USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot -166:sc= 0.561 USER MOD Set 1.2: B 105 A O2' : rot 15:sc= 0.869 USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 MET CE :methyl 142:sc= -0.53 (180deg=-3.31!) USER MOD Set 3.1: A 22 THR OG1 : rot -64:sc= 1.38 USER MOD Set 3.2: A 25 THR OG1 : rot -150:sc= 1.48 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.012 (180deg=-0.197) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc=-0.000662 USER MOD Single : A 13 MET CE :methyl -174:sc= -0.204 (180deg=-0.379) USER MOD Single : A 14 THR OG1 : rot -120:sc= 0.00634 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 1.86 (180deg=0.765) USER MOD Single : A 20 ASN : amide:sc= 1.1 K(o=1.1,f=-0.019) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 31:sc= 0.617 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.458 USER MOD Single : A 51 THR OG1 : rot 149:sc= 0.454 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 72:sc= 1.26 USER MOD Single : A 63 HIS : no HD1:sc= 0.715 K(o=0.71,f=-3.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -142:sc= 0 (180deg=-1.11) USER MOD Single : A 88 GLN : amide:sc= -0.21 K(o=-0.21,f=-2) USER MOD Single : A 89 MET CE :methyl 155:sc= -0.0238 (180deg=-0.53) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 141:sc= 0.0122 USER MOD Single : A 99 HIS : no HD1:sc= -0.537 X(o=-0.54,f=-0.12) USER MOD Single : A 100 HIS : no HD1:sc= 0.166 K(o=0.17,f=-3.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 139:sc= 0.202 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 C O2' : rot 16:sc= 0.208 USER MOD Single : B 104 C O2' : rot 81:sc= 1.32 USER MOD Single : B 106 G O2' : rot -43:sc= 0.642 USER MOD Single : B 107 U O2' : rot 140:sc= -0.0181 USER MOD Single : B 107 U O3' : rot 35:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.983 21.558 5.342 1.00 0.00 N ATOM 2 CA MET A 1 -5.516 20.475 4.490 1.00 0.00 C ATOM 3 C MET A 1 -4.384 19.790 3.740 1.00 0.00 C ATOM 4 O MET A 1 -3.617 20.455 3.045 1.00 0.00 O ATOM 5 CB MET A 1 -6.558 21.002 3.501 1.00 0.00 C ATOM 6 CG MET A 1 -7.809 21.492 4.233 1.00 0.00 C ATOM 7 SD MET A 1 -8.667 20.197 5.166 1.00 0.00 S ATOM 8 CE MET A 1 -10.057 21.180 5.785 1.00 0.00 C ATOM 0 H1 MET A 1 -5.713 21.858 6.019 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.150 21.213 5.861 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.710 22.366 4.746 1.00 0.00 H new ATOM 0 HA MET A 1 -6.006 19.750 5.140 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.131 21.817 2.917 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.829 20.214 2.798 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.528 22.293 4.917 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.499 21.921 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.708 20.549 6.391 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.679 22.002 6.393 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.622 21.582 4.944 1.00 0.00 H new ATOM 18 N SER A 2 -4.288 18.467 3.880 1.00 0.00 N ATOM 19 CA SER A 2 -3.262 17.667 3.222 1.00 0.00 C ATOM 20 C SER A 2 -3.811 16.299 2.803 1.00 0.00 C ATOM 21 O SER A 2 -3.054 15.446 2.341 1.00 0.00 O ATOM 22 CB SER A 2 -2.066 17.490 4.160 1.00 0.00 C ATOM 23 OG SER A 2 -1.544 18.743 4.554 1.00 0.00 O ATOM 0 H SER A 2 -4.926 17.920 4.458 1.00 0.00 H new ATOM 0 HA SER A 2 -2.943 18.191 2.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.370 16.925 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.290 16.909 3.661 1.00 0.00 H new ATOM 0 HG SER A 2 -0.782 18.606 5.154 1.00 0.00 H new ATOM 29 N TYR A 3 -5.122 16.091 2.964 1.00 0.00 N ATOM 30 CA TYR A 3 -5.783 14.840 2.629 1.00 0.00 C ATOM 31 C TYR A 3 -7.166 15.118 2.056 1.00 0.00 C ATOM 32 O TYR A 3 -7.611 16.263 2.019 1.00 0.00 O ATOM 33 CB TYR A 3 -5.903 13.963 3.880 1.00 0.00 C ATOM 34 CG TYR A 3 -4.559 13.682 4.508 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.807 12.581 4.072 1.00 0.00 C ATOM 36 CD2 TYR A 3 -4.059 14.536 5.500 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.532 12.349 4.609 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.783 14.315 6.031 1.00 0.00 C ATOM 39 CZ TYR A 3 -2.011 13.227 5.581 1.00 0.00 C ATOM 40 OH TYR A 3 -0.757 13.031 6.076 1.00 0.00 O ATOM 0 H TYR A 3 -5.755 16.799 3.335 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.189 14.315 1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.547 14.457 4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.384 13.021 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.209 11.913 3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.657 15.363 5.854 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.951 11.500 4.279 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.390 14.979 6.786 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.553 13.726 6.736 1.00 0.00 H new ATOM 50 N GLY A 4 -7.844 14.064 1.605 1.00 0.00 N ATOM 51 CA GLY A 4 -9.167 14.187 1.023 1.00 0.00 C ATOM 52 C GLY A 4 -9.905 12.857 1.066 1.00 0.00 C ATOM 53 O GLY A 4 -9.298 11.814 1.309 1.00 0.00 O ATOM 0 H GLY A 4 -7.489 13.108 1.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.738 14.942 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.084 14.528 -0.009 1.00 0.00 H new ATOM 57 N ARG A 5 -11.219 12.901 0.833 1.00 0.00 N ATOM 58 CA ARG A 5 -12.074 11.730 0.857 1.00 0.00 C ATOM 59 C ARG A 5 -11.668 10.731 -0.227 1.00 0.00 C ATOM 60 O ARG A 5 -11.077 11.112 -1.236 1.00 0.00 O ATOM 61 CB ARG A 5 -13.528 12.173 0.668 1.00 0.00 C ATOM 62 CG ARG A 5 -13.755 12.787 -0.712 1.00 0.00 C ATOM 63 CD ARG A 5 -15.159 13.377 -0.796 1.00 0.00 C ATOM 64 NE ARG A 5 -15.432 13.919 -2.131 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.794 13.180 -3.186 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.931 11.859 -3.075 1.00 0.00 N ATOM 67 NH2 ARG A 5 -16.020 13.763 -4.359 1.00 0.00 N ATOM 0 H ARG A 5 -11.717 13.765 0.621 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.967 11.228 1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.190 11.317 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.790 12.899 1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.014 13.563 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.624 12.028 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.893 12.608 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.269 14.166 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.340 14.926 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.759 11.402 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.207 11.305 -3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.917 14.773 -4.455 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.296 13.200 -5.164 1.00 0.00 H new ATOM 81 N PRO A 6 -11.994 9.449 -0.014 1.00 0.00 N ATOM 82 CA PRO A 6 -11.829 8.390 -0.990 1.00 0.00 C ATOM 83 C PRO A 6 -12.463 8.768 -2.333 1.00 0.00 C ATOM 84 O PRO A 6 -13.383 9.584 -2.372 1.00 0.00 O ATOM 85 CB PRO A 6 -12.525 7.173 -0.377 1.00 0.00 C ATOM 86 CG PRO A 6 -12.452 7.435 1.125 1.00 0.00 C ATOM 87 CD PRO A 6 -12.557 8.954 1.224 1.00 0.00 C ATOM 0 HA PRO A 6 -10.778 8.195 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.556 7.087 -0.719 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.021 6.245 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.263 6.940 1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.519 7.068 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.593 9.271 1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.008 9.332 2.086 1.00 0.00 H new ATOM 95 N PRO A 7 -11.984 8.182 -3.440 1.00 0.00 N ATOM 96 CA PRO A 7 -12.496 8.460 -4.769 1.00 0.00 C ATOM 97 C PRO A 7 -13.886 7.840 -4.949 1.00 0.00 C ATOM 98 O PRO A 7 -14.268 6.953 -4.190 1.00 0.00 O ATOM 99 CB PRO A 7 -11.482 7.835 -5.725 1.00 0.00 C ATOM 100 CG PRO A 7 -10.905 6.673 -4.913 1.00 0.00 C ATOM 101 CD PRO A 7 -10.906 7.215 -3.484 1.00 0.00 C ATOM 0 HA PRO A 7 -12.613 9.528 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.955 7.488 -6.644 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.709 8.547 -6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.516 5.775 -5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.900 6.410 -5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.066 6.415 -2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.951 7.680 -3.239 1.00 0.00 H new ATOM 109 N PRO A 8 -14.650 8.301 -5.948 1.00 0.00 N ATOM 110 CA PRO A 8 -15.969 7.776 -6.260 1.00 0.00 C ATOM 111 C PRO A 8 -15.858 6.402 -6.917 1.00 0.00 C ATOM 112 O PRO A 8 -14.768 5.980 -7.299 1.00 0.00 O ATOM 113 CB PRO A 8 -16.579 8.799 -7.224 1.00 0.00 C ATOM 114 CG PRO A 8 -15.358 9.355 -7.953 1.00 0.00 C ATOM 115 CD PRO A 8 -14.289 9.370 -6.862 1.00 0.00 C ATOM 0 HA PRO A 8 -16.583 7.640 -5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.283 8.334 -7.913 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.122 9.580 -6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.068 8.726 -8.794 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.544 10.353 -8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.297 9.208 -7.283 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.265 10.332 -6.350 1.00 0.00 H new ATOM 123 N ASP A 9 -16.997 5.711 -7.049 1.00 0.00 N ATOM 124 CA ASP A 9 -17.089 4.395 -7.673 1.00 0.00 C ATOM 125 C ASP A 9 -16.130 3.388 -7.039 1.00 0.00 C ATOM 126 O ASP A 9 -15.769 2.399 -7.674 1.00 0.00 O ATOM 127 CB ASP A 9 -16.878 4.521 -9.185 1.00 0.00 C ATOM 128 CG ASP A 9 -17.894 5.475 -9.814 1.00 0.00 C ATOM 129 OD1 ASP A 9 -19.105 5.154 -9.749 1.00 0.00 O ATOM 130 OD2 ASP A 9 -17.458 6.517 -10.354 1.00 0.00 O ATOM 0 H ASP A 9 -17.895 6.062 -6.717 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.090 4.002 -7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.868 4.880 -9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.964 3.538 -9.649 1.00 0.00 H new ATOM 135 N VAL A 10 -15.721 3.633 -5.788 1.00 0.00 N ATOM 136 CA VAL A 10 -14.810 2.746 -5.081 1.00 0.00 C ATOM 137 C VAL A 10 -15.404 1.345 -4.922 1.00 0.00 C ATOM 138 O VAL A 10 -14.680 0.378 -4.702 1.00 0.00 O ATOM 139 CB VAL A 10 -14.442 3.367 -3.727 1.00 0.00 C ATOM 140 CG1 VAL A 10 -15.670 3.484 -2.818 1.00 0.00 C ATOM 141 CG2 VAL A 10 -13.369 2.545 -3.009 1.00 0.00 C ATOM 0 H VAL A 10 -16.014 4.447 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.900 2.630 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.051 4.363 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -15.377 3.927 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.419 4.115 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.089 2.493 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.131 3.012 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.740 1.535 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.471 2.502 -3.625 1.00 0.00 H new ATOM 151 N GLU A 11 -16.733 1.226 -5.037 1.00 0.00 N ATOM 152 CA GLU A 11 -17.441 -0.047 -4.953 1.00 0.00 C ATOM 153 C GLU A 11 -17.231 -0.886 -6.216 1.00 0.00 C ATOM 154 O GLU A 11 -17.809 -1.964 -6.346 1.00 0.00 O ATOM 155 CB GLU A 11 -18.934 0.219 -4.750 1.00 0.00 C ATOM 156 CG GLU A 11 -19.153 1.082 -3.509 1.00 0.00 C ATOM 157 CD GLU A 11 -20.641 1.299 -3.246 1.00 0.00 C ATOM 158 OE1 GLU A 11 -21.234 0.447 -2.545 1.00 0.00 O ATOM 159 OE2 GLU A 11 -21.171 2.313 -3.748 1.00 0.00 O ATOM 0 H GLU A 11 -17.349 2.024 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.043 -0.608 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.344 0.720 -5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.468 -0.725 -4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.694 0.604 -2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.660 2.045 -3.640 1.00 0.00 H new ATOM 166 N GLY A 12 -16.410 -0.391 -7.146 1.00 0.00 N ATOM 167 CA GLY A 12 -16.140 -1.044 -8.419 1.00 0.00 C ATOM 168 C GLY A 12 -14.671 -0.919 -8.816 1.00 0.00 C ATOM 169 O GLY A 12 -14.350 -0.972 -10.003 1.00 0.00 O ATOM 0 H GLY A 12 -15.909 0.489 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.411 -2.098 -8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.766 -0.602 -9.195 1.00 0.00 H new ATOM 173 N MET A 13 -13.779 -0.753 -7.834 1.00 0.00 N ATOM 174 CA MET A 13 -12.348 -0.630 -8.071 1.00 0.00 C ATOM 175 C MET A 13 -11.564 -1.429 -7.029 1.00 0.00 C ATOM 176 O MET A 13 -12.139 -1.943 -6.073 1.00 0.00 O ATOM 177 CB MET A 13 -11.931 0.843 -8.017 1.00 0.00 C ATOM 178 CG MET A 13 -12.576 1.650 -9.142 1.00 0.00 C ATOM 179 SD MET A 13 -11.926 3.335 -9.313 1.00 0.00 S ATOM 180 CE MET A 13 -12.302 3.986 -7.667 1.00 0.00 C ATOM 0 H MET A 13 -14.037 -0.701 -6.849 1.00 0.00 H new ATOM 0 HA MET A 13 -12.125 -1.029 -9.061 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.216 1.268 -7.054 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.846 0.918 -8.090 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.432 1.120 -10.083 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.651 1.703 -8.967 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.064 5.049 -7.633 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.361 3.844 -7.453 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.707 3.457 -6.922 1.00 0.00 H new ATOM 190 N THR A 14 -10.247 -1.531 -7.227 1.00 0.00 N ATOM 191 CA THR A 14 -9.351 -2.231 -6.315 1.00 0.00 C ATOM 192 C THR A 14 -9.364 -1.562 -4.943 1.00 0.00 C ATOM 193 O THR A 14 -9.842 -0.437 -4.795 1.00 0.00 O ATOM 194 CB THR A 14 -7.941 -2.253 -6.915 1.00 0.00 C ATOM 195 OG1 THR A 14 -8.030 -2.613 -8.276 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.010 -3.248 -6.221 1.00 0.00 C ATOM 0 H THR A 14 -9.773 -1.125 -8.033 1.00 0.00 H new ATOM 0 HA THR A 14 -9.688 -3.259 -6.180 1.00 0.00 H new ATOM 0 HB THR A 14 -7.522 -1.256 -6.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.517 -3.434 -8.432 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.027 -3.216 -6.692 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.916 -2.985 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.422 -4.253 -6.309 1.00 0.00 H new ATOM 203 N SER A 15 -8.834 -2.254 -3.931 1.00 0.00 N ATOM 204 CA SER A 15 -8.854 -1.782 -2.552 1.00 0.00 C ATOM 205 C SER A 15 -7.652 -2.321 -1.783 1.00 0.00 C ATOM 206 O SER A 15 -7.806 -2.906 -0.715 1.00 0.00 O ATOM 207 CB SER A 15 -10.168 -2.202 -1.887 1.00 0.00 C ATOM 208 OG SER A 15 -10.343 -3.601 -1.978 1.00 0.00 O ATOM 0 H SER A 15 -8.379 -3.159 -4.050 1.00 0.00 H new ATOM 0 HA SER A 15 -8.790 -0.694 -2.543 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.167 -1.897 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.004 -1.693 -2.366 1.00 0.00 H new ATOM 0 HG SER A 15 -11.186 -3.854 -1.547 1.00 0.00 H new ATOM 214 N LEU A 16 -6.443 -2.131 -2.320 1.00 0.00 N ATOM 215 CA LEU A 16 -5.246 -2.618 -1.655 1.00 0.00 C ATOM 216 C LEU A 16 -5.060 -1.837 -0.360 1.00 0.00 C ATOM 217 O LEU A 16 -5.442 -0.672 -0.326 1.00 0.00 O ATOM 218 CB LEU A 16 -4.037 -2.378 -2.561 1.00 0.00 C ATOM 219 CG LEU A 16 -2.760 -3.010 -1.994 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.817 -4.532 -2.108 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.554 -2.517 -2.786 1.00 0.00 C ATOM 0 H LEU A 16 -6.275 -1.649 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.340 -3.683 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.237 -2.790 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.886 -1.306 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.674 -2.726 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.902 -4.962 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.674 -4.907 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.915 -4.815 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.646 -2.966 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.666 -2.800 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.487 -1.432 -2.709 1.00 0.00 H new ATOM 233 N LYS A 17 -4.480 -2.447 0.679 1.00 0.00 N ATOM 234 CA LYS A 17 -4.074 -1.686 1.846 1.00 0.00 C ATOM 235 C LYS A 17 -2.624 -1.947 2.243 1.00 0.00 C ATOM 236 O LYS A 17 -2.011 -2.901 1.769 1.00 0.00 O ATOM 237 CB LYS A 17 -5.056 -1.849 3.009 1.00 0.00 C ATOM 238 CG LYS A 17 -4.768 -2.981 4.005 1.00 0.00 C ATOM 239 CD LYS A 17 -5.720 -2.763 5.190 1.00 0.00 C ATOM 240 CE LYS A 17 -5.417 -3.672 6.381 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.113 -3.357 6.993 1.00 0.00 N ATOM 0 H LYS A 17 -4.287 -3.447 0.729 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.112 -0.634 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.087 -0.910 3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.051 -2.007 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.935 -3.955 3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.728 -2.957 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.659 -1.723 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.745 -2.936 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.204 -3.567 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.424 -4.712 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.159 -3.531 8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.377 -3.960 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.881 -2.358 6.822 1.00 0.00 H new ATOM 255 N VAL A 18 -2.086 -1.090 3.116 1.00 0.00 N ATOM 256 CA VAL A 18 -0.695 -1.116 3.546 1.00 0.00 C ATOM 257 C VAL A 18 -0.620 -0.798 5.034 1.00 0.00 C ATOM 258 O VAL A 18 -1.310 0.112 5.490 1.00 0.00 O ATOM 259 CB VAL A 18 0.051 -0.018 2.792 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.482 0.129 3.299 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.048 -0.233 1.280 1.00 0.00 C ATOM 0 H VAL A 18 -2.625 -0.341 3.551 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.262 -2.097 3.351 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.491 0.907 2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.986 0.919 2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.468 0.384 4.359 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.016 -0.811 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.593 0.578 0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.529 -1.183 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.980 -0.247 0.917 1.00 0.00 H new ATOM 271 N ASP A 19 0.211 -1.538 5.773 1.00 0.00 N ATOM 272 CA ASP A 19 0.337 -1.406 7.219 1.00 0.00 C ATOM 273 C ASP A 19 1.710 -1.861 7.735 1.00 0.00 C ATOM 274 O ASP A 19 2.552 -2.320 6.962 1.00 0.00 O ATOM 275 CB ASP A 19 -0.786 -2.213 7.880 1.00 0.00 C ATOM 276 CG ASP A 19 -0.794 -3.682 7.473 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.388 -3.982 6.414 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.209 -4.489 8.224 1.00 0.00 O ATOM 0 H ASP A 19 0.820 -2.253 5.375 1.00 0.00 H new ATOM 0 HA ASP A 19 0.250 -0.351 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.684 -2.144 8.963 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.746 -1.766 7.621 1.00 0.00 H new ATOM 283 N ASN A 20 1.917 -1.730 9.055 1.00 0.00 N ATOM 284 CA ASN A 20 3.083 -2.209 9.800 1.00 0.00 C ATOM 285 C ASN A 20 4.276 -1.240 9.783 1.00 0.00 C ATOM 286 O ASN A 20 5.421 -1.673 9.880 1.00 0.00 O ATOM 287 CB ASN A 20 3.476 -3.628 9.364 1.00 0.00 C ATOM 288 CG ASN A 20 4.052 -4.415 10.537 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.305 -4.997 11.316 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.372 -4.443 10.675 1.00 0.00 N ATOM 0 H ASN A 20 1.239 -1.263 9.658 1.00 0.00 H new ATOM 0 HA ASN A 20 2.776 -2.253 10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.603 -4.146 8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.210 -3.576 8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.793 -4.960 11.447 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.965 -3.948 10.009 1.00 0.00 H new ATOM 297 N LEU A 21 4.023 0.071 9.655 1.00 0.00 N ATOM 298 CA LEU A 21 5.061 1.097 9.644 1.00 0.00 C ATOM 299 C LEU A 21 5.901 1.104 10.930 1.00 0.00 C ATOM 300 O LEU A 21 5.642 0.339 11.858 1.00 0.00 O ATOM 301 CB LEU A 21 4.434 2.475 9.374 1.00 0.00 C ATOM 302 CG LEU A 21 3.249 2.867 10.266 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.485 2.640 11.755 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.920 4.346 10.079 1.00 0.00 C ATOM 0 H LEU A 21 3.080 0.446 9.556 1.00 0.00 H new ATOM 0 HA LEU A 21 5.752 0.858 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.210 3.232 9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.105 2.504 8.335 1.00 0.00 H new ATOM 0 HG LEU A 21 2.431 2.218 9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.600 2.943 12.314 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.684 1.584 11.935 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.340 3.231 12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.078 4.615 10.716 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.787 4.949 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.660 4.532 9.037 1.00 0.00 H new ATOM 316 N THR A 22 6.912 1.979 10.971 1.00 0.00 N ATOM 317 CA THR A 22 7.806 2.104 12.118 1.00 0.00 C ATOM 318 C THR A 22 7.355 3.227 13.050 1.00 0.00 C ATOM 319 O THR A 22 6.485 4.022 12.704 1.00 0.00 O ATOM 320 CB THR A 22 9.236 2.411 11.667 1.00 0.00 C ATOM 321 OG1 THR A 22 9.334 3.751 11.234 1.00 0.00 O ATOM 322 CG2 THR A 22 9.694 1.495 10.541 1.00 0.00 C ATOM 0 H THR A 22 7.130 2.619 10.207 1.00 0.00 H new ATOM 0 HA THR A 22 7.776 1.151 12.645 1.00 0.00 H new ATOM 0 HB THR A 22 9.882 2.243 12.528 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.775 3.880 10.440 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.714 1.751 10.255 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.661 0.459 10.879 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.035 1.618 9.681 1.00 0.00 H new ATOM 329 N TYR A 23 7.960 3.287 14.239 1.00 0.00 N ATOM 330 CA TYR A 23 7.688 4.328 15.221 1.00 0.00 C ATOM 331 C TYR A 23 8.226 5.692 14.770 1.00 0.00 C ATOM 332 O TYR A 23 8.190 6.651 15.541 1.00 0.00 O ATOM 333 CB TYR A 23 8.289 3.913 16.565 1.00 0.00 C ATOM 334 CG TYR A 23 9.800 3.871 16.586 1.00 0.00 C ATOM 335 CD1 TYR A 23 10.487 2.747 16.093 1.00 0.00 C ATOM 336 CD2 TYR A 23 10.521 4.959 17.104 1.00 0.00 C ATOM 337 CE1 TYR A 23 11.888 2.714 16.114 1.00 0.00 C ATOM 338 CE2 TYR A 23 11.921 4.930 17.131 1.00 0.00 C ATOM 339 CZ TYR A 23 12.612 3.809 16.631 1.00 0.00 C ATOM 340 OH TYR A 23 13.974 3.779 16.651 1.00 0.00 O ATOM 0 H TYR A 23 8.657 2.608 14.545 1.00 0.00 H new ATOM 0 HA TYR A 23 6.609 4.440 15.325 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.946 4.607 17.333 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.906 2.928 16.832 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.934 1.908 15.698 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.994 5.822 17.483 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.413 1.850 15.734 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.471 5.767 17.535 1.00 0.00 H new ATOM 0 HH TYR A 23 14.314 4.613 17.038 1.00 0.00 H new ATOM 350 N ARG A 24 8.725 5.785 13.532 1.00 0.00 N ATOM 351 CA ARG A 24 9.288 7.008 12.969 1.00 0.00 C ATOM 352 C ARG A 24 8.661 7.345 11.617 1.00 0.00 C ATOM 353 O ARG A 24 8.937 8.409 11.066 1.00 0.00 O ATOM 354 CB ARG A 24 10.807 6.837 12.811 1.00 0.00 C ATOM 355 CG ARG A 24 11.528 6.580 14.130 1.00 0.00 C ATOM 356 CD ARG A 24 11.345 7.745 15.099 1.00 0.00 C ATOM 357 NE ARG A 24 11.923 8.987 14.575 1.00 0.00 N ATOM 358 CZ ARG A 24 11.657 10.203 15.056 1.00 0.00 C ATOM 359 NH1 ARG A 24 10.814 10.362 16.073 1.00 0.00 N ATOM 360 NH2 ARG A 24 12.236 11.272 14.517 1.00 0.00 N ATOM 0 H ARG A 24 8.747 4.996 12.886 1.00 0.00 H new ATOM 0 HA ARG A 24 9.071 7.832 13.649 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.003 6.008 12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.220 7.733 12.348 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.147 5.665 14.583 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.590 6.424 13.942 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.283 7.892 15.293 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.813 7.501 16.053 1.00 0.00 H new ATOM 0 HE ARG A 24 12.571 8.917 13.791 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.363 9.549 16.494 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.619 11.296 16.432 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.883 11.162 13.736 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.033 12.202 14.884 1.00 0.00 H new ATOM 374 N THR A 25 7.824 6.452 11.079 1.00 0.00 N ATOM 375 CA THR A 25 7.119 6.686 9.826 1.00 0.00 C ATOM 376 C THR A 25 6.023 7.732 10.036 1.00 0.00 C ATOM 377 O THR A 25 5.646 8.024 11.172 1.00 0.00 O ATOM 378 CB THR A 25 6.528 5.364 9.332 1.00 0.00 C ATOM 379 OG1 THR A 25 7.539 4.381 9.272 1.00 0.00 O ATOM 380 CG2 THR A 25 5.924 5.487 7.933 1.00 0.00 C ATOM 0 H THR A 25 7.620 5.548 11.504 1.00 0.00 H new ATOM 0 HA THR A 25 7.810 7.066 9.073 1.00 0.00 H new ATOM 0 HB THR A 25 5.743 5.089 10.036 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.330 3.740 8.561 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.518 4.523 7.626 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.127 6.230 7.945 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.697 5.796 7.229 1.00 0.00 H new ATOM 387 N SER A 26 5.512 8.296 8.940 1.00 0.00 N ATOM 388 CA SER A 26 4.464 9.304 8.968 1.00 0.00 C ATOM 389 C SER A 26 3.525 9.083 7.783 1.00 0.00 C ATOM 390 O SER A 26 3.895 8.422 6.818 1.00 0.00 O ATOM 391 CB SER A 26 5.104 10.693 8.878 1.00 0.00 C ATOM 392 OG SER A 26 5.926 10.926 10.003 1.00 0.00 O ATOM 0 H SER A 26 5.822 8.059 7.998 1.00 0.00 H new ATOM 0 HA SER A 26 3.895 9.229 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.694 10.771 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.328 11.456 8.822 1.00 0.00 H new ATOM 0 HG SER A 26 6.331 11.816 9.934 1.00 0.00 H new ATOM 398 N PRO A 27 2.304 9.627 7.825 1.00 0.00 N ATOM 399 CA PRO A 27 1.380 9.511 6.713 1.00 0.00 C ATOM 400 C PRO A 27 1.845 10.359 5.528 1.00 0.00 C ATOM 401 O PRO A 27 1.396 10.150 4.401 1.00 0.00 O ATOM 402 CB PRO A 27 0.040 9.991 7.261 1.00 0.00 C ATOM 403 CG PRO A 27 0.438 10.970 8.366 1.00 0.00 C ATOM 404 CD PRO A 27 1.724 10.370 8.927 1.00 0.00 C ATOM 0 HA PRO A 27 1.313 8.491 6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.558 10.477 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.554 9.164 7.651 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.601 11.974 7.973 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.335 11.049 9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.402 11.148 9.278 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.518 9.719 9.777 1.00 0.00 H new ATOM 412 N ASP A 28 2.748 11.319 5.769 1.00 0.00 N ATOM 413 CA ASP A 28 3.298 12.153 4.708 1.00 0.00 C ATOM 414 C ASP A 28 4.262 11.346 3.846 1.00 0.00 C ATOM 415 O ASP A 28 4.229 11.450 2.615 1.00 0.00 O ATOM 416 CB ASP A 28 4.037 13.337 5.332 1.00 0.00 C ATOM 417 CG ASP A 28 3.095 14.213 6.156 1.00 0.00 C ATOM 418 OD1 ASP A 28 2.481 15.123 5.555 1.00 0.00 O ATOM 419 OD2 ASP A 28 2.998 13.962 7.379 1.00 0.00 O ATOM 0 H ASP A 28 3.111 11.533 6.698 1.00 0.00 H new ATOM 0 HA ASP A 28 2.484 12.514 4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.843 12.970 5.967 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.497 13.935 4.546 1.00 0.00 H new ATOM 424 N THR A 29 5.124 10.536 4.472 1.00 0.00 N ATOM 425 CA THR A 29 6.046 9.710 3.709 1.00 0.00 C ATOM 426 C THR A 29 5.244 8.701 2.924 1.00 0.00 C ATOM 427 O THR A 29 5.434 8.597 1.718 1.00 0.00 O ATOM 428 CB THR A 29 7.034 8.933 4.588 1.00 0.00 C ATOM 429 OG1 THR A 29 6.474 8.629 5.847 1.00 0.00 O ATOM 430 CG2 THR A 29 8.293 9.770 4.803 1.00 0.00 C ATOM 0 H THR A 29 5.197 10.440 5.485 1.00 0.00 H new ATOM 0 HA THR A 29 6.622 10.381 3.071 1.00 0.00 H new ATOM 0 HB THR A 29 7.275 8.001 4.077 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.505 8.517 5.755 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.995 9.218 5.428 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.756 9.985 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.028 10.706 5.295 1.00 0.00 H new ATOM 437 N LEU A 30 4.351 7.957 3.584 1.00 0.00 N ATOM 438 CA LEU A 30 3.664 6.872 2.909 1.00 0.00 C ATOM 439 C LEU A 30 2.902 7.375 1.685 1.00 0.00 C ATOM 440 O LEU A 30 2.717 6.618 0.736 1.00 0.00 O ATOM 441 CB LEU A 30 2.744 6.143 3.876 1.00 0.00 C ATOM 442 CG LEU A 30 3.532 5.599 5.067 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.532 5.188 6.144 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.342 4.373 4.660 1.00 0.00 C ATOM 0 H LEU A 30 4.096 8.088 4.563 1.00 0.00 H new ATOM 0 HA LEU A 30 4.412 6.163 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.967 6.822 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.243 5.324 3.361 1.00 0.00 H new ATOM 0 HG LEU A 30 4.216 6.366 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.068 4.795 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.945 6.055 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.868 4.419 5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.896 4.000 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.669 3.596 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.041 4.645 3.869 1.00 0.00 H new ATOM 456 N ARG A 31 2.461 8.636 1.677 1.00 0.00 N ATOM 457 CA ARG A 31 1.831 9.195 0.494 1.00 0.00 C ATOM 458 C ARG A 31 2.836 9.250 -0.650 1.00 0.00 C ATOM 459 O ARG A 31 2.521 8.807 -1.750 1.00 0.00 O ATOM 460 CB ARG A 31 1.280 10.589 0.825 1.00 0.00 C ATOM 461 CG ARG A 31 0.925 11.395 -0.429 1.00 0.00 C ATOM 462 CD ARG A 31 -0.112 10.692 -1.306 1.00 0.00 C ATOM 463 NE ARG A 31 -0.188 11.331 -2.625 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.176 12.125 -3.046 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.214 12.411 -2.264 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.113 12.637 -4.270 1.00 0.00 N ATOM 0 H ARG A 31 2.530 9.276 2.468 1.00 0.00 H new ATOM 0 HA ARG A 31 1.001 8.563 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.393 10.486 1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.019 11.138 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.542 12.372 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.829 11.570 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.152 9.641 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.088 10.725 -0.823 1.00 0.00 H new ATOM 0 HE ARG A 31 0.578 11.154 -3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.266 12.021 -1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.958 13.020 -2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.319 12.422 -4.873 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.859 13.245 -4.607 1.00 0.00 H new ATOM 480 N ARG A 32 4.037 9.780 -0.408 1.00 0.00 N ATOM 481 CA ARG A 32 5.004 10.006 -1.483 1.00 0.00 C ATOM 482 C ARG A 32 5.768 8.735 -1.847 1.00 0.00 C ATOM 483 O ARG A 32 5.971 8.449 -3.024 1.00 0.00 O ATOM 484 CB ARG A 32 5.979 11.085 -1.019 1.00 0.00 C ATOM 485 CG ARG A 32 7.002 11.413 -2.109 1.00 0.00 C ATOM 486 CD ARG A 32 7.971 12.474 -1.586 1.00 0.00 C ATOM 487 NE ARG A 32 8.965 12.829 -2.605 1.00 0.00 N ATOM 488 CZ ARG A 32 9.928 13.740 -2.426 1.00 0.00 C ATOM 489 NH1 ARG A 32 10.043 14.398 -1.276 1.00 0.00 N ATOM 490 NH2 ARG A 32 10.787 13.997 -3.408 1.00 0.00 N ATOM 0 H ARG A 32 4.361 10.059 0.518 1.00 0.00 H new ATOM 0 HA ARG A 32 4.468 10.320 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.427 11.986 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.496 10.749 -0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.548 10.514 -2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.495 11.776 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.416 13.364 -1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.476 12.102 -0.695 1.00 0.00 H new ATOM 0 HE ARG A 32 8.919 12.352 -3.505 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.391 14.211 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.783 15.090 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.711 13.500 -4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.522 14.691 -3.274 1.00 0.00 H new ATOM 504 N VAL A 33 6.196 7.969 -0.841 1.00 0.00 N ATOM 505 CA VAL A 33 6.980 6.756 -1.029 1.00 0.00 C ATOM 506 C VAL A 33 6.162 5.670 -1.725 1.00 0.00 C ATOM 507 O VAL A 33 6.745 4.784 -2.346 1.00 0.00 O ATOM 508 CB VAL A 33 7.513 6.269 0.325 1.00 0.00 C ATOM 509 CG1 VAL A 33 8.295 7.373 1.045 1.00 0.00 C ATOM 510 CG2 VAL A 33 6.368 5.734 1.173 1.00 0.00 C ATOM 0 H VAL A 33 6.003 8.180 0.138 1.00 0.00 H new ATOM 0 HA VAL A 33 7.827 6.984 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 33 8.214 5.453 0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.659 6.997 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.141 7.680 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.642 8.228 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.755 5.390 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.637 6.526 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.890 4.902 0.656 1.00 0.00 H new ATOM 520 N PHE A 34 4.825 5.725 -1.640 1.00 0.00 N ATOM 521 CA PHE A 34 3.964 4.807 -2.381 1.00 0.00 C ATOM 522 C PHE A 34 3.436 5.423 -3.674 1.00 0.00 C ATOM 523 O PHE A 34 2.969 4.697 -4.550 1.00 0.00 O ATOM 524 CB PHE A 34 2.779 4.378 -1.515 1.00 0.00 C ATOM 525 CG PHE A 34 3.112 3.251 -0.565 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.697 3.508 0.677 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.840 1.931 -0.951 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.048 2.448 1.524 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.174 0.868 -0.103 1.00 0.00 C ATOM 530 CZ PHE A 34 3.795 1.125 1.124 1.00 0.00 C ATOM 0 H PHE A 34 4.321 6.398 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 34 4.575 3.943 -2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.427 5.236 -0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.958 4.069 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.879 4.527 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.372 1.734 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.511 2.647 2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.953 -0.148 -0.395 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.081 0.304 1.765 1.00 0.00 H new ATOM 540 N GLU A 35 3.505 6.748 -3.816 1.00 0.00 N ATOM 541 CA GLU A 35 3.031 7.425 -5.021 1.00 0.00 C ATOM 542 C GLU A 35 3.773 6.943 -6.274 1.00 0.00 C ATOM 543 O GLU A 35 3.265 7.065 -7.387 1.00 0.00 O ATOM 544 CB GLU A 35 3.179 8.940 -4.846 1.00 0.00 C ATOM 545 CG GLU A 35 2.570 9.719 -6.009 1.00 0.00 C ATOM 546 CD GLU A 35 2.468 11.204 -5.669 1.00 0.00 C ATOM 547 OE1 GLU A 35 3.445 11.931 -5.961 1.00 0.00 O ATOM 548 OE2 GLU A 35 1.416 11.596 -5.117 1.00 0.00 O ATOM 0 H GLU A 35 3.887 7.374 -3.107 1.00 0.00 H new ATOM 0 HA GLU A 35 1.979 7.179 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.699 9.245 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.236 9.192 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.181 9.586 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.580 9.325 -6.239 1.00 0.00 H new ATOM 555 N LYS A 36 4.980 6.393 -6.104 1.00 0.00 N ATOM 556 CA LYS A 36 5.799 5.930 -7.218 1.00 0.00 C ATOM 557 C LYS A 36 5.295 4.614 -7.804 1.00 0.00 C ATOM 558 O LYS A 36 5.588 4.295 -8.954 1.00 0.00 O ATOM 559 CB LYS A 36 7.238 5.781 -6.733 1.00 0.00 C ATOM 560 CG LYS A 36 7.435 4.570 -5.820 1.00 0.00 C ATOM 561 CD LYS A 36 8.893 4.461 -5.363 1.00 0.00 C ATOM 562 CE LYS A 36 9.301 5.683 -4.535 1.00 0.00 C ATOM 563 NZ LYS A 36 10.693 5.561 -4.066 1.00 0.00 N ATOM 0 H LYS A 36 5.412 6.259 -5.190 1.00 0.00 H new ATOM 0 HA LYS A 36 5.740 6.667 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.899 5.691 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.532 6.684 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.783 4.655 -4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.146 3.661 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.026 3.555 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.545 4.372 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.193 6.586 -5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.633 5.787 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.946 6.401 -3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.787 4.711 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.330 5.485 -4.885 1.00 0.00 H new ATOM 577 N TYR A 37 4.534 3.854 -7.013 1.00 0.00 N ATOM 578 CA TYR A 37 3.989 2.573 -7.445 1.00 0.00 C ATOM 579 C TYR A 37 2.700 2.767 -8.232 1.00 0.00 C ATOM 580 O TYR A 37 2.267 1.866 -8.945 1.00 0.00 O ATOM 581 CB TYR A 37 3.708 1.694 -6.228 1.00 0.00 C ATOM 582 CG TYR A 37 4.955 1.316 -5.478 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.530 2.225 -4.583 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.542 0.063 -5.684 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.703 1.888 -3.897 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.713 -0.284 -4.997 1.00 0.00 C ATOM 587 CZ TYR A 37 7.307 0.630 -4.107 1.00 0.00 C ATOM 588 OH TYR A 37 8.454 0.302 -3.449 1.00 0.00 O ATOM 0 H TYR A 37 4.281 4.112 -6.059 1.00 0.00 H new ATOM 0 HA TYR A 37 4.724 2.091 -8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.031 2.220 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.196 0.788 -6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.068 3.188 -4.421 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.093 -0.637 -6.373 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.146 2.591 -3.207 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.161 -1.255 -5.151 1.00 0.00 H new ATOM 0 HH TYR A 37 8.734 -0.601 -3.709 1.00 0.00 H new ATOM 598 N GLY A 38 2.084 3.946 -8.110 1.00 0.00 N ATOM 599 CA GLY A 38 0.835 4.227 -8.779 1.00 0.00 C ATOM 600 C GLY A 38 -0.060 5.106 -7.919 1.00 0.00 C ATOM 601 O GLY A 38 0.395 5.784 -6.999 1.00 0.00 O ATOM 0 H GLY A 38 2.442 4.718 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.031 4.722 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.322 3.292 -9.006 1.00 0.00 H new ATOM 605 N ARG A 39 -1.351 5.072 -8.248 1.00 0.00 N ATOM 606 CA ARG A 39 -2.405 5.832 -7.604 1.00 0.00 C ATOM 607 C ARG A 39 -2.542 5.494 -6.120 1.00 0.00 C ATOM 608 O ARG A 39 -3.284 4.595 -5.726 1.00 0.00 O ATOM 609 CB ARG A 39 -3.709 5.652 -8.393 1.00 0.00 C ATOM 610 CG ARG A 39 -4.300 4.239 -8.306 1.00 0.00 C ATOM 611 CD ARG A 39 -5.267 3.997 -9.463 1.00 0.00 C ATOM 612 NE ARG A 39 -4.529 3.792 -10.714 1.00 0.00 N ATOM 613 CZ ARG A 39 -5.010 4.040 -11.935 1.00 0.00 C ATOM 614 NH1 ARG A 39 -6.248 4.503 -12.105 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.242 3.831 -13.001 1.00 0.00 N ATOM 0 H ARG A 39 -1.699 4.485 -9.006 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.144 6.890 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.446 6.366 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.525 5.894 -9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.499 3.500 -8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.820 4.113 -7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.886 3.125 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.940 4.848 -9.566 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.577 3.433 -10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.844 4.673 -11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.599 4.687 -13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.290 3.483 -12.884 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.605 4.019 -13.936 1.00 0.00 H new ATOM 629 N VAL A 40 -1.810 6.232 -5.287 1.00 0.00 N ATOM 630 CA VAL A 40 -1.945 6.239 -3.836 1.00 0.00 C ATOM 631 C VAL A 40 -3.241 6.983 -3.498 1.00 0.00 C ATOM 632 O VAL A 40 -3.264 7.942 -2.731 1.00 0.00 O ATOM 633 CB VAL A 40 -0.687 6.863 -3.226 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.399 8.241 -3.821 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.758 6.925 -1.700 1.00 0.00 C ATOM 0 H VAL A 40 -1.081 6.863 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.022 5.238 -3.412 1.00 0.00 H new ATOM 0 HB VAL A 40 0.145 6.208 -3.484 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.501 8.654 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.251 8.149 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.241 8.905 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.156 7.375 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.615 7.528 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.865 5.917 -1.299 1.00 0.00 H new ATOM 645 N GLY A 41 -4.337 6.519 -4.102 1.00 0.00 N ATOM 646 CA GLY A 41 -5.655 7.138 -4.035 1.00 0.00 C ATOM 647 C GLY A 41 -6.171 7.316 -2.610 1.00 0.00 C ATOM 648 O GLY A 41 -7.148 8.031 -2.402 1.00 0.00 O ATOM 0 H GLY A 41 -4.327 5.672 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.616 8.112 -4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.363 6.528 -4.596 1.00 0.00 H new ATOM 652 N ASP A 42 -5.527 6.678 -1.630 1.00 0.00 N ATOM 653 CA ASP A 42 -5.886 6.812 -0.228 1.00 0.00 C ATOM 654 C ASP A 42 -4.644 6.639 0.638 1.00 0.00 C ATOM 655 O ASP A 42 -3.743 5.870 0.306 1.00 0.00 O ATOM 656 CB ASP A 42 -6.912 5.743 0.142 1.00 0.00 C ATOM 657 CG ASP A 42 -8.346 6.200 -0.065 1.00 0.00 C ATOM 658 OD1 ASP A 42 -8.811 7.018 0.758 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.966 5.724 -1.041 1.00 0.00 O ATOM 0 H ASP A 42 -4.739 6.052 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.312 7.801 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.731 4.851 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.774 5.460 1.186 1.00 0.00 H new ATOM 664 N VAL A 43 -4.618 7.362 1.756 1.00 0.00 N ATOM 665 CA VAL A 43 -3.543 7.301 2.731 1.00 0.00 C ATOM 666 C VAL A 43 -4.117 7.738 4.076 1.00 0.00 C ATOM 667 O VAL A 43 -4.577 8.869 4.225 1.00 0.00 O ATOM 668 CB VAL A 43 -2.349 8.146 2.269 1.00 0.00 C ATOM 669 CG1 VAL A 43 -2.754 9.533 1.759 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.317 8.280 3.390 1.00 0.00 C ATOM 0 H VAL A 43 -5.358 8.016 2.009 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.154 6.288 2.836 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.907 7.615 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.864 10.080 1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.430 9.426 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.257 10.081 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.478 8.883 3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.777 8.762 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.959 7.291 3.675 1.00 0.00 H new ATOM 680 N TYR A 44 -4.096 6.830 5.059 1.00 0.00 N ATOM 681 CA TYR A 44 -4.733 7.062 6.344 1.00 0.00 C ATOM 682 C TYR A 44 -3.995 6.356 7.475 1.00 0.00 C ATOM 683 O TYR A 44 -3.135 5.514 7.223 1.00 0.00 O ATOM 684 CB TYR A 44 -6.181 6.579 6.259 1.00 0.00 C ATOM 685 CG TYR A 44 -7.082 7.271 7.257 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.382 8.627 7.078 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.602 6.569 8.353 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.197 9.294 7.999 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.428 7.229 9.276 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.719 8.597 9.105 1.00 0.00 C ATOM 691 OH TYR A 44 -9.499 9.257 10.004 1.00 0.00 O ATOM 0 H TYR A 44 -3.638 5.922 4.979 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.705 8.128 6.569 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.560 6.752 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.212 5.503 6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.983 9.159 6.227 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.368 5.523 8.487 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.425 10.341 7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.840 6.689 10.116 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.594 8.715 10.815 1.00 0.00 H new ATOM 701 N ILE A 45 -4.342 6.698 8.722 1.00 0.00 N ATOM 702 CA ILE A 45 -3.814 6.059 9.922 1.00 0.00 C ATOM 703 C ILE A 45 -4.963 5.951 10.926 1.00 0.00 C ATOM 704 O ILE A 45 -5.267 6.921 11.617 1.00 0.00 O ATOM 705 CB ILE A 45 -2.617 6.839 10.495 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.419 6.713 9.545 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.249 6.283 11.876 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.204 7.516 10.012 1.00 0.00 C ATOM 0 H ILE A 45 -5.011 7.441 8.923 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.433 5.065 9.688 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.886 7.891 10.596 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.142 5.663 9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.712 7.052 8.551 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.401 6.838 12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.101 6.385 12.548 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.983 5.230 11.785 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.612 7.388 9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.468 8.572 10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.111 7.161 10.993 1.00 0.00 H new ATOM 720 N PRO A 46 -5.599 4.773 11.002 1.00 0.00 N ATOM 721 CA PRO A 46 -6.695 4.441 11.911 1.00 0.00 C ATOM 722 C PRO A 46 -6.448 4.650 13.402 1.00 0.00 C ATOM 723 O PRO A 46 -7.229 4.147 14.211 1.00 0.00 O ATOM 724 CB PRO A 46 -6.977 2.959 11.661 1.00 0.00 C ATOM 725 CG PRO A 46 -6.524 2.740 10.225 1.00 0.00 C ATOM 726 CD PRO A 46 -5.300 3.640 10.145 1.00 0.00 C ATOM 0 HA PRO A 46 -7.516 5.124 11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.426 2.324 12.355 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.034 2.726 11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.278 1.696 10.028 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.291 3.028 9.506 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.405 3.117 10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.114 3.961 9.120 1.00 0.00 H new ATOM 734 N ARG A 47 -5.393 5.366 13.795 1.00 0.00 N ATOM 735 CA ARG A 47 -5.095 5.571 15.207 1.00 0.00 C ATOM 736 C ARG A 47 -6.275 6.257 15.895 1.00 0.00 C ATOM 737 O ARG A 47 -7.096 6.889 15.233 1.00 0.00 O ATOM 738 CB ARG A 47 -3.792 6.359 15.371 1.00 0.00 C ATOM 739 CG ARG A 47 -3.941 7.827 14.964 1.00 0.00 C ATOM 740 CD ARG A 47 -2.572 8.502 15.032 1.00 0.00 C ATOM 741 NE ARG A 47 -2.672 9.928 14.697 1.00 0.00 N ATOM 742 CZ ARG A 47 -1.631 10.767 14.655 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.396 10.343 14.916 1.00 0.00 N ATOM 744 NH2 ARG A 47 -1.827 12.046 14.342 1.00 0.00 N ATOM 0 H ARG A 47 -4.735 5.811 13.155 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.947 4.605 15.690 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.466 6.304 16.410 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.012 5.895 14.767 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.347 7.899 13.955 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.644 8.332 15.627 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.156 8.388 16.033 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.885 8.010 14.343 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.596 10.303 14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.232 9.364 15.153 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.386 10.997 14.879 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.768 12.382 14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.037 12.690 14.309 1.00 0.00 H new ATOM 758 N ASP A 48 -6.363 6.134 17.223 1.00 0.00 N ATOM 759 CA ASP A 48 -7.489 6.673 17.976 1.00 0.00 C ATOM 760 C ASP A 48 -7.745 8.133 17.614 1.00 0.00 C ATOM 761 O ASP A 48 -6.850 8.975 17.674 1.00 0.00 O ATOM 762 CB ASP A 48 -7.237 6.530 19.474 1.00 0.00 C ATOM 763 CG ASP A 48 -6.957 5.076 19.844 1.00 0.00 C ATOM 764 OD1 ASP A 48 -5.788 4.667 19.668 1.00 0.00 O ATOM 765 OD2 ASP A 48 -7.910 4.402 20.294 1.00 0.00 O ATOM 0 H ASP A 48 -5.663 5.663 17.796 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.379 6.102 17.712 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.391 7.153 19.765 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.104 6.890 20.028 1.00 0.00 H new ATOM 770 N ARG A 49 -8.994 8.420 17.235 1.00 0.00 N ATOM 771 CA ARG A 49 -9.440 9.726 16.762 1.00 0.00 C ATOM 772 C ARG A 49 -9.419 10.797 17.855 1.00 0.00 C ATOM 773 O ARG A 49 -9.749 11.949 17.590 1.00 0.00 O ATOM 774 CB ARG A 49 -10.843 9.520 16.168 1.00 0.00 C ATOM 775 CG ARG A 49 -11.443 10.772 15.525 1.00 0.00 C ATOM 776 CD ARG A 49 -12.742 10.368 14.840 1.00 0.00 C ATOM 777 NE ARG A 49 -13.389 11.498 14.173 1.00 0.00 N ATOM 778 CZ ARG A 49 -14.519 12.079 14.576 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.143 11.700 15.683 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.042 13.068 13.857 1.00 0.00 N ATOM 0 H ARG A 49 -9.742 7.727 17.251 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.753 10.108 16.007 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.796 8.728 15.420 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.512 9.174 16.956 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.631 11.536 16.279 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.748 11.201 14.803 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.537 9.585 14.109 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.424 9.945 15.578 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.941 11.870 13.335 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.760 10.945 16.252 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.006 12.164 15.966 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.579 13.378 13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.906 13.517 14.160 1.00 0.00 H new ATOM 794 N TYR A 50 -9.036 10.441 19.088 1.00 0.00 N ATOM 795 CA TYR A 50 -9.083 11.385 20.202 1.00 0.00 C ATOM 796 C TYR A 50 -7.900 11.246 21.159 1.00 0.00 C ATOM 797 O TYR A 50 -7.702 12.113 22.013 1.00 0.00 O ATOM 798 CB TYR A 50 -10.369 11.174 21.005 1.00 0.00 C ATOM 799 CG TYR A 50 -11.582 10.825 20.179 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.221 11.798 19.399 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.066 9.510 20.201 1.00 0.00 C ATOM 802 CE1 TYR A 50 -13.342 11.455 18.633 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.183 9.158 19.438 1.00 0.00 C ATOM 804 CZ TYR A 50 -13.827 10.130 18.647 1.00 0.00 C ATOM 805 OH TYR A 50 -14.913 9.792 17.894 1.00 0.00 O ATOM 0 H TYR A 50 -8.693 9.512 19.334 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.045 12.381 19.760 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.201 10.379 21.731 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.581 12.082 21.570 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.849 12.812 19.389 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.574 8.766 20.810 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.835 12.204 18.032 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.552 8.143 19.455 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.114 8.841 18.018 1.00 0.00 H new ATOM 815 N THR A 51 -7.114 10.172 21.037 1.00 0.00 N ATOM 816 CA THR A 51 -6.017 9.893 21.957 1.00 0.00 C ATOM 817 C THR A 51 -4.773 9.419 21.209 1.00 0.00 C ATOM 818 O THR A 51 -3.743 9.176 21.838 1.00 0.00 O ATOM 819 CB THR A 51 -6.458 8.842 22.982 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.723 7.632 22.316 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.728 9.279 23.713 1.00 0.00 C ATOM 0 H THR A 51 -7.223 9.476 20.299 1.00 0.00 H new ATOM 0 HA THR A 51 -5.759 10.816 22.475 1.00 0.00 H new ATOM 0 HB THR A 51 -5.656 8.720 23.710 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.517 6.880 22.910 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.015 8.513 24.433 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.542 10.217 24.236 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.533 9.419 22.992 1.00 0.00 H new ATOM 828 N LYS A 52 -4.873 9.294 19.875 1.00 0.00 N ATOM 829 CA LYS A 52 -3.804 8.894 18.965 1.00 0.00 C ATOM 830 C LYS A 52 -2.792 7.933 19.594 1.00 0.00 C ATOM 831 O LYS A 52 -1.592 8.200 19.571 1.00 0.00 O ATOM 832 CB LYS A 52 -3.135 10.120 18.324 1.00 0.00 C ATOM 833 CG LYS A 52 -2.630 11.135 19.355 1.00 0.00 C ATOM 834 CD LYS A 52 -3.702 12.172 19.685 1.00 0.00 C ATOM 835 CE LYS A 52 -3.347 12.827 21.014 1.00 0.00 C ATOM 836 NZ LYS A 52 -4.317 13.880 21.375 1.00 0.00 N ATOM 0 H LYS A 52 -5.748 9.480 19.385 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.275 8.320 18.167 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.299 9.790 17.708 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.847 10.609 17.659 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.332 10.614 20.265 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.742 11.637 18.970 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.759 12.922 18.896 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.682 11.698 19.746 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.321 12.070 21.798 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.347 13.257 20.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.046 14.305 22.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.323 14.614 20.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.267 13.464 21.457 1.00 0.00 H new ATOM 850 N GLU A 53 -3.270 6.816 20.157 1.00 0.00 N ATOM 851 CA GLU A 53 -2.422 5.873 20.879 1.00 0.00 C ATOM 852 C GLU A 53 -2.349 4.510 20.183 1.00 0.00 C ATOM 853 O GLU A 53 -1.928 3.531 20.794 1.00 0.00 O ATOM 854 CB GLU A 53 -2.889 5.753 22.333 1.00 0.00 C ATOM 855 CG GLU A 53 -4.288 5.140 22.438 1.00 0.00 C ATOM 856 CD GLU A 53 -4.715 4.988 23.895 1.00 0.00 C ATOM 857 OE1 GLU A 53 -4.174 4.085 24.572 1.00 0.00 O ATOM 858 OE2 GLU A 53 -5.584 5.779 24.328 1.00 0.00 O ATOM 0 H GLU A 53 -4.253 6.546 20.122 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.404 6.264 20.879 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.182 5.140 22.891 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.890 6.740 22.796 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.004 5.769 21.910 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.299 4.166 21.949 1.00 0.00 H new ATOM 865 N SER A 54 -2.751 4.444 18.910 1.00 0.00 N ATOM 866 CA SER A 54 -2.677 3.226 18.109 1.00 0.00 C ATOM 867 C SER A 54 -1.979 3.506 16.783 1.00 0.00 C ATOM 868 O SER A 54 -2.227 2.842 15.776 1.00 0.00 O ATOM 869 CB SER A 54 -4.070 2.634 17.887 1.00 0.00 C ATOM 870 OG SER A 54 -4.682 2.328 19.121 1.00 0.00 O ATOM 0 H SER A 54 -3.139 5.242 18.406 1.00 0.00 H new ATOM 0 HA SER A 54 -2.088 2.488 18.654 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.688 3.342 17.334 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.995 1.733 17.279 1.00 0.00 H new ATOM 0 HG SER A 54 -4.936 3.159 19.575 1.00 0.00 H new ATOM 876 N ARG A 55 -1.091 4.503 16.797 1.00 0.00 N ATOM 877 CA ARG A 55 -0.285 4.934 15.657 1.00 0.00 C ATOM 878 C ARG A 55 0.723 3.875 15.205 1.00 0.00 C ATOM 879 O ARG A 55 1.575 4.161 14.365 1.00 0.00 O ATOM 880 CB ARG A 55 0.427 6.229 16.055 1.00 0.00 C ATOM 881 CG ARG A 55 1.511 5.964 17.111 1.00 0.00 C ATOM 882 CD ARG A 55 2.155 7.275 17.563 1.00 0.00 C ATOM 883 NE ARG A 55 1.219 8.097 18.346 1.00 0.00 N ATOM 884 CZ ARG A 55 1.515 9.303 18.834 1.00 0.00 C ATOM 885 NH1 ARG A 55 2.703 9.860 18.612 1.00 0.00 N ATOM 886 NH2 ARG A 55 0.611 9.961 19.552 1.00 0.00 N ATOM 0 H ARG A 55 -0.908 5.052 17.637 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.942 5.096 14.802 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.878 6.685 15.174 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.299 6.941 16.446 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.073 5.453 17.969 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.273 5.301 16.700 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.039 7.059 18.162 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.491 7.836 16.691 1.00 0.00 H new ATOM 0 HE ARG A 55 0.288 7.722 18.527 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.404 9.364 18.061 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.913 10.783 18.993 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.303 9.544 19.727 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.831 10.883 19.928 1.00 0.00 H new ATOM 900 N GLY A 56 0.631 2.664 15.753 1.00 0.00 N ATOM 901 CA GLY A 56 1.561 1.575 15.479 1.00 0.00 C ATOM 902 C GLY A 56 1.450 1.026 14.055 1.00 0.00 C ATOM 903 O GLY A 56 2.212 0.133 13.689 1.00 0.00 O ATOM 0 H GLY A 56 -0.106 2.410 16.411 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.579 1.926 15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.381 0.766 16.187 1.00 0.00 H new ATOM 907 N PHE A 57 0.517 1.537 13.248 1.00 0.00 N ATOM 908 CA PHE A 57 0.362 1.103 11.868 1.00 0.00 C ATOM 909 C PHE A 57 -0.292 2.190 11.016 1.00 0.00 C ATOM 910 O PHE A 57 -0.538 3.299 11.489 1.00 0.00 O ATOM 911 CB PHE A 57 -0.432 -0.205 11.826 1.00 0.00 C ATOM 912 CG PHE A 57 -1.925 -0.012 11.917 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.509 0.491 13.088 1.00 0.00 C ATOM 914 CD2 PHE A 57 -2.725 -0.330 10.812 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.897 0.658 13.154 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.108 -0.139 10.872 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.702 0.337 12.051 1.00 0.00 C ATOM 0 H PHE A 57 -0.145 2.258 13.535 1.00 0.00 H new ATOM 0 HA PHE A 57 1.348 0.921 11.441 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.199 -0.732 10.901 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.107 -0.844 12.647 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.891 0.748 13.935 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.273 -0.723 9.913 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.350 1.036 14.058 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.721 -0.358 10.010 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.774 0.456 12.109 1.00 0.00 H new ATOM 927 N ALA A 58 -0.574 1.862 9.750 1.00 0.00 N ATOM 928 CA ALA A 58 -1.158 2.789 8.799 1.00 0.00 C ATOM 929 C ALA A 58 -2.134 2.064 7.875 1.00 0.00 C ATOM 930 O ALA A 58 -2.357 0.862 8.009 1.00 0.00 O ATOM 931 CB ALA A 58 -0.032 3.440 7.993 1.00 0.00 C ATOM 0 H ALA A 58 -0.398 0.935 9.362 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.716 3.559 9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.457 4.140 7.274 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.636 3.975 8.668 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.528 2.670 7.463 1.00 0.00 H new ATOM 937 N PHE A 59 -2.716 2.806 6.929 1.00 0.00 N ATOM 938 CA PHE A 59 -3.699 2.284 6.000 1.00 0.00 C ATOM 939 C PHE A 59 -3.632 3.036 4.668 1.00 0.00 C ATOM 940 O PHE A 59 -4.548 3.781 4.322 1.00 0.00 O ATOM 941 CB PHE A 59 -5.082 2.396 6.646 1.00 0.00 C ATOM 942 CG PHE A 59 -6.168 1.535 6.035 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.084 1.068 4.712 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.275 1.196 6.820 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.089 0.240 4.192 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.283 0.382 6.295 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.191 -0.108 4.987 1.00 0.00 C ATOM 0 H PHE A 59 -2.510 3.796 6.792 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.493 1.236 5.781 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.991 2.138 7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.401 3.437 6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.243 1.348 4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.351 1.563 7.833 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.015 -0.130 3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.139 0.129 6.903 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.964 -0.750 4.592 1.00 0.00 H new ATOM 957 N VAL A 60 -2.546 2.849 3.909 1.00 0.00 N ATOM 958 CA VAL A 60 -2.476 3.407 2.556 1.00 0.00 C ATOM 959 C VAL A 60 -3.316 2.509 1.652 1.00 0.00 C ATOM 960 O VAL A 60 -3.538 1.355 2.011 1.00 0.00 O ATOM 961 CB VAL A 60 -1.030 3.466 2.051 1.00 0.00 C ATOM 962 CG1 VAL A 60 -0.927 4.269 0.757 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.113 4.112 3.082 1.00 0.00 C ATOM 0 H VAL A 60 -1.720 2.327 4.201 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.855 4.429 2.554 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.720 2.436 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.111 4.292 0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.544 3.802 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.275 5.287 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.906 4.140 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.452 5.128 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.136 3.531 4.004 1.00 0.00 H new ATOM 973 N ARG A 61 -3.782 2.998 0.498 1.00 0.00 N ATOM 974 CA ARG A 61 -4.575 2.173 -0.409 1.00 0.00 C ATOM 975 C ARG A 61 -4.444 2.596 -1.872 1.00 0.00 C ATOM 976 O ARG A 61 -4.115 3.740 -2.186 1.00 0.00 O ATOM 977 CB ARG A 61 -6.041 2.195 0.056 1.00 0.00 C ATOM 978 CG ARG A 61 -7.042 1.927 -1.078 1.00 0.00 C ATOM 979 CD ARG A 61 -8.483 1.833 -0.581 1.00 0.00 C ATOM 980 NE ARG A 61 -8.902 3.049 0.130 1.00 0.00 N ATOM 981 CZ ARG A 61 -8.939 3.153 1.462 1.00 0.00 C ATOM 982 NH1 ARG A 61 -8.523 2.148 2.223 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.391 4.260 2.046 1.00 0.00 N ATOM 0 H ARG A 61 -3.624 3.953 0.175 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.189 1.154 -0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.178 1.447 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.259 3.165 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.968 2.724 -1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.774 0.998 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.148 1.661 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.582 0.973 0.082 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.180 3.859 -0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.173 1.292 1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.553 2.231 3.239 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.714 5.042 1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.414 4.327 3.064 1.00 0.00 H new ATOM 997 N PHE A 62 -4.718 1.628 -2.754 1.00 0.00 N ATOM 998 CA PHE A 62 -4.732 1.802 -4.208 1.00 0.00 C ATOM 999 C PHE A 62 -6.071 1.356 -4.791 1.00 0.00 C ATOM 1000 O PHE A 62 -6.821 0.620 -4.148 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.617 0.972 -4.845 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.217 1.390 -4.458 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.748 1.161 -3.159 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.388 2.004 -5.405 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.450 1.546 -2.804 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.085 2.383 -5.055 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.384 2.145 -3.758 1.00 0.00 C ATOM 0 H PHE A 62 -4.942 0.676 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.579 2.859 -4.424 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.758 -0.073 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.713 1.032 -5.929 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.388 0.687 -2.430 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.753 2.185 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.092 1.382 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.555 2.857 -5.784 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.393 2.424 -3.491 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.361 1.812 -6.019 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.631 1.572 -6.685 1.00 0.00 C ATOM 1019 C HIS A 63 -7.473 0.967 -8.081 1.00 0.00 C ATOM 1020 O HIS A 63 -8.418 0.979 -8.867 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.433 2.875 -6.744 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.788 3.410 -5.382 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.994 3.179 -4.717 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -7.986 4.190 -4.604 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.886 3.835 -3.552 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.697 4.452 -3.453 1.00 0.00 N ATOM 0 H HIS A 63 -5.707 2.363 -6.576 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.172 0.831 -6.096 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.856 3.626 -7.284 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.348 2.707 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.991 4.535 -4.842 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -10.654 3.863 -2.793 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -8.377 5.015 -2.665 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.292 0.432 -8.411 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.108 -0.291 -9.664 1.00 0.00 C ATOM 1036 C ASP A 64 -5.188 -1.485 -9.427 1.00 0.00 C ATOM 1037 O ASP A 64 -4.177 -1.372 -8.732 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.552 0.646 -10.733 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.492 -0.049 -12.090 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.663 -0.974 -12.229 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.276 0.346 -12.981 1.00 0.00 O ATOM 0 H ASP A 64 -5.457 0.488 -7.828 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.067 -0.664 -10.022 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.178 1.536 -10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.555 0.980 -10.447 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.547 -2.632 -10.009 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.868 -3.893 -9.757 1.00 0.00 C ATOM 1048 C LYS A 65 -3.410 -3.882 -10.205 1.00 0.00 C ATOM 1049 O LYS A 65 -2.595 -4.578 -9.608 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.627 -5.036 -10.433 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.617 -4.901 -11.959 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.357 -6.059 -12.629 1.00 0.00 C ATOM 1053 CE LYS A 65 -7.829 -6.058 -12.220 1.00 0.00 C ATOM 1054 NZ LYS A 65 -8.570 -7.150 -12.881 1.00 0.00 N ATOM 0 H LYS A 65 -6.320 -2.706 -10.670 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.859 -4.044 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.178 -5.988 -10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.657 -5.050 -10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.081 -3.957 -12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.588 -4.871 -12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.274 -5.974 -13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.895 -7.005 -12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.908 -6.165 -11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.280 -5.100 -12.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.566 -7.123 -12.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.514 -7.033 -13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.153 -8.064 -12.613 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.061 -3.113 -11.243 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.701 -3.159 -11.769 1.00 0.00 C ATOM 1070 C ARG A 66 -0.752 -2.456 -10.804 1.00 0.00 C ATOM 1071 O ARG A 66 0.352 -2.939 -10.552 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.675 -2.554 -13.180 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.543 -1.028 -13.184 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.940 -0.462 -14.544 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.400 -0.432 -14.670 1.00 0.00 N ATOM 1076 CZ ARG A 66 -4.065 -0.171 -15.794 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.424 0.039 -16.940 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.394 -0.120 -15.760 1.00 0.00 N ATOM 0 H ARG A 66 -3.688 -2.467 -11.723 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.360 -4.191 -11.856 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.843 -2.985 -13.737 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.589 -2.834 -13.704 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.176 -0.600 -12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.516 -0.745 -12.951 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.536 0.544 -14.660 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.511 -1.071 -15.340 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.949 -0.626 -13.832 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.405 0.002 -16.969 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.951 0.237 -17.790 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.888 -0.280 -14.882 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.919 0.079 -16.612 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.196 -1.320 -10.261 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.414 -0.559 -9.300 1.00 0.00 C ATOM 1094 C ASP A 67 -0.404 -1.295 -7.968 1.00 0.00 C ATOM 1095 O ASP A 67 0.561 -1.201 -7.209 1.00 0.00 O ATOM 1096 CB ASP A 67 -1.048 0.823 -9.110 1.00 0.00 C ATOM 1097 CG ASP A 67 -1.089 1.641 -10.398 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -0.218 1.416 -11.264 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -2.004 2.491 -10.509 1.00 0.00 O ATOM 0 H ASP A 67 -2.104 -0.908 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 67 0.607 -0.445 -9.665 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.062 0.702 -8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.488 1.373 -8.354 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.484 -2.031 -7.683 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.636 -2.728 -6.424 1.00 0.00 C ATOM 1106 C ALA A 68 -0.808 -4.012 -6.374 1.00 0.00 C ATOM 1107 O ALA A 68 -0.236 -4.334 -5.333 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.113 -3.068 -6.227 1.00 0.00 C ATOM 0 H ALA A 68 -2.268 -2.153 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.277 -2.076 -5.628 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.242 -3.594 -5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.699 -2.149 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.452 -3.704 -7.045 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.727 -4.751 -7.484 1.00 0.00 N ATOM 1115 CA GLU A 69 0.043 -5.984 -7.490 1.00 0.00 C ATOM 1116 C GLU A 69 1.533 -5.685 -7.411 1.00 0.00 C ATOM 1117 O GLU A 69 2.273 -6.464 -6.819 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.263 -6.814 -8.735 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.653 -7.446 -8.649 1.00 0.00 C ATOM 1120 CD GLU A 69 -1.941 -8.319 -9.870 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.603 -9.522 -9.812 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -2.497 -7.778 -10.853 1.00 0.00 O ATOM 0 H GLU A 69 -1.177 -4.519 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.245 -6.563 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.202 -6.182 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.488 -7.595 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.726 -8.048 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.407 -6.663 -8.573 1.00 0.00 H new ATOM 1129 N ASP A 70 1.987 -4.572 -7.999 1.00 0.00 N ATOM 1130 CA ASP A 70 3.392 -4.199 -7.868 1.00 0.00 C ATOM 1131 C ASP A 70 3.676 -3.691 -6.456 1.00 0.00 C ATOM 1132 O ASP A 70 4.731 -3.977 -5.888 1.00 0.00 O ATOM 1133 CB ASP A 70 3.729 -3.093 -8.868 1.00 0.00 C ATOM 1134 CG ASP A 70 3.799 -3.596 -10.307 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.999 -4.816 -10.496 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.649 -2.745 -11.216 1.00 0.00 O ATOM 0 H ASP A 70 1.418 -3.933 -8.554 1.00 0.00 H new ATOM 0 HA ASP A 70 4.004 -5.079 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.977 -2.306 -8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.685 -2.645 -8.598 1.00 0.00 H new ATOM 1141 N ALA A 71 2.730 -2.940 -5.885 1.00 0.00 N ATOM 1142 CA ALA A 71 2.911 -2.354 -4.571 1.00 0.00 C ATOM 1143 C ALA A 71 3.161 -3.424 -3.514 1.00 0.00 C ATOM 1144 O ALA A 71 3.916 -3.175 -2.580 1.00 0.00 O ATOM 1145 CB ALA A 71 1.687 -1.514 -4.214 1.00 0.00 C ATOM 0 H ALA A 71 1.832 -2.728 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 71 3.792 -1.712 -4.595 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.823 -1.074 -3.226 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.563 -0.721 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.800 -2.147 -4.210 1.00 0.00 H new ATOM 1151 N MET A 72 2.552 -4.605 -3.641 1.00 0.00 N ATOM 1152 CA MET A 72 2.781 -5.654 -2.649 1.00 0.00 C ATOM 1153 C MET A 72 3.966 -6.521 -3.060 1.00 0.00 C ATOM 1154 O MET A 72 4.643 -7.080 -2.200 1.00 0.00 O ATOM 1155 CB MET A 72 1.524 -6.509 -2.474 1.00 0.00 C ATOM 1156 CG MET A 72 1.236 -7.296 -3.743 1.00 0.00 C ATOM 1157 SD MET A 72 -0.286 -8.268 -3.720 1.00 0.00 S ATOM 1158 CE MET A 72 -0.045 -9.157 -5.279 1.00 0.00 C ATOM 0 H MET A 72 1.915 -4.854 -4.398 1.00 0.00 H new ATOM 0 HA MET A 72 3.011 -5.184 -1.693 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.656 -7.194 -1.636 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.673 -5.871 -2.233 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.190 -6.600 -4.580 1.00 0.00 H new ATOM 0 HG3 MET A 72 2.074 -7.967 -3.932 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.001 -9.257 -5.793 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.650 -8.603 -5.910 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.362 -10.147 -5.074 1.00 0.00 H new ATOM 1168 N ASP A 73 4.229 -6.640 -4.365 1.00 0.00 N ATOM 1169 CA ASP A 73 5.353 -7.424 -4.856 1.00 0.00 C ATOM 1170 C ASP A 73 6.688 -6.777 -4.484 1.00 0.00 C ATOM 1171 O ASP A 73 7.741 -7.388 -4.655 1.00 0.00 O ATOM 1172 CB ASP A 73 5.223 -7.588 -6.372 1.00 0.00 C ATOM 1173 CG ASP A 73 6.320 -8.481 -6.943 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.337 -9.677 -6.574 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.132 -7.964 -7.741 1.00 0.00 O ATOM 0 H ASP A 73 3.673 -6.199 -5.098 1.00 0.00 H new ATOM 0 HA ASP A 73 5.335 -8.407 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.248 -8.014 -6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.267 -6.609 -6.848 1.00 0.00 H new ATOM 1180 N ALA A 74 6.656 -5.538 -3.973 1.00 0.00 N ATOM 1181 CA ALA A 74 7.868 -4.819 -3.616 1.00 0.00 C ATOM 1182 C ALA A 74 7.821 -4.162 -2.235 1.00 0.00 C ATOM 1183 O ALA A 74 8.837 -3.640 -1.784 1.00 0.00 O ATOM 1184 CB ALA A 74 8.092 -3.765 -4.688 1.00 0.00 C ATOM 0 H ALA A 74 5.795 -5.019 -3.800 1.00 0.00 H new ATOM 0 HA ALA A 74 8.687 -5.536 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.995 -3.199 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.204 -4.250 -5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.238 -3.089 -4.717 1.00 0.00 H new ATOM 1190 N MET A 75 6.669 -4.180 -1.556 1.00 0.00 N ATOM 1191 CA MET A 75 6.576 -3.691 -0.179 1.00 0.00 C ATOM 1192 C MET A 75 6.132 -4.774 0.801 1.00 0.00 C ATOM 1193 O MET A 75 6.460 -4.678 1.982 1.00 0.00 O ATOM 1194 CB MET A 75 5.589 -2.530 -0.079 1.00 0.00 C ATOM 1195 CG MET A 75 6.043 -1.246 -0.773 1.00 0.00 C ATOM 1196 SD MET A 75 6.969 -0.128 0.308 1.00 0.00 S ATOM 1197 CE MET A 75 6.806 1.412 -0.632 1.00 0.00 C ATOM 0 H MET A 75 5.790 -4.528 -1.938 1.00 0.00 H new ATOM 0 HA MET A 75 7.581 -3.365 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.637 -2.842 -0.508 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.408 -2.314 0.974 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.664 -1.506 -1.630 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.168 -0.723 -1.160 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.674 2.247 0.057 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.705 1.571 -1.228 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.941 1.346 -1.291 1.00 0.00 H new ATOM 1207 N ASP A 76 5.392 -5.803 0.369 1.00 0.00 N ATOM 1208 CA ASP A 76 4.970 -6.827 1.317 1.00 0.00 C ATOM 1209 C ASP A 76 6.172 -7.658 1.751 1.00 0.00 C ATOM 1210 O ASP A 76 6.889 -8.216 0.920 1.00 0.00 O ATOM 1211 CB ASP A 76 3.896 -7.726 0.702 1.00 0.00 C ATOM 1212 CG ASP A 76 3.349 -8.699 1.743 1.00 0.00 C ATOM 1213 OD1 ASP A 76 2.942 -8.215 2.822 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.343 -9.917 1.452 1.00 0.00 O ATOM 0 H ASP A 76 5.085 -5.942 -0.594 1.00 0.00 H new ATOM 0 HA ASP A 76 4.542 -6.337 2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.085 -7.114 0.306 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.315 -8.281 -0.137 1.00 0.00 H new ATOM 1219 N GLY A 77 6.391 -7.736 3.063 1.00 0.00 N ATOM 1220 CA GLY A 77 7.486 -8.500 3.640 1.00 0.00 C ATOM 1221 C GLY A 77 8.801 -7.724 3.623 1.00 0.00 C ATOM 1222 O GLY A 77 9.822 -8.240 4.075 1.00 0.00 O ATOM 0 H GLY A 77 5.808 -7.267 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.238 -8.769 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.608 -9.431 3.087 1.00 0.00 H new ATOM 1226 N ALA A 78 8.788 -6.488 3.107 1.00 0.00 N ATOM 1227 CA ALA A 78 9.968 -5.639 3.054 1.00 0.00 C ATOM 1228 C ALA A 78 10.337 -5.127 4.449 1.00 0.00 C ATOM 1229 O ALA A 78 9.713 -5.499 5.444 1.00 0.00 O ATOM 1230 CB ALA A 78 9.694 -4.476 2.101 1.00 0.00 C ATOM 0 H ALA A 78 7.952 -6.054 2.715 1.00 0.00 H new ATOM 0 HA ALA A 78 10.816 -6.218 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.571 -3.831 2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.473 -4.865 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.841 -3.902 2.464 1.00 0.00 H new ATOM 1236 N VAL A 79 11.357 -4.266 4.516 1.00 0.00 N ATOM 1237 CA VAL A 79 11.854 -3.700 5.766 1.00 0.00 C ATOM 1238 C VAL A 79 12.059 -2.198 5.577 1.00 0.00 C ATOM 1239 O VAL A 79 12.460 -1.756 4.500 1.00 0.00 O ATOM 1240 CB VAL A 79 13.170 -4.393 6.155 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.796 -3.772 7.402 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.934 -5.884 6.403 1.00 0.00 C ATOM 0 H VAL A 79 11.864 -3.941 3.693 1.00 0.00 H new ATOM 0 HA VAL A 79 11.136 -3.860 6.570 1.00 0.00 H new ATOM 0 HB VAL A 79 13.860 -4.258 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.724 -4.292 7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.008 -2.719 7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.104 -3.861 8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.875 -6.361 6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.215 -6.009 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.544 -6.346 5.496 1.00 0.00 H new ATOM 1252 N LEU A 80 11.786 -1.418 6.631 1.00 0.00 N ATOM 1253 CA LEU A 80 11.917 0.033 6.592 1.00 0.00 C ATOM 1254 C LEU A 80 13.116 0.481 7.429 1.00 0.00 C ATOM 1255 O LEU A 80 13.979 1.205 6.937 1.00 0.00 O ATOM 1256 CB LEU A 80 10.614 0.630 7.138 1.00 0.00 C ATOM 1257 CG LEU A 80 10.350 2.107 6.820 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.439 3.040 7.340 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.205 2.322 5.315 1.00 0.00 C ATOM 0 H LEU A 80 11.469 -1.780 7.530 1.00 0.00 H new ATOM 0 HA LEU A 80 12.088 0.377 5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.781 0.044 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.611 0.509 8.221 1.00 0.00 H new ATOM 0 HG LEU A 80 9.421 2.354 7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.190 4.069 7.081 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.512 2.946 8.423 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.394 2.773 6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.018 3.377 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.122 2.014 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.371 1.729 4.941 1.00 0.00 H new ATOM 1271 N ASP A 81 13.167 0.048 8.692 1.00 0.00 N ATOM 1272 CA ASP A 81 14.238 0.417 9.607 1.00 0.00 C ATOM 1273 C ASP A 81 14.718 -0.773 10.442 1.00 0.00 C ATOM 1274 O ASP A 81 15.677 -0.647 11.198 1.00 0.00 O ATOM 1275 CB ASP A 81 13.736 1.555 10.502 1.00 0.00 C ATOM 1276 CG ASP A 81 14.851 2.123 11.378 1.00 0.00 C ATOM 1277 OD1 ASP A 81 15.850 2.609 10.800 1.00 0.00 O ATOM 1278 OD2 ASP A 81 14.694 2.073 12.618 1.00 0.00 O ATOM 0 H ASP A 81 12.465 -0.567 9.104 1.00 0.00 H new ATOM 0 HA ASP A 81 15.101 0.749 9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.321 2.349 9.881 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.927 1.190 11.135 1.00 0.00 H new ATOM 1283 N GLY A 82 14.055 -1.928 10.309 1.00 0.00 N ATOM 1284 CA GLY A 82 14.441 -3.141 11.018 1.00 0.00 C ATOM 1285 C GLY A 82 13.257 -4.060 11.314 1.00 0.00 C ATOM 1286 O GLY A 82 13.457 -5.197 11.739 1.00 0.00 O ATOM 0 H GLY A 82 13.239 -2.042 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.176 -3.684 10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.926 -2.869 11.955 1.00 0.00 H new ATOM 1290 N ARG A 83 12.030 -3.575 11.093 1.00 0.00 N ATOM 1291 CA ARG A 83 10.824 -4.372 11.255 1.00 0.00 C ATOM 1292 C ARG A 83 10.306 -4.795 9.886 1.00 0.00 C ATOM 1293 O ARG A 83 11.032 -4.735 8.897 1.00 0.00 O ATOM 1294 CB ARG A 83 9.772 -3.612 12.070 1.00 0.00 C ATOM 1295 CG ARG A 83 9.292 -2.344 11.358 1.00 0.00 C ATOM 1296 CD ARG A 83 8.178 -1.678 12.159 1.00 0.00 C ATOM 1297 NE ARG A 83 8.623 -1.358 13.525 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.820 -0.938 14.507 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.522 -0.749 14.294 1.00 0.00 N ATOM 1300 NH2 ARG A 83 8.319 -0.705 15.718 1.00 0.00 N ATOM 0 H ARG A 83 11.852 -2.615 10.796 1.00 0.00 H new ATOM 0 HA ARG A 83 11.057 -5.275 11.819 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.920 -4.265 12.259 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.190 -3.345 13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.124 -1.651 11.234 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.933 -2.593 10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.859 -0.766 11.655 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.312 -2.338 12.201 1.00 0.00 H new ATOM 0 HE ARG A 83 9.615 -1.464 13.737 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.126 -0.925 13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.922 -0.428 15.054 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.313 -0.847 15.896 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.707 -0.384 16.469 1.00 0.00 H new ATOM 1314 N GLU A 84 9.050 -5.216 9.831 1.00 0.00 N ATOM 1315 CA GLU A 84 8.449 -5.746 8.619 1.00 0.00 C ATOM 1316 C GLU A 84 7.490 -4.716 8.044 1.00 0.00 C ATOM 1317 O GLU A 84 7.163 -3.734 8.707 1.00 0.00 O ATOM 1318 CB GLU A 84 7.692 -7.035 8.943 1.00 0.00 C ATOM 1319 CG GLU A 84 8.673 -8.163 9.260 1.00 0.00 C ATOM 1320 CD GLU A 84 7.942 -9.475 9.550 1.00 0.00 C ATOM 1321 OE1 GLU A 84 6.926 -9.745 8.871 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.407 -10.202 10.456 1.00 0.00 O ATOM 0 H GLU A 84 8.418 -5.199 10.631 1.00 0.00 H new ATOM 0 HA GLU A 84 9.228 -5.964 7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.029 -6.871 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.064 -7.317 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.353 -8.302 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.282 -7.886 10.121 1.00 0.00 H new ATOM 1329 N LEU A 85 7.043 -4.951 6.817 1.00 0.00 N ATOM 1330 CA LEU A 85 6.068 -4.115 6.142 1.00 0.00 C ATOM 1331 C LEU A 85 5.030 -5.037 5.523 1.00 0.00 C ATOM 1332 O LEU A 85 5.337 -6.179 5.183 1.00 0.00 O ATOM 1333 CB LEU A 85 6.767 -3.254 5.085 1.00 0.00 C ATOM 1334 CG LEU A 85 7.753 -2.253 5.695 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.392 -1.463 4.554 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.070 -1.288 6.665 1.00 0.00 C ATOM 0 H LEU A 85 7.356 -5.743 6.256 1.00 0.00 H new ATOM 0 HA LEU A 85 5.578 -3.433 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.298 -3.902 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.016 -2.713 4.509 1.00 0.00 H new ATOM 0 HG LEU A 85 8.502 -2.804 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.100 -0.742 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.916 -2.147 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.617 -0.936 3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.809 -0.598 7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.300 -0.726 6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.614 -1.852 7.478 1.00 0.00 H new ATOM 1348 N ARG A 86 3.800 -4.549 5.382 1.00 0.00 N ATOM 1349 CA ARG A 86 2.688 -5.388 4.982 1.00 0.00 C ATOM 1350 C ARG A 86 1.800 -4.664 3.990 1.00 0.00 C ATOM 1351 O ARG A 86 1.486 -3.488 4.168 1.00 0.00 O ATOM 1352 CB ARG A 86 1.901 -5.775 6.241 1.00 0.00 C ATOM 1353 CG ARG A 86 2.648 -6.825 7.069 1.00 0.00 C ATOM 1354 CD ARG A 86 2.737 -8.158 6.325 1.00 0.00 C ATOM 1355 NE ARG A 86 3.848 -8.976 6.823 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.565 -9.803 6.054 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.282 -9.954 4.763 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.574 -10.487 6.581 1.00 0.00 N ATOM 0 H ARG A 86 3.554 -3.572 5.541 1.00 0.00 H new ATOM 0 HA ARG A 86 3.058 -6.286 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.726 -4.888 6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.923 -6.163 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.651 -6.465 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.138 -6.971 8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.801 -8.704 6.441 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.869 -7.973 5.259 1.00 0.00 H new ATOM 0 HE ARG A 86 4.088 -8.910 7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.509 -9.435 4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.838 -10.588 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.801 -10.381 7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.122 -11.118 5.997 1.00 0.00 H new ATOM 1372 N VAL A 87 1.408 -5.392 2.945 1.00 0.00 N ATOM 1373 CA VAL A 87 0.587 -4.868 1.867 1.00 0.00 C ATOM 1374 C VAL A 87 -0.262 -6.001 1.299 1.00 0.00 C ATOM 1375 O VAL A 87 0.275 -6.998 0.808 1.00 0.00 O ATOM 1376 CB VAL A 87 1.485 -4.300 0.766 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.621 -3.695 -0.335 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.409 -3.217 1.309 1.00 0.00 C ATOM 0 H VAL A 87 1.658 -6.374 2.827 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.058 -4.075 2.246 1.00 0.00 H new ATOM 0 HB VAL A 87 2.092 -5.116 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.261 -3.291 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.025 -4.466 -0.756 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.008 -2.896 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.034 -2.834 0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.813 -2.404 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.042 -3.637 2.090 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.589 -5.855 1.360 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.512 -6.855 0.843 1.00 0.00 C ATOM 1390 C GLN A 88 -3.898 -6.239 0.661 1.00 0.00 C ATOM 1391 O GLN A 88 -4.181 -5.166 1.192 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.582 -8.060 1.792 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.120 -7.709 3.185 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.127 -6.893 4.004 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.982 -7.296 4.197 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.553 -5.732 4.496 1.00 0.00 N ATOM 0 H GLN A 88 -2.047 -5.041 1.769 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.151 -7.201 -0.125 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.217 -8.826 1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.586 -8.491 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.049 -7.148 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.360 -8.627 3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.509 -5.423 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.923 -5.151 5.050 1.00 0.00 H new ATOM 1405 N MET A 89 -4.769 -6.917 -0.090 1.00 0.00 N ATOM 1406 CA MET A 89 -6.099 -6.419 -0.410 1.00 0.00 C ATOM 1407 C MET A 89 -6.965 -6.286 0.846 1.00 0.00 C ATOM 1408 O MET A 89 -6.861 -7.091 1.772 1.00 0.00 O ATOM 1409 CB MET A 89 -6.757 -7.339 -1.441 1.00 0.00 C ATOM 1410 CG MET A 89 -6.083 -7.199 -2.809 1.00 0.00 C ATOM 1411 SD MET A 89 -4.369 -7.780 -2.897 1.00 0.00 S ATOM 1412 CE MET A 89 -3.906 -7.090 -4.505 1.00 0.00 C ATOM 0 H MET A 89 -4.565 -7.832 -0.493 1.00 0.00 H new ATOM 0 HA MET A 89 -6.004 -5.421 -0.837 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.693 -8.374 -1.104 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.816 -7.097 -1.527 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.673 -7.748 -3.543 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.108 -6.149 -3.101 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.826 -6.948 -4.543 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.210 -7.775 -5.296 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.403 -6.130 -4.646 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.826 -5.264 0.868 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.735 -5.015 1.973 1.00 0.00 C ATOM 1424 C ALA A 90 -9.921 -5.983 1.951 1.00 0.00 C ATOM 1425 O ALA A 90 -10.004 -6.859 1.092 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.230 -3.567 1.895 1.00 0.00 C ATOM 0 H ALA A 90 -7.906 -4.586 0.110 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.200 -5.175 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.913 -3.371 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.380 -2.888 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.749 -3.410 0.950 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.843 -5.817 2.905 1.00 0.00 N ATOM 1433 CA ARG A 91 -12.040 -6.643 3.014 1.00 0.00 C ATOM 1434 C ARG A 91 -13.282 -5.816 3.332 1.00 0.00 C ATOM 1435 O ARG A 91 -14.398 -6.327 3.294 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.843 -7.695 4.100 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.740 -7.052 5.485 1.00 0.00 C ATOM 1438 CD ARG A 91 -11.389 -8.076 6.565 1.00 0.00 C ATOM 1439 NE ARG A 91 -12.452 -9.075 6.724 1.00 0.00 N ATOM 1440 CZ ARG A 91 -12.330 -10.183 7.457 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -11.196 -10.459 8.098 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -13.350 -11.032 7.548 1.00 0.00 N ATOM 0 H ARG A 91 -10.775 -5.099 3.626 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.195 -7.121 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.676 -8.398 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.939 -8.268 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.981 -6.270 5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.687 -6.572 5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.455 -8.575 6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.224 -7.564 7.513 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.338 -8.912 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.404 -9.819 8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.119 -11.310 8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.223 -10.835 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.259 -11.880 8.108 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.068 -4.538 3.644 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.134 -3.594 3.939 1.00 0.00 C ATOM 1458 C TYR A 92 -13.885 -2.289 3.190 1.00 0.00 C ATOM 1459 O TYR A 92 -12.887 -2.155 2.486 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.178 -3.304 5.447 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.334 -4.511 6.348 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.370 -5.433 6.136 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.437 -4.696 7.411 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.506 -6.543 6.981 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.567 -5.802 8.262 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.603 -6.732 8.048 1.00 0.00 C ATOM 1467 OH TYR A 92 -14.736 -7.811 8.870 1.00 0.00 O ATOM 0 H TYR A 92 -12.135 -4.129 3.698 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.084 -4.027 3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.261 -2.784 5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.004 -2.620 5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.063 -5.287 5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.643 -3.983 7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.302 -7.254 6.815 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.875 -5.941 9.079 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.032 -7.791 9.552 1.00 0.00 H new ATOM 1477 N GLY A 93 -14.793 -1.321 3.346 1.00 0.00 N ATOM 1478 CA GLY A 93 -14.626 0.007 2.771 1.00 0.00 C ATOM 1479 C GLY A 93 -14.631 1.074 3.858 1.00 0.00 C ATOM 1480 O GLY A 93 -13.961 2.098 3.718 1.00 0.00 O ATOM 0 H GLY A 93 -15.659 -1.440 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.689 0.052 2.216 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.428 0.203 2.059 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.381 0.828 4.940 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.466 1.683 6.110 1.00 0.00 C ATOM 1486 C ARG A 94 -15.916 0.837 7.301 1.00 0.00 C ATOM 1487 O ARG A 94 -16.752 -0.049 7.141 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.488 2.802 5.904 1.00 0.00 C ATOM 1489 CG ARG A 94 -16.047 3.790 4.822 1.00 0.00 C ATOM 1490 CD ARG A 94 -16.940 5.031 4.818 1.00 0.00 C ATOM 1491 NE ARG A 94 -18.337 4.687 4.529 1.00 0.00 N ATOM 1492 CZ ARG A 94 -19.316 4.662 5.438 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -19.085 4.958 6.713 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -20.550 4.333 5.068 1.00 0.00 N ATOM 0 H ARG A 94 -15.964 -0.006 5.018 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.487 2.128 6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.449 2.369 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.636 3.335 6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.011 4.083 4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.085 3.307 3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.879 5.527 5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.577 5.739 4.073 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.578 4.450 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.144 5.211 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.848 4.932 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -20.746 4.101 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -21.301 4.312 5.758 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.369 1.113 8.485 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.781 0.531 9.752 1.00 0.00 C ATOM 1510 C PRO A 95 -17.304 0.528 9.919 1.00 0.00 C ATOM 1511 O PRO A 95 -17.970 1.471 9.498 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.120 1.412 10.817 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.889 1.987 10.120 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.278 2.040 8.653 1.00 0.00 C ATOM 0 HA PRO A 95 -15.481 -0.514 9.824 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.792 2.202 11.153 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.844 0.832 11.698 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.642 2.978 10.502 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.013 1.358 10.277 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.578 3.048 8.367 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.435 1.766 8.018 1.00 0.00 H new ATOM 1522 N PRO A 96 -17.868 -0.521 10.526 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.297 -0.614 10.779 1.00 0.00 C ATOM 1524 C PRO A 96 -19.689 0.293 11.951 1.00 0.00 C ATOM 1525 O PRO A 96 -20.833 0.734 12.036 1.00 0.00 O ATOM 1526 CB PRO A 96 -19.532 -2.082 11.129 1.00 0.00 C ATOM 1527 CG PRO A 96 -18.214 -2.503 11.778 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.168 -1.696 11.012 1.00 0.00 C ATOM 0 HA PRO A 96 -19.894 -0.296 9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -20.373 -2.203 11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.752 -2.677 10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -18.199 -2.272 12.843 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.043 -3.575 11.682 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.335 -1.418 11.658 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.752 -2.275 10.187 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.736 0.569 12.846 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.916 1.453 13.987 1.00 0.00 C ATOM 1538 C ASP A 97 -17.542 1.794 14.566 1.00 0.00 C ATOM 1539 O ASP A 97 -16.742 0.893 14.834 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.764 0.745 15.044 1.00 0.00 C ATOM 1541 CG ASP A 97 -20.021 1.646 16.245 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -21.023 2.396 16.203 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.217 1.586 17.202 1.00 0.00 O ATOM 0 H ASP A 97 -17.798 0.172 12.790 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.421 2.369 13.679 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -20.714 0.440 14.606 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -19.258 -0.163 15.370 1.00 0.00 H new ATOM 1548 N SER A 98 -17.257 3.085 14.761 1.00 0.00 N ATOM 1549 CA SER A 98 -15.990 3.512 15.343 1.00 0.00 C ATOM 1550 C SER A 98 -16.037 4.960 15.828 1.00 0.00 C ATOM 1551 O SER A 98 -15.215 5.349 16.653 1.00 0.00 O ATOM 1552 CB SER A 98 -14.880 3.388 14.302 1.00 0.00 C ATOM 1553 OG SER A 98 -15.189 4.181 13.177 1.00 0.00 O ATOM 0 H SER A 98 -17.889 3.849 14.523 1.00 0.00 H new ATOM 0 HA SER A 98 -15.796 2.868 16.200 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.929 3.704 14.731 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.764 2.346 14.003 1.00 0.00 H new ATOM 0 HG SER A 98 -14.372 4.604 12.840 1.00 0.00 H new ATOM 1559 N HIS A 99 -16.985 5.756 15.323 1.00 0.00 N ATOM 1560 CA HIS A 99 -17.108 7.159 15.683 1.00 0.00 C ATOM 1561 C HIS A 99 -18.586 7.549 15.724 1.00 0.00 C ATOM 1562 O HIS A 99 -19.423 6.845 15.153 1.00 0.00 O ATOM 1563 CB HIS A 99 -16.317 8.002 14.675 1.00 0.00 C ATOM 1564 CG HIS A 99 -17.020 8.179 13.353 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -17.539 7.150 12.565 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -17.254 9.379 12.740 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -18.066 7.759 11.491 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -17.908 9.095 11.564 1.00 0.00 N ATOM 0 H HIS A 99 -17.686 5.439 14.653 1.00 0.00 H new ATOM 0 HA HIS A 99 -16.694 7.340 16.675 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -16.123 8.983 15.108 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -15.349 7.533 14.502 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -16.979 10.357 13.107 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -18.553 7.245 10.675 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.218 9.775 10.870 1.00 0.00 H new ATOM 1576 N HIS A 100 -18.916 8.660 16.393 1.00 0.00 N ATOM 1577 CA HIS A 100 -20.310 9.040 16.611 1.00 0.00 C ATOM 1578 C HIS A 100 -20.518 10.559 16.626 1.00 0.00 C ATOM 1579 O HIS A 100 -21.613 11.019 16.953 1.00 0.00 O ATOM 1580 CB HIS A 100 -20.784 8.443 17.940 1.00 0.00 C ATOM 1581 CG HIS A 100 -20.610 6.948 18.019 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -19.644 6.287 18.784 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -21.363 6.025 17.351 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -19.835 4.978 18.545 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -20.856 4.792 17.690 1.00 0.00 N ATOM 0 H HIS A 100 -18.236 9.308 16.791 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.893 8.649 15.777 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -20.233 8.909 18.757 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -21.836 8.687 18.085 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -22.192 6.224 16.688 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -19.248 4.183 18.981 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -21.196 3.892 17.351 1.00 0.00 H new ATOM 1593 N SER A 101 -19.485 11.336 16.275 1.00 0.00 N ATOM 1594 CA SER A 101 -19.576 12.791 16.264 1.00 0.00 C ATOM 1595 C SER A 101 -18.592 13.379 15.256 1.00 0.00 C ATOM 1596 O SER A 101 -19.066 13.975 14.264 1.00 0.00 O ATOM 1597 CB SER A 101 -19.289 13.331 17.665 1.00 0.00 C ATOM 1598 OG SER A 101 -19.469 14.731 17.680 1.00 0.00 O ATOM 1599 OXT SER A 101 -17.372 13.227 15.484 1.00 0.00 O ATOM 0 H SER A 101 -18.574 10.973 15.994 1.00 0.00 H new ATOM 0 HA SER A 101 -20.583 13.083 15.967 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.954 12.861 18.390 1.00 0.00 H new ATOM 0 HB3 SER A 101 -18.269 13.082 17.960 1.00 0.00 H new ATOM 0 HG SER A 101 -19.286 15.075 18.579 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -9.039 -2.545 14.396 1.00 0.00 O ATOM 1607 C5' U B 102 -8.014 -3.511 14.274 1.00 0.00 C ATOM 1608 C4' U B 102 -6.784 -2.894 13.611 1.00 0.00 C ATOM 1609 O4' U B 102 -6.166 -1.987 14.509 1.00 0.00 O ATOM 1610 C3' U B 102 -5.763 -3.986 13.274 1.00 0.00 C ATOM 1611 O3' U B 102 -5.146 -3.704 12.032 1.00 0.00 O ATOM 1612 C2' U B 102 -4.748 -3.810 14.395 1.00 0.00 C ATOM 1613 O2' U B 102 -3.474 -4.303 14.040 1.00 0.00 O ATOM 1614 C1' U B 102 -4.794 -2.295 14.520 1.00 0.00 C ATOM 1615 N1 U B 102 -4.060 -1.826 15.713 1.00 0.00 N ATOM 1616 C2 U B 102 -4.687 -1.757 16.951 1.00 0.00 C ATOM 1617 O2 U B 102 -5.848 -2.110 17.146 1.00 0.00 O ATOM 1618 N3 U B 102 -3.917 -1.254 17.990 1.00 0.00 N ATOM 1619 C4 U B 102 -2.592 -0.857 17.906 1.00 0.00 C ATOM 1620 O4 U B 102 -2.003 -0.428 18.895 1.00 0.00 O ATOM 1621 C5 U B 102 -2.015 -1.004 16.591 1.00 0.00 C ATOM 1622 C6 U B 102 -2.750 -1.474 15.558 1.00 0.00 C ATOM 0 H5' U B 102 -8.369 -4.356 13.684 1.00 0.00 H new ATOM 0 H5'' U B 102 -7.750 -3.898 15.258 1.00 0.00 H new ATOM 0 H4' U B 102 -7.102 -2.383 12.702 1.00 0.00 H new ATOM 0 H3' U B 102 -6.188 -4.987 13.197 1.00 0.00 H new ATOM 0 H2' U B 102 -4.958 -4.351 15.318 1.00 0.00 H new ATOM 0 HO2' U B 102 -2.784 -3.683 14.355 1.00 0.00 H new ATOM 0 HO5' U B 102 -9.823 -2.952 14.821 1.00 0.00 H new ATOM 0 H1' U B 102 -4.286 -1.775 13.708 1.00 0.00 H new ATOM 0 H3 U B 102 -4.368 -1.168 18.901 1.00 0.00 H new ATOM 0 H5 U B 102 -0.982 -0.735 16.430 1.00 0.00 H new ATOM 0 H6 U B 102 -2.289 -1.573 14.586 1.00 0.00 H new ATOM 1634 P C B 103 -5.776 -4.247 10.651 1.00 0.00 P ATOM 1635 OP1 C B 103 -6.228 -5.641 10.865 1.00 0.00 O ATOM 1636 OP2 C B 103 -4.807 -3.961 9.569 1.00 0.00 O ATOM 1637 O5' C B 103 -7.087 -3.340 10.403 1.00 0.00 O ATOM 1638 C5' C B 103 -6.980 -1.989 10.006 1.00 0.00 C ATOM 1639 C4' C B 103 -8.326 -1.418 9.548 1.00 0.00 C ATOM 1640 O4' C B 103 -8.575 -1.761 8.195 1.00 0.00 O ATOM 1641 C3' C B 103 -9.505 -1.953 10.358 1.00 0.00 C ATOM 1642 O3' C B 103 -10.563 -1.006 10.377 1.00 0.00 O ATOM 1643 C2' C B 103 -9.906 -3.184 9.553 1.00 0.00 C ATOM 1644 O2' C B 103 -11.277 -3.481 9.718 1.00 0.00 O ATOM 1645 C1' C B 103 -9.570 -2.767 8.124 1.00 0.00 C ATOM 1646 N1 C B 103 -9.061 -3.880 7.285 1.00 0.00 N ATOM 1647 C2 C B 103 -9.475 -3.934 5.960 1.00 0.00 C ATOM 1648 O2 C B 103 -10.277 -3.117 5.515 1.00 0.00 O ATOM 1649 N3 C B 103 -8.977 -4.912 5.157 1.00 0.00 N ATOM 1650 C4 C B 103 -8.128 -5.820 5.640 1.00 0.00 C ATOM 1651 N4 C B 103 -7.660 -6.763 4.825 1.00 0.00 N ATOM 1652 C5 C B 103 -7.710 -5.799 7.004 1.00 0.00 C ATOM 1653 C6 C B 103 -8.204 -4.820 7.787 1.00 0.00 C ATOM 0 H5' C B 103 -6.256 -1.905 9.196 1.00 0.00 H new ATOM 0 H5'' C B 103 -6.598 -1.396 10.837 1.00 0.00 H new ATOM 0 H4' C B 103 -8.249 -0.340 9.688 1.00 0.00 H new ATOM 0 H3' C B 103 -9.269 -2.162 11.401 1.00 0.00 H new ATOM 0 H2' C B 103 -9.395 -4.097 9.859 1.00 0.00 H new ATOM 0 HO2' C B 103 -11.735 -2.707 10.107 1.00 0.00 H new ATOM 0 H1' C B 103 -10.490 -2.418 7.655 1.00 0.00 H new ATOM 0 H41 C B 103 -7.010 -7.465 5.178 1.00 0.00 H new ATOM 0 H42 C B 103 -7.952 -6.783 3.848 1.00 0.00 H new ATOM 0 H5 C B 103 -7.025 -6.538 7.393 1.00 0.00 H new ATOM 0 H6 C B 103 -7.919 -4.777 8.828 1.00 0.00 H new ATOM 1665 P C B 104 -10.498 0.289 11.333 1.00 0.00 P ATOM 1666 OP1 C B 104 -9.173 0.313 11.987 1.00 0.00 O ATOM 1667 OP2 C B 104 -11.720 0.289 12.167 1.00 0.00 O ATOM 1668 O5' C B 104 -10.572 1.546 10.325 1.00 0.00 O ATOM 1669 C5' C B 104 -10.704 2.858 10.845 1.00 0.00 C ATOM 1670 C4' C B 104 -10.571 3.946 9.770 1.00 0.00 C ATOM 1671 O4' C B 104 -9.615 3.566 8.798 1.00 0.00 O ATOM 1672 C3' C B 104 -11.860 4.259 9.015 1.00 0.00 C ATOM 1673 O3' C B 104 -12.751 5.156 9.661 1.00 0.00 O ATOM 1674 C2' C B 104 -11.314 4.856 7.733 1.00 0.00 C ATOM 1675 O2' C B 104 -10.998 6.224 7.873 1.00 0.00 O ATOM 1676 C1' C B 104 -10.035 4.065 7.539 1.00 0.00 C ATOM 1677 N1 C B 104 -10.343 2.979 6.584 1.00 0.00 N ATOM 1678 C2 C B 104 -9.918 3.118 5.271 1.00 0.00 C ATOM 1679 O2 C B 104 -9.229 4.076 4.924 1.00 0.00 O ATOM 1680 N3 C B 104 -10.282 2.177 4.368 1.00 0.00 N ATOM 1681 C4 C B 104 -11.001 1.114 4.742 1.00 0.00 C ATOM 1682 N4 C B 104 -11.328 0.223 3.810 1.00 0.00 N ATOM 1683 C5 C B 104 -11.413 0.928 6.097 1.00 0.00 C ATOM 1684 C6 C B 104 -11.062 1.890 6.982 1.00 0.00 C ATOM 0 H5' C B 104 -9.945 3.017 11.611 1.00 0.00 H new ATOM 0 H5'' C B 104 -11.674 2.954 11.333 1.00 0.00 H new ATOM 0 H4' C B 104 -10.276 4.837 10.325 1.00 0.00 H new ATOM 0 H3' C B 104 -12.484 3.372 8.903 1.00 0.00 H new ATOM 0 H2' C B 104 -12.027 4.802 6.910 1.00 0.00 H new ATOM 0 HO2' C B 104 -10.122 6.315 8.303 1.00 0.00 H new ATOM 0 H1' C B 104 -9.222 4.672 7.141 1.00 0.00 H new ATOM 0 H41 C B 104 -11.876 -0.600 4.061 1.00 0.00 H new ATOM 0 H42 C B 104 -11.031 0.363 2.844 1.00 0.00 H new ATOM 0 H5 C B 104 -11.979 0.060 6.401 1.00 0.00 H new ATOM 0 H6 C B 104 -11.355 1.794 8.017 1.00 0.00 H new ATOM 1696 P A B 105 -14.158 5.564 8.964 1.00 0.00 P ATOM 1697 OP1 A B 105 -15.262 5.156 9.863 1.00 0.00 O ATOM 1698 OP2 A B 105 -14.155 5.074 7.567 1.00 0.00 O ATOM 1699 O5' A B 105 -14.129 7.170 8.879 1.00 0.00 O ATOM 1700 C5' A B 105 -14.914 7.964 9.743 1.00 0.00 C ATOM 1701 C4' A B 105 -14.205 8.253 11.068 1.00 0.00 C ATOM 1702 O4' A B 105 -14.045 7.087 11.862 1.00 0.00 O ATOM 1703 C3' A B 105 -12.814 8.880 10.864 1.00 0.00 C ATOM 1704 O3' A B 105 -12.746 10.181 11.431 1.00 0.00 O ATOM 1705 C2' A B 105 -11.924 7.941 11.672 1.00 0.00 C ATOM 1706 O2' A B 105 -10.857 8.614 12.314 1.00 0.00 O ATOM 1707 C1' A B 105 -12.920 7.360 12.667 1.00 0.00 C ATOM 1708 N9 A B 105 -12.349 6.208 13.390 1.00 0.00 N ATOM 1709 C8 A B 105 -11.731 5.114 12.867 1.00 0.00 C ATOM 1710 N7 A B 105 -11.276 4.270 13.750 1.00 0.00 N ATOM 1711 C5 A B 105 -11.608 4.866 14.963 1.00 0.00 C ATOM 1712 C6 A B 105 -11.382 4.509 16.309 1.00 0.00 C ATOM 1713 N6 A B 105 -10.746 3.395 16.684 1.00 0.00 N ATOM 1714 N1 A B 105 -11.825 5.331 17.266 1.00 0.00 N ATOM 1715 C2 A B 105 -12.456 6.442 16.914 1.00 0.00 C ATOM 1716 N3 A B 105 -12.734 6.899 15.700 1.00 0.00 N ATOM 1717 C4 A B 105 -12.277 6.044 14.755 1.00 0.00 C ATOM 0 H5' A B 105 -15.858 7.457 9.941 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.155 8.905 9.249 1.00 0.00 H new ATOM 0 H4' A B 105 -14.854 8.961 11.583 1.00 0.00 H new ATOM 0 H3' A B 105 -12.544 8.986 9.813 1.00 0.00 H new ATOM 0 H2' A B 105 -11.414 7.193 11.064 1.00 0.00 H new ATOM 0 HO2' A B 105 -11.028 9.579 12.308 1.00 0.00 H new ATOM 0 H1' A B 105 -13.192 8.023 13.488 1.00 0.00 H new ATOM 0 H8 A B 105 -11.626 4.957 11.804 1.00 0.00 H new ATOM 0 H61 A B 105 -10.614 3.192 17.675 1.00 0.00 H new ATOM 0 H62 A B 105 -10.393 2.748 15.979 1.00 0.00 H new ATOM 0 H2 A B 105 -12.791 7.063 17.731 1.00 0.00 H new ATOM 1729 P G B 106 -13.412 11.456 10.706 1.00 0.00 P ATOM 1730 OP1 G B 106 -13.302 12.615 11.622 1.00 0.00 O ATOM 1731 OP2 G B 106 -14.745 11.062 10.198 1.00 0.00 O ATOM 1732 O5' G B 106 -12.454 11.734 9.440 1.00 0.00 O ATOM 1733 C5' G B 106 -11.179 12.328 9.611 1.00 0.00 C ATOM 1734 C4' G B 106 -10.726 13.078 8.352 1.00 0.00 C ATOM 1735 O4' G B 106 -10.107 12.229 7.401 1.00 0.00 O ATOM 1736 C3' G B 106 -11.917 13.760 7.681 1.00 0.00 C ATOM 1737 O3' G B 106 -11.540 15.049 7.237 1.00 0.00 O ATOM 1738 C2' G B 106 -12.267 12.804 6.542 1.00 0.00 C ATOM 1739 O2' G B 106 -12.676 13.464 5.366 1.00 0.00 O ATOM 1740 C1' G B 106 -10.983 12.010 6.308 1.00 0.00 C ATOM 1741 N9 G B 106 -11.296 10.574 6.176 1.00 0.00 N ATOM 1742 C8 G B 106 -12.143 9.805 6.931 1.00 0.00 C ATOM 1743 N7 G B 106 -12.235 8.566 6.527 1.00 0.00 N ATOM 1744 C5 G B 106 -11.369 8.502 5.435 1.00 0.00 C ATOM 1745 C6 G B 106 -11.040 7.412 4.575 1.00 0.00 C ATOM 1746 O6 G B 106 -11.457 6.254 4.602 1.00 0.00 O ATOM 1747 N1 G B 106 -10.128 7.779 3.597 1.00 0.00 N ATOM 1748 C2 G B 106 -9.614 9.041 3.442 1.00 0.00 C ATOM 1749 N2 G B 106 -8.791 9.221 2.416 1.00 0.00 N ATOM 1750 N3 G B 106 -9.908 10.068 4.241 1.00 0.00 N ATOM 1751 C4 G B 106 -10.787 9.729 5.220 1.00 0.00 C ATOM 0 H5' G B 106 -10.449 11.557 9.857 1.00 0.00 H new ATOM 0 H5'' G B 106 -11.210 13.018 10.454 1.00 0.00 H new ATOM 0 H4' G B 106 -9.994 13.814 8.684 1.00 0.00 H new ATOM 0 H3' G B 106 -12.775 13.929 8.332 1.00 0.00 H new ATOM 0 H2' G B 106 -13.118 12.177 6.806 1.00 0.00 H new ATOM 0 HO2' G B 106 -13.281 14.199 5.597 1.00 0.00 H new ATOM 0 H1' G B 106 -10.503 12.340 5.387 1.00 0.00 H new ATOM 0 H8 G B 106 -12.685 10.189 7.783 1.00 0.00 H new ATOM 0 H1 G B 106 -9.817 7.058 2.946 1.00 0.00 H new ATOM 0 H21 G B 106 -8.377 10.138 2.249 1.00 0.00 H new ATOM 0 H22 G B 106 -8.573 8.442 1.795 1.00 0.00 H new ATOM 1763 P U B 107 -12.648 16.199 7.014 1.00 0.00 P ATOM 1764 OP1 U B 107 -12.660 17.064 8.215 1.00 0.00 O ATOM 1765 OP2 U B 107 -13.904 15.550 6.572 1.00 0.00 O ATOM 1766 O5' U B 107 -12.044 17.056 5.792 1.00 0.00 O ATOM 1767 C5' U B 107 -11.951 16.513 4.489 1.00 0.00 C ATOM 1768 C4' U B 107 -13.306 16.529 3.771 1.00 0.00 C ATOM 1769 O4' U B 107 -13.465 17.751 3.068 1.00 0.00 O ATOM 1770 C3' U B 107 -13.339 15.456 2.696 1.00 0.00 C ATOM 1771 O3' U B 107 -14.671 15.250 2.264 1.00 0.00 O ATOM 1772 C2' U B 107 -12.511 16.147 1.626 1.00 0.00 C ATOM 1773 O2' U B 107 -12.768 15.619 0.342 1.00 0.00 O ATOM 1774 C1' U B 107 -12.939 17.609 1.752 1.00 0.00 C ATOM 1775 N1 U B 107 -11.793 18.508 1.445 1.00 0.00 N ATOM 1776 C2 U B 107 -11.667 19.718 2.130 1.00 0.00 C ATOM 1777 O2 U B 107 -12.474 20.115 2.971 1.00 0.00 O ATOM 1778 N3 U B 107 -10.554 20.482 1.814 1.00 0.00 N ATOM 1779 C4 U B 107 -9.592 20.175 0.868 1.00 0.00 C ATOM 1780 O4 U B 107 -8.645 20.933 0.673 1.00 0.00 O ATOM 1781 C5 U B 107 -9.820 18.929 0.182 1.00 0.00 C ATOM 1782 C6 U B 107 -10.888 18.154 0.476 1.00 0.00 C ATOM 0 H5' U B 107 -11.582 15.489 4.547 1.00 0.00 H new ATOM 0 H5'' U B 107 -11.225 17.082 3.909 1.00 0.00 H new ATOM 0 H4' U B 107 -14.077 16.380 4.527 1.00 0.00 H new ATOM 0 H3' U B 107 -12.976 14.471 2.989 1.00 0.00 H new ATOM 0 H2' U B 107 -11.437 16.011 1.757 1.00 0.00 H new ATOM 0 HO2' U B 107 -12.795 16.348 -0.312 1.00 0.00 H new ATOM 0 HO3' U B 107 -15.154 16.103 2.275 1.00 0.00 H new ATOM 0 H1' U B 107 -13.708 17.895 1.034 1.00 0.00 H new ATOM 0 H3 U B 107 -10.433 21.354 2.328 1.00 0.00 H new ATOM 0 H5 U B 107 -9.126 18.608 -0.581 1.00 0.00 H new ATOM 0 H6 U B 107 -11.033 17.231 -0.066 1.00 0.00 H new TER 1794 U B 107