USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 106 G O2' : rot 29:sc= -0.757 USER MOD Set 1.2: B 107 U O2' : rot -101:sc= 0.282 USER MOD Set 2.1: A 72 MET CE :methyl 151:sc= -1.72 (180deg=-4.85!) USER MOD Set 2.2: A 89 MET CE :methyl 159:sc= -0.988 (180deg=-0.436) USER MOD Set 3.1: A 44 TYR OH : rot -93:sc= 2.13 USER MOD Set 3.2: B 104 G O2' : rot -157:sc= 0.102 USER MOD Set 4.1: A 36 LYS NZ :NH3+ -98:sc= 1.82 (180deg=-0.469) USER MOD Set 4.2: A 37 TYR OH : rot 36:sc= 1.43 USER MOD Set 5.1: A 26 SER OG : rot 180:sc= 0.81 USER MOD Set 5.2: A 29 THR OG1 : rot 78:sc= 0.938 USER MOD Set 6.1: A 22 THR OG1 : rot 180:sc= 0.0615 USER MOD Set 6.2: A 25 THR OG1 : rot 180:sc= 0.00222 USER MOD Single : A 1 MET CE :methyl -170:sc= -0.207 (180deg=-0.306) USER MOD Single : A 1 MET N :NH3+ -151:sc= 1.42 (180deg=0.438) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -147:sc= 0 (180deg=-1) USER MOD Single : A 14 THR OG1 : rot 110:sc= -1.03 USER MOD Single : A 15 SER OG : rot 140:sc= 0.664 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= 1.48 (180deg=1.4) USER MOD Single : A 20 ASN : amide:sc= -3.49! C(o=-3.5!,f=-4.7!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.815 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.02 USER MOD Single : A 63 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-1.9) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc=-0.000768 (180deg=-0.0569) USER MOD Single : A 75 MET CE :methyl 176:sc= -4.12 (180deg=-4.31) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.41) USER MOD Single : A 100 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.24) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 26:sc= 0.146 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 G O2' : rot -67:sc= 1.13 USER MOD Single : B 105 A O2' : rot 72:sc= 1.09 USER MOD Single : B 107 U O3' : rot 26:sc= 0.987 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.775 15.816 3.583 1.00 0.00 N ATOM 2 CA MET A 1 -3.726 15.364 2.548 1.00 0.00 C ATOM 3 C MET A 1 -5.156 15.731 2.923 1.00 0.00 C ATOM 4 O MET A 1 -5.428 16.065 4.074 1.00 0.00 O ATOM 5 CB MET A 1 -3.606 13.857 2.288 1.00 0.00 C ATOM 6 CG MET A 1 -4.080 12.995 3.462 1.00 0.00 C ATOM 7 SD MET A 1 -3.095 13.111 4.981 1.00 0.00 S ATOM 8 CE MET A 1 -1.572 12.326 4.405 1.00 0.00 C ATOM 0 H1 MET A 1 -1.854 16.016 3.144 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.138 16.679 4.035 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.662 15.071 4.300 1.00 0.00 H new ATOM 0 HA MET A 1 -3.469 15.881 1.624 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.187 13.602 1.402 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.566 13.616 2.067 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.108 13.270 3.697 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.094 11.954 3.140 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.911 12.147 5.253 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.811 11.377 3.925 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.074 12.980 3.689 1.00 0.00 H new ATOM 18 N SER A 2 -6.071 15.672 1.952 1.00 0.00 N ATOM 19 CA SER A 2 -7.474 16.012 2.159 1.00 0.00 C ATOM 20 C SER A 2 -8.371 15.143 1.281 1.00 0.00 C ATOM 21 O SER A 2 -7.883 14.289 0.543 1.00 0.00 O ATOM 22 CB SER A 2 -7.709 17.494 1.853 1.00 0.00 C ATOM 23 OG SER A 2 -6.882 18.305 2.663 1.00 0.00 O ATOM 0 H SER A 2 -5.855 15.385 0.997 1.00 0.00 H new ATOM 0 HA SER A 2 -7.726 15.824 3.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.503 17.691 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.756 17.745 2.025 1.00 0.00 H new ATOM 0 HG SER A 2 -7.043 19.249 2.454 1.00 0.00 H new ATOM 29 N TYR A 3 -9.683 15.368 1.371 1.00 0.00 N ATOM 30 CA TYR A 3 -10.696 14.561 0.699 1.00 0.00 C ATOM 31 C TYR A 3 -11.784 15.473 0.137 1.00 0.00 C ATOM 32 O TYR A 3 -12.965 15.133 0.147 1.00 0.00 O ATOM 33 CB TYR A 3 -11.257 13.530 1.684 1.00 0.00 C ATOM 34 CG TYR A 3 -10.183 12.700 2.353 1.00 0.00 C ATOM 35 CD1 TYR A 3 -9.459 13.238 3.428 1.00 0.00 C ATOM 36 CD2 TYR A 3 -9.901 11.402 1.896 1.00 0.00 C ATOM 37 CE1 TYR A 3 -8.448 12.489 4.043 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.885 10.650 2.503 1.00 0.00 C ATOM 39 CZ TYR A 3 -8.153 11.190 3.579 1.00 0.00 C ATOM 40 OH TYR A 3 -7.164 10.462 4.169 1.00 0.00 O ATOM 0 H TYR A 3 -10.076 16.130 1.923 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.258 14.017 -0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.838 14.046 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -11.943 12.868 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.682 14.233 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -10.467 10.983 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -7.895 12.906 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.663 9.655 2.145 1.00 0.00 H new ATOM 0 HH TYR A 3 -7.093 9.590 3.728 1.00 0.00 H new ATOM 50 N GLY A 4 -11.362 16.643 -0.348 1.00 0.00 N ATOM 51 CA GLY A 4 -12.234 17.669 -0.898 1.00 0.00 C ATOM 52 C GLY A 4 -11.756 18.079 -2.291 1.00 0.00 C ATOM 53 O GLY A 4 -11.680 19.268 -2.599 1.00 0.00 O ATOM 0 H GLY A 4 -10.376 16.905 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.257 17.296 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.246 18.538 -0.240 1.00 0.00 H new ATOM 57 N ARG A 5 -11.427 17.086 -3.127 1.00 0.00 N ATOM 58 CA ARG A 5 -10.894 17.287 -4.472 1.00 0.00 C ATOM 59 C ARG A 5 -9.689 18.242 -4.504 1.00 0.00 C ATOM 60 O ARG A 5 -9.665 19.158 -5.323 1.00 0.00 O ATOM 61 CB ARG A 5 -12.007 17.783 -5.401 1.00 0.00 C ATOM 62 CG ARG A 5 -13.126 16.771 -5.614 1.00 0.00 C ATOM 63 CD ARG A 5 -14.210 17.405 -6.484 1.00 0.00 C ATOM 64 NE ARG A 5 -15.451 16.627 -6.462 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.624 15.411 -6.984 1.00 0.00 C ATOM 66 NH1 ARG A 5 -14.639 14.780 -7.618 1.00 0.00 N ATOM 67 NH2 ARG A 5 -16.803 14.815 -6.868 1.00 0.00 N ATOM 0 H ARG A 5 -11.528 16.102 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.526 16.323 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.431 18.698 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.573 18.040 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.736 15.873 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.544 16.464 -4.655 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.410 18.418 -6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.851 17.487 -7.510 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.257 17.054 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.726 15.225 -7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.797 13.851 -8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -17.567 15.286 -6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.946 13.886 -7.263 1.00 0.00 H new ATOM 81 N PRO A 6 -8.688 18.059 -3.631 1.00 0.00 N ATOM 82 CA PRO A 6 -7.512 18.916 -3.589 1.00 0.00 C ATOM 83 C PRO A 6 -6.607 18.622 -4.786 1.00 0.00 C ATOM 84 O PRO A 6 -6.680 17.530 -5.351 1.00 0.00 O ATOM 85 CB PRO A 6 -6.810 18.554 -2.283 1.00 0.00 C ATOM 86 CG PRO A 6 -7.149 17.072 -2.132 1.00 0.00 C ATOM 87 CD PRO A 6 -8.586 17.006 -2.638 1.00 0.00 C ATOM 0 HA PRO A 6 -7.766 19.975 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.734 18.722 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.181 19.144 -1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.483 16.442 -2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.068 16.741 -1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.806 16.031 -3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.297 17.160 -1.826 1.00 0.00 H new ATOM 95 N PRO A 7 -5.756 19.578 -5.183 1.00 0.00 N ATOM 96 CA PRO A 7 -4.765 19.400 -6.229 1.00 0.00 C ATOM 97 C PRO A 7 -3.586 18.572 -5.706 1.00 0.00 C ATOM 98 O PRO A 7 -2.855 19.032 -4.829 1.00 0.00 O ATOM 99 CB PRO A 7 -4.326 20.818 -6.597 1.00 0.00 C ATOM 100 CG PRO A 7 -4.492 21.590 -5.287 1.00 0.00 C ATOM 101 CD PRO A 7 -5.700 20.924 -4.635 1.00 0.00 C ATOM 0 HA PRO A 7 -5.158 18.864 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.295 20.841 -6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.944 21.237 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.604 21.513 -4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.666 22.651 -5.465 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.595 20.900 -3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.615 21.474 -4.855 1.00 0.00 H new ATOM 109 N PRO A 8 -3.390 17.358 -6.232 1.00 0.00 N ATOM 110 CA PRO A 8 -2.328 16.455 -5.824 1.00 0.00 C ATOM 111 C PRO A 8 -1.065 16.700 -6.652 1.00 0.00 C ATOM 112 O PRO A 8 -0.927 17.735 -7.302 1.00 0.00 O ATOM 113 CB PRO A 8 -2.918 15.081 -6.113 1.00 0.00 C ATOM 114 CG PRO A 8 -3.622 15.331 -7.446 1.00 0.00 C ATOM 115 CD PRO A 8 -4.201 16.732 -7.260 1.00 0.00 C ATOM 0 HA PRO A 8 -2.027 16.579 -4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.149 14.312 -6.192 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.612 14.760 -5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.928 15.287 -8.285 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.401 14.593 -7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.161 17.299 -8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.248 16.686 -6.959 1.00 0.00 H new ATOM 123 N ASP A 9 -0.142 15.735 -6.627 1.00 0.00 N ATOM 124 CA ASP A 9 1.116 15.788 -7.361 1.00 0.00 C ATOM 125 C ASP A 9 1.370 14.454 -8.069 1.00 0.00 C ATOM 126 O ASP A 9 2.517 14.064 -8.280 1.00 0.00 O ATOM 127 CB ASP A 9 2.260 16.142 -6.407 1.00 0.00 C ATOM 128 CG ASP A 9 2.072 17.520 -5.786 1.00 0.00 C ATOM 129 OD1 ASP A 9 2.396 18.511 -6.482 1.00 0.00 O ATOM 130 OD2 ASP A 9 1.608 17.580 -4.625 1.00 0.00 O ATOM 0 H ASP A 9 -0.255 14.879 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 9 1.059 16.564 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.320 15.393 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.206 16.113 -6.947 1.00 0.00 H new ATOM 135 N VAL A 10 0.288 13.752 -8.433 1.00 0.00 N ATOM 136 CA VAL A 10 0.332 12.429 -9.054 1.00 0.00 C ATOM 137 C VAL A 10 1.149 12.391 -10.343 1.00 0.00 C ATOM 138 O VAL A 10 1.459 11.309 -10.837 1.00 0.00 O ATOM 139 CB VAL A 10 -1.094 11.937 -9.332 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.930 11.931 -8.056 1.00 0.00 C ATOM 141 CG2 VAL A 10 -1.799 12.813 -10.366 1.00 0.00 C ATOM 0 H VAL A 10 -0.662 14.100 -8.299 1.00 0.00 H new ATOM 0 HA VAL A 10 0.833 11.769 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.003 10.923 -9.720 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.936 11.578 -8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.469 11.269 -7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.982 12.941 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.807 12.434 -10.537 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.854 13.837 -9.998 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.240 12.793 -11.301 1.00 0.00 H new ATOM 151 N GLU A 11 1.502 13.555 -10.893 1.00 0.00 N ATOM 152 CA GLU A 11 2.247 13.657 -12.141 1.00 0.00 C ATOM 153 C GLU A 11 3.755 13.673 -11.892 1.00 0.00 C ATOM 154 O GLU A 11 4.536 13.845 -12.828 1.00 0.00 O ATOM 155 CB GLU A 11 1.823 14.921 -12.889 1.00 0.00 C ATOM 156 CG GLU A 11 0.319 14.890 -13.136 1.00 0.00 C ATOM 157 CD GLU A 11 -0.123 16.083 -13.977 1.00 0.00 C ATOM 158 OE1 GLU A 11 -0.382 17.149 -13.373 1.00 0.00 O ATOM 159 OE2 GLU A 11 -0.197 15.921 -15.216 1.00 0.00 O ATOM 0 H GLU A 11 1.275 14.459 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 11 2.021 12.780 -12.747 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.088 15.805 -12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.356 14.990 -13.837 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.049 13.964 -13.643 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.210 14.897 -12.183 1.00 0.00 H new ATOM 166 N GLY A 12 4.166 13.494 -10.635 1.00 0.00 N ATOM 167 CA GLY A 12 5.569 13.506 -10.256 1.00 0.00 C ATOM 168 C GLY A 12 5.818 12.734 -8.962 1.00 0.00 C ATOM 169 O GLY A 12 6.830 12.954 -8.297 1.00 0.00 O ATOM 0 H GLY A 12 3.529 13.337 -9.854 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.165 13.071 -11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.903 14.536 -10.134 1.00 0.00 H new ATOM 173 N MET A 13 4.900 11.828 -8.598 1.00 0.00 N ATOM 174 CA MET A 13 5.055 11.039 -7.385 1.00 0.00 C ATOM 175 C MET A 13 4.594 9.592 -7.593 1.00 0.00 C ATOM 176 O MET A 13 3.859 9.298 -8.535 1.00 0.00 O ATOM 177 CB MET A 13 4.314 11.725 -6.238 1.00 0.00 C ATOM 178 CG MET A 13 2.805 11.490 -6.317 1.00 0.00 C ATOM 179 SD MET A 13 1.848 12.540 -5.198 1.00 0.00 S ATOM 180 CE MET A 13 0.411 11.472 -4.953 1.00 0.00 C ATOM 0 H MET A 13 4.051 11.630 -9.127 1.00 0.00 H new ATOM 0 HA MET A 13 6.112 10.983 -7.126 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.691 11.351 -5.286 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.517 12.796 -6.263 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.472 11.665 -7.340 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.596 10.445 -6.088 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.480 12.086 -4.822 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.283 10.828 -5.823 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.562 10.857 -4.066 1.00 0.00 H new ATOM 190 N THR A 14 5.030 8.692 -6.711 1.00 0.00 N ATOM 191 CA THR A 14 4.782 7.259 -6.827 1.00 0.00 C ATOM 192 C THR A 14 3.431 6.865 -6.237 1.00 0.00 C ATOM 193 O THR A 14 3.354 6.444 -5.085 1.00 0.00 O ATOM 194 CB THR A 14 5.896 6.482 -6.136 1.00 0.00 C ATOM 195 OG1 THR A 14 7.135 6.858 -6.688 1.00 0.00 O ATOM 196 CG2 THR A 14 5.690 4.985 -6.356 1.00 0.00 C ATOM 0 H THR A 14 5.573 8.944 -5.885 1.00 0.00 H new ATOM 0 HA THR A 14 4.764 7.012 -7.888 1.00 0.00 H new ATOM 0 HB THR A 14 5.881 6.701 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.642 7.377 -6.030 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.488 4.431 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.728 4.685 -5.940 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.707 4.769 -7.424 1.00 0.00 H new ATOM 203 N SER A 15 2.379 7.010 -7.042 1.00 0.00 N ATOM 204 CA SER A 15 1.000 6.690 -6.688 1.00 0.00 C ATOM 205 C SER A 15 0.828 5.199 -6.424 1.00 0.00 C ATOM 206 O SER A 15 0.341 4.465 -7.281 1.00 0.00 O ATOM 207 CB SER A 15 0.051 7.148 -7.798 1.00 0.00 C ATOM 208 OG SER A 15 0.020 8.557 -7.857 1.00 0.00 O ATOM 0 H SER A 15 2.469 7.367 -7.993 1.00 0.00 H new ATOM 0 HA SER A 15 0.755 7.222 -5.769 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.377 6.743 -8.756 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.951 6.762 -7.613 1.00 0.00 H new ATOM 0 HG SER A 15 0.003 8.845 -8.794 1.00 0.00 H new ATOM 214 N LEU A 16 1.229 4.752 -5.236 1.00 0.00 N ATOM 215 CA LEU A 16 1.209 3.333 -4.902 1.00 0.00 C ATOM 216 C LEU A 16 -0.194 2.867 -4.516 1.00 0.00 C ATOM 217 O LEU A 16 -0.675 3.200 -3.434 1.00 0.00 O ATOM 218 CB LEU A 16 2.184 3.099 -3.758 1.00 0.00 C ATOM 219 CG LEU A 16 2.470 1.638 -3.400 1.00 0.00 C ATOM 220 CD1 LEU A 16 1.380 1.075 -2.499 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.610 0.748 -4.631 1.00 0.00 C ATOM 0 H LEU A 16 1.572 5.355 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 16 1.506 2.753 -5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.129 3.581 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.797 3.600 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 16 3.424 1.637 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.607 0.036 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.332 1.657 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.420 1.128 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.812 -0.276 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.685 0.776 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.433 1.108 -5.248 1.00 0.00 H new ATOM 233 N LYS A 17 -0.847 2.099 -5.392 1.00 0.00 N ATOM 234 CA LYS A 17 -2.211 1.642 -5.174 1.00 0.00 C ATOM 235 C LYS A 17 -2.283 0.447 -4.226 1.00 0.00 C ATOM 236 O LYS A 17 -1.442 -0.446 -4.283 1.00 0.00 O ATOM 237 CB LYS A 17 -2.831 1.275 -6.522 1.00 0.00 C ATOM 238 CG LYS A 17 -4.235 0.711 -6.337 1.00 0.00 C ATOM 239 CD LYS A 17 -4.850 0.455 -7.706 1.00 0.00 C ATOM 240 CE LYS A 17 -4.195 -0.739 -8.395 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.905 -1.988 -8.064 1.00 0.00 N ATOM 0 H LYS A 17 -0.440 1.779 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.766 2.453 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.870 2.157 -7.161 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.203 0.542 -7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.196 -0.214 -5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.851 1.411 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.919 0.273 -7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.739 1.343 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.198 -0.589 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.152 -0.815 -8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.359 -2.801 -8.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.013 -2.063 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.844 -1.983 -8.511 1.00 0.00 H new ATOM 255 N VAL A 18 -3.300 0.435 -3.357 1.00 0.00 N ATOM 256 CA VAL A 18 -3.588 -0.727 -2.513 1.00 0.00 C ATOM 257 C VAL A 18 -5.057 -1.104 -2.618 1.00 0.00 C ATOM 258 O VAL A 18 -5.902 -0.227 -2.785 1.00 0.00 O ATOM 259 CB VAL A 18 -3.251 -0.450 -1.045 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.496 -1.706 -0.207 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.800 -0.003 -0.873 1.00 0.00 C ATOM 0 H VAL A 18 -3.938 1.219 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.966 -1.549 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.899 0.358 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.254 -1.501 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.543 -1.997 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.865 -2.516 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.599 0.184 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.133 -0.785 -1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.631 0.911 -1.442 1.00 0.00 H new ATOM 271 N ASP A 19 -5.330 -2.413 -2.515 1.00 0.00 N ATOM 272 CA ASP A 19 -6.676 -2.985 -2.549 1.00 0.00 C ATOM 273 C ASP A 19 -6.739 -4.277 -1.728 1.00 0.00 C ATOM 274 O ASP A 19 -5.755 -4.659 -1.092 1.00 0.00 O ATOM 275 CB ASP A 19 -7.046 -3.315 -3.998 1.00 0.00 C ATOM 276 CG ASP A 19 -6.973 -2.104 -4.916 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.946 -1.320 -4.924 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.937 -1.980 -5.604 1.00 0.00 O ATOM 0 H ASP A 19 -4.600 -3.117 -2.403 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.370 -2.258 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.376 -4.089 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.055 -3.726 -4.026 1.00 0.00 H new ATOM 283 N ASN A 20 -7.905 -4.942 -1.757 1.00 0.00 N ATOM 284 CA ASN A 20 -8.131 -6.293 -1.243 1.00 0.00 C ATOM 285 C ASN A 20 -8.655 -6.327 0.195 1.00 0.00 C ATOM 286 O ASN A 20 -8.425 -7.300 0.909 1.00 0.00 O ATOM 287 CB ASN A 20 -6.884 -7.164 -1.410 1.00 0.00 C ATOM 288 CG ASN A 20 -7.244 -8.610 -1.712 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.218 -8.889 -2.407 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.461 -9.552 -1.197 1.00 0.00 N ATOM 0 H ASN A 20 -8.749 -4.531 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.929 -6.716 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.268 -6.766 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.285 -7.120 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.662 -10.536 -1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.659 -9.291 -0.623 1.00 0.00 H new ATOM 297 N LEU A 21 -9.349 -5.272 0.616 1.00 0.00 N ATOM 298 CA LEU A 21 -9.901 -5.133 1.954 1.00 0.00 C ATOM 299 C LEU A 21 -10.751 -6.360 2.255 1.00 0.00 C ATOM 300 O LEU A 21 -11.716 -6.635 1.545 1.00 0.00 O ATOM 301 CB LEU A 21 -10.749 -3.858 2.011 1.00 0.00 C ATOM 302 CG LEU A 21 -9.955 -2.541 2.034 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.631 -2.144 3.467 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.641 -2.583 1.253 1.00 0.00 C ATOM 0 H LEU A 21 -9.546 -4.471 0.017 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.107 -5.058 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.416 -3.846 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.378 -3.899 2.900 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.605 -1.813 1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.069 -1.210 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.557 -2.010 4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.034 -2.927 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.146 -1.614 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.993 -3.352 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.846 -2.812 0.207 1.00 0.00 H new ATOM 316 N THR A 22 -10.378 -7.094 3.306 1.00 0.00 N ATOM 317 CA THR A 22 -10.964 -8.379 3.655 1.00 0.00 C ATOM 318 C THR A 22 -12.484 -8.382 3.505 1.00 0.00 C ATOM 319 O THR A 22 -13.017 -9.118 2.675 1.00 0.00 O ATOM 320 CB THR A 22 -10.494 -8.765 5.063 1.00 0.00 C ATOM 321 OG1 THR A 22 -9.102 -8.565 5.147 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.779 -10.227 5.394 1.00 0.00 C ATOM 0 H THR A 22 -9.643 -6.800 3.949 1.00 0.00 H new ATOM 0 HA THR A 22 -10.619 -9.139 2.955 1.00 0.00 H new ATOM 0 HB THR A 22 -11.040 -8.142 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.790 -8.807 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.426 -10.447 6.402 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.852 -10.411 5.337 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.262 -10.869 4.680 1.00 0.00 H new ATOM 329 N TYR A 23 -13.146 -7.554 4.313 1.00 0.00 N ATOM 330 CA TYR A 23 -14.569 -7.244 4.338 1.00 0.00 C ATOM 331 C TYR A 23 -14.906 -6.522 5.645 1.00 0.00 C ATOM 332 O TYR A 23 -15.936 -5.855 5.744 1.00 0.00 O ATOM 333 CB TYR A 23 -15.433 -8.498 4.242 1.00 0.00 C ATOM 334 CG TYR A 23 -15.300 -9.434 5.418 1.00 0.00 C ATOM 335 CD1 TYR A 23 -16.124 -9.279 6.542 1.00 0.00 C ATOM 336 CD2 TYR A 23 -14.348 -10.457 5.381 1.00 0.00 C ATOM 337 CE1 TYR A 23 -15.994 -10.151 7.632 1.00 0.00 C ATOM 338 CE2 TYR A 23 -14.209 -11.332 6.469 1.00 0.00 C ATOM 339 CZ TYR A 23 -15.035 -11.181 7.598 1.00 0.00 C ATOM 340 OH TYR A 23 -14.905 -12.030 8.660 1.00 0.00 O ATOM 0 H TYR A 23 -12.647 -7.035 5.036 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.782 -6.615 3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.477 -8.200 4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.171 -9.037 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -16.859 -8.488 6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.717 -10.574 4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -16.629 -10.033 8.497 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.470 -12.119 6.440 1.00 0.00 H new ATOM 0 HH TYR A 23 -14.198 -12.683 8.472 1.00 0.00 H new ATOM 350 N ARG A 24 -14.029 -6.668 6.644 1.00 0.00 N ATOM 351 CA ARG A 24 -14.184 -6.062 7.965 1.00 0.00 C ATOM 352 C ARG A 24 -13.144 -4.971 8.207 1.00 0.00 C ATOM 353 O ARG A 24 -13.136 -4.341 9.263 1.00 0.00 O ATOM 354 CB ARG A 24 -14.096 -7.164 9.026 1.00 0.00 C ATOM 355 CG ARG A 24 -12.746 -7.887 8.945 1.00 0.00 C ATOM 356 CD ARG A 24 -12.719 -9.072 9.909 1.00 0.00 C ATOM 357 NE ARG A 24 -12.795 -8.637 11.311 1.00 0.00 N ATOM 358 CZ ARG A 24 -11.746 -8.247 12.039 1.00 0.00 C ATOM 359 NH1 ARG A 24 -10.524 -8.232 11.516 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.915 -7.865 13.300 1.00 0.00 N ATOM 0 H ARG A 24 -13.177 -7.221 6.552 1.00 0.00 H new ATOM 0 HA ARG A 24 -15.159 -5.578 8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.224 -6.731 10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -14.906 -7.879 8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.573 -8.234 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.940 -7.194 9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.553 -9.738 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.805 -9.645 9.755 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.712 -8.633 11.758 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.380 -8.520 10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.731 -7.932 12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.847 -7.869 13.714 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.112 -7.567 13.855 1.00 0.00 H new ATOM 374 N THR A 25 -12.268 -4.757 7.224 1.00 0.00 N ATOM 375 CA THR A 25 -11.228 -3.739 7.267 1.00 0.00 C ATOM 376 C THR A 25 -11.837 -2.367 6.964 1.00 0.00 C ATOM 377 O THR A 25 -13.012 -2.273 6.615 1.00 0.00 O ATOM 378 CB THR A 25 -10.149 -4.111 6.240 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.937 -5.505 6.261 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.820 -3.423 6.544 1.00 0.00 C ATOM 0 H THR A 25 -12.265 -5.300 6.360 1.00 0.00 H new ATOM 0 HA THR A 25 -10.776 -3.689 8.257 1.00 0.00 H new ATOM 0 HB THR A 25 -10.501 -3.783 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.249 -5.741 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.082 -3.711 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.957 -2.342 6.522 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.472 -3.725 7.532 1.00 0.00 H new ATOM 387 N SER A 26 -11.047 -1.298 7.093 1.00 0.00 N ATOM 388 CA SER A 26 -11.511 0.063 6.852 1.00 0.00 C ATOM 389 C SER A 26 -10.384 0.896 6.241 1.00 0.00 C ATOM 390 O SER A 26 -9.221 0.502 6.318 1.00 0.00 O ATOM 391 CB SER A 26 -11.963 0.666 8.183 1.00 0.00 C ATOM 392 OG SER A 26 -10.852 0.813 9.041 1.00 0.00 O ATOM 0 H SER A 26 -10.067 -1.356 7.368 1.00 0.00 H new ATOM 0 HA SER A 26 -12.347 0.057 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.434 1.634 8.013 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.711 0.025 8.648 1.00 0.00 H new ATOM 0 HG SER A 26 -11.145 1.201 9.892 1.00 0.00 H new ATOM 398 N PRO A 27 -10.695 2.051 5.634 1.00 0.00 N ATOM 399 CA PRO A 27 -9.679 2.919 5.065 1.00 0.00 C ATOM 400 C PRO A 27 -8.823 3.534 6.170 1.00 0.00 C ATOM 401 O PRO A 27 -7.666 3.872 5.935 1.00 0.00 O ATOM 402 CB PRO A 27 -10.441 3.989 4.282 1.00 0.00 C ATOM 403 CG PRO A 27 -11.821 4.021 4.945 1.00 0.00 C ATOM 404 CD PRO A 27 -12.025 2.593 5.444 1.00 0.00 C ATOM 0 HA PRO A 27 -8.993 2.376 4.415 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.946 4.958 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.512 3.735 3.224 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.853 4.739 5.765 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.597 4.311 4.237 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.590 2.581 6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.589 2.003 4.722 1.00 0.00 H new ATOM 412 N ASP A 28 -9.378 3.682 7.375 1.00 0.00 N ATOM 413 CA ASP A 28 -8.595 4.167 8.502 1.00 0.00 C ATOM 414 C ASP A 28 -7.569 3.113 8.902 1.00 0.00 C ATOM 415 O ASP A 28 -6.513 3.446 9.440 1.00 0.00 O ATOM 416 CB ASP A 28 -9.502 4.452 9.697 1.00 0.00 C ATOM 417 CG ASP A 28 -8.751 5.213 10.786 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.584 6.442 10.623 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.346 4.557 11.771 1.00 0.00 O ATOM 0 H ASP A 28 -10.354 3.475 7.589 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.091 5.087 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.365 5.033 9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.883 3.514 10.101 1.00 0.00 H new ATOM 424 N THR A 29 -7.870 1.839 8.639 1.00 0.00 N ATOM 425 CA THR A 29 -6.934 0.778 8.952 1.00 0.00 C ATOM 426 C THR A 29 -5.858 0.747 7.880 1.00 0.00 C ATOM 427 O THR A 29 -4.675 0.658 8.187 1.00 0.00 O ATOM 428 CB THR A 29 -7.627 -0.579 9.044 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.588 -0.567 10.075 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.572 -1.634 9.374 1.00 0.00 C ATOM 0 H THR A 29 -8.745 1.528 8.216 1.00 0.00 H new ATOM 0 HA THR A 29 -6.491 0.979 9.927 1.00 0.00 H new ATOM 0 HB THR A 29 -8.121 -0.800 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.392 -0.098 9.767 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.046 -2.613 9.445 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.817 -1.652 8.588 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.099 -1.390 10.325 1.00 0.00 H new ATOM 437 N LEU A 30 -6.257 0.824 6.612 1.00 0.00 N ATOM 438 CA LEU A 30 -5.314 0.868 5.513 1.00 0.00 C ATOM 439 C LEU A 30 -4.386 2.076 5.651 1.00 0.00 C ATOM 440 O LEU A 30 -3.318 2.096 5.045 1.00 0.00 O ATOM 441 CB LEU A 30 -6.105 0.919 4.205 1.00 0.00 C ATOM 442 CG LEU A 30 -6.082 -0.397 3.429 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.708 -0.636 2.822 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.437 -1.582 4.326 1.00 0.00 C ATOM 0 H LEU A 30 -7.236 0.857 6.326 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.684 -0.022 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.139 1.184 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.700 1.711 3.575 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.828 -0.316 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.711 -1.578 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.464 0.180 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.962 -0.681 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.411 -2.502 3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.717 -1.650 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.437 -1.441 4.736 1.00 0.00 H new ATOM 456 N ARG A 31 -4.778 3.078 6.444 1.00 0.00 N ATOM 457 CA ARG A 31 -3.954 4.256 6.652 1.00 0.00 C ATOM 458 C ARG A 31 -2.847 3.946 7.651 1.00 0.00 C ATOM 459 O ARG A 31 -1.677 4.087 7.309 1.00 0.00 O ATOM 460 CB ARG A 31 -4.828 5.407 7.152 1.00 0.00 C ATOM 461 CG ARG A 31 -4.001 6.636 7.543 1.00 0.00 C ATOM 462 CD ARG A 31 -3.101 7.132 6.408 1.00 0.00 C ATOM 463 NE ARG A 31 -2.337 8.311 6.834 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.769 9.573 6.772 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.966 9.874 6.273 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.980 10.546 7.216 1.00 0.00 N ATOM 0 H ARG A 31 -5.664 3.090 6.950 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.492 4.550 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.541 5.683 6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.408 5.073 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.673 7.439 7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.385 6.393 8.409 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.418 6.339 6.105 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.708 7.380 5.537 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.401 8.154 7.207 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.576 9.133 5.927 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.274 10.846 6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.060 10.323 7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.294 11.516 7.176 1.00 0.00 H new ATOM 480 N ARG A 32 -3.188 3.524 8.874 1.00 0.00 N ATOM 481 CA ARG A 32 -2.177 3.328 9.905 1.00 0.00 C ATOM 482 C ARG A 32 -1.314 2.102 9.611 1.00 0.00 C ATOM 483 O ARG A 32 -0.237 1.945 10.187 1.00 0.00 O ATOM 484 CB ARG A 32 -2.839 3.258 11.293 1.00 0.00 C ATOM 485 CG ARG A 32 -3.194 1.848 11.776 1.00 0.00 C ATOM 486 CD ARG A 32 -4.581 1.433 11.304 1.00 0.00 C ATOM 487 NE ARG A 32 -5.642 2.250 11.907 1.00 0.00 N ATOM 488 CZ ARG A 32 -6.112 2.090 13.148 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.614 1.157 13.956 1.00 0.00 N ATOM 490 NH2 ARG A 32 -7.090 2.875 13.589 1.00 0.00 N ATOM 0 H ARG A 32 -4.143 3.316 9.166 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.505 4.186 9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.169 3.716 12.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.749 3.858 11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.454 1.138 11.406 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.153 1.813 12.865 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.633 1.517 10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.748 0.385 11.551 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.049 2.992 11.338 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.861 0.550 13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.985 1.049 14.900 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.479 3.596 12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.452 2.756 14.535 1.00 0.00 H new ATOM 504 N VAL A 33 -1.782 1.231 8.712 1.00 0.00 N ATOM 505 CA VAL A 33 -1.095 -0.007 8.365 1.00 0.00 C ATOM 506 C VAL A 33 -0.102 0.202 7.230 1.00 0.00 C ATOM 507 O VAL A 33 0.933 -0.462 7.205 1.00 0.00 O ATOM 508 CB VAL A 33 -2.155 -1.031 7.955 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.547 -2.268 7.303 1.00 0.00 C ATOM 510 CG2 VAL A 33 -2.962 -1.458 9.178 1.00 0.00 C ATOM 0 H VAL A 33 -2.655 1.370 8.203 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.527 -0.359 9.226 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.799 -0.548 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.341 -2.963 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.999 -1.975 6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.866 -2.751 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.715 -2.187 8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.296 -1.905 9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.452 -0.587 9.613 1.00 0.00 H new ATOM 520 N PHE A 34 -0.395 1.109 6.295 1.00 0.00 N ATOM 521 CA PHE A 34 0.514 1.397 5.194 1.00 0.00 C ATOM 522 C PHE A 34 1.297 2.690 5.424 1.00 0.00 C ATOM 523 O PHE A 34 2.252 2.963 4.700 1.00 0.00 O ATOM 524 CB PHE A 34 -0.284 1.425 3.891 1.00 0.00 C ATOM 525 CG PHE A 34 -0.481 0.062 3.255 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.454 -0.810 3.761 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.304 -0.344 2.160 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.659 -2.063 3.167 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.108 -1.602 1.576 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.877 -2.459 2.071 1.00 0.00 C ATOM 0 H PHE A 34 -1.257 1.655 6.283 1.00 0.00 H new ATOM 0 HA PHE A 34 1.264 0.609 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.261 1.868 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.225 2.076 3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.049 -0.515 4.613 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.062 0.318 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.420 -2.725 3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.720 -1.910 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.037 -3.423 1.612 1.00 0.00 H new ATOM 540 N GLU A 35 0.916 3.495 6.419 1.00 0.00 N ATOM 541 CA GLU A 35 1.650 4.716 6.734 1.00 0.00 C ATOM 542 C GLU A 35 2.968 4.392 7.440 1.00 0.00 C ATOM 543 O GLU A 35 3.901 5.191 7.383 1.00 0.00 O ATOM 544 CB GLU A 35 0.774 5.612 7.614 1.00 0.00 C ATOM 545 CG GLU A 35 1.519 6.859 8.086 1.00 0.00 C ATOM 546 CD GLU A 35 0.565 7.834 8.772 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.304 7.638 9.980 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.108 8.768 8.077 1.00 0.00 O ATOM 0 H GLU A 35 0.107 3.322 7.016 1.00 0.00 H new ATOM 0 HA GLU A 35 1.891 5.239 5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.114 5.910 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.431 5.045 8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.313 6.574 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.995 7.347 7.236 1.00 0.00 H new ATOM 555 N LYS A 36 3.060 3.237 8.109 1.00 0.00 N ATOM 556 CA LYS A 36 4.255 2.885 8.868 1.00 0.00 C ATOM 557 C LYS A 36 5.457 2.631 7.963 1.00 0.00 C ATOM 558 O LYS A 36 6.601 2.738 8.406 1.00 0.00 O ATOM 559 CB LYS A 36 3.973 1.664 9.749 1.00 0.00 C ATOM 560 CG LYS A 36 3.724 0.389 8.944 1.00 0.00 C ATOM 561 CD LYS A 36 3.264 -0.712 9.903 1.00 0.00 C ATOM 562 CE LYS A 36 3.049 -2.033 9.167 1.00 0.00 C ATOM 563 NZ LYS A 36 4.322 -2.602 8.693 1.00 0.00 N ATOM 0 H LYS A 36 2.321 2.535 8.137 1.00 0.00 H new ATOM 0 HA LYS A 36 4.509 3.735 9.501 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.817 1.504 10.419 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.104 1.867 10.374 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.967 0.566 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.634 0.084 8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.008 -0.847 10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.337 -0.409 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.556 -2.744 9.830 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.383 -1.874 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.459 -2.360 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.107 -2.212 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.301 -3.636 8.800 1.00 0.00 H new ATOM 577 N TYR A 37 5.202 2.293 6.695 1.00 0.00 N ATOM 578 CA TYR A 37 6.253 2.086 5.710 1.00 0.00 C ATOM 579 C TYR A 37 6.883 3.405 5.270 1.00 0.00 C ATOM 580 O TYR A 37 8.033 3.417 4.831 1.00 0.00 O ATOM 581 CB TYR A 37 5.667 1.352 4.506 1.00 0.00 C ATOM 582 CG TYR A 37 5.255 -0.057 4.853 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.979 -0.312 5.376 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.164 -1.106 4.664 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.626 -1.616 5.753 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.815 -2.413 5.030 1.00 0.00 C ATOM 587 CZ TYR A 37 4.550 -2.667 5.594 1.00 0.00 C ATOM 588 OH TYR A 37 4.228 -3.928 5.991 1.00 0.00 O ATOM 0 H TYR A 37 4.260 2.157 6.329 1.00 0.00 H new ATOM 0 HA TYR A 37 7.042 1.488 6.165 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.803 1.901 4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.403 1.328 3.702 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.269 0.494 5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.135 -0.907 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.647 -1.814 6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.514 -3.223 4.880 1.00 0.00 H new ATOM 0 HH TYR A 37 3.277 -4.092 5.819 1.00 0.00 H new ATOM 598 N GLY A 38 6.147 4.509 5.385 1.00 0.00 N ATOM 599 CA GLY A 38 6.663 5.821 5.027 1.00 0.00 C ATOM 600 C GLY A 38 5.574 6.881 5.135 1.00 0.00 C ATOM 601 O GLY A 38 5.457 7.550 6.162 1.00 0.00 O ATOM 0 H GLY A 38 5.186 4.516 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.495 6.080 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.054 5.797 4.010 1.00 0.00 H new ATOM 605 N ARG A 39 4.771 7.036 4.077 1.00 0.00 N ATOM 606 CA ARG A 39 3.648 7.959 4.078 1.00 0.00 C ATOM 607 C ARG A 39 2.630 7.603 3.003 1.00 0.00 C ATOM 608 O ARG A 39 2.901 6.800 2.114 1.00 0.00 O ATOM 609 CB ARG A 39 4.150 9.396 3.919 1.00 0.00 C ATOM 610 CG ARG A 39 5.099 9.571 2.733 1.00 0.00 C ATOM 611 CD ARG A 39 5.378 11.063 2.528 1.00 0.00 C ATOM 612 NE ARG A 39 6.173 11.619 3.628 1.00 0.00 N ATOM 613 CZ ARG A 39 7.504 11.719 3.624 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.219 11.321 2.577 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.133 12.224 4.683 1.00 0.00 N ATOM 0 H ARG A 39 4.887 6.524 3.202 1.00 0.00 H new ATOM 0 HA ARG A 39 3.137 7.876 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.296 10.061 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.660 9.700 4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.031 9.036 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.658 9.144 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.907 11.209 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.434 11.603 2.451 1.00 0.00 H new ATOM 0 HE ARG A 39 5.674 11.952 4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.751 10.931 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.235 11.405 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.598 12.533 5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.150 12.302 4.683 1.00 0.00 H new ATOM 629 N VAL A 40 1.452 8.222 3.105 1.00 0.00 N ATOM 630 CA VAL A 40 0.334 8.007 2.201 1.00 0.00 C ATOM 631 C VAL A 40 -0.176 9.376 1.781 1.00 0.00 C ATOM 632 O VAL A 40 -0.106 10.324 2.558 1.00 0.00 O ATOM 633 CB VAL A 40 -0.760 7.214 2.932 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.946 6.946 2.015 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.215 5.874 3.435 1.00 0.00 C ATOM 0 H VAL A 40 1.250 8.902 3.838 1.00 0.00 H new ATOM 0 HA VAL A 40 0.632 7.437 1.321 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.087 7.818 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.706 6.383 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.367 7.893 1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.615 6.369 1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.007 5.329 3.949 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.140 5.285 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.610 6.053 4.125 1.00 0.00 H new ATOM 645 N GLY A 41 -0.688 9.488 0.556 1.00 0.00 N ATOM 646 CA GLY A 41 -1.224 10.742 0.047 1.00 0.00 C ATOM 647 C GLY A 41 -2.733 10.658 -0.112 1.00 0.00 C ATOM 648 O GLY A 41 -3.401 11.684 -0.204 1.00 0.00 O ATOM 0 H GLY A 41 -0.741 8.714 -0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.970 11.554 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.765 10.976 -0.914 1.00 0.00 H new ATOM 652 N ASP A 42 -3.274 9.437 -0.140 1.00 0.00 N ATOM 653 CA ASP A 42 -4.709 9.232 -0.193 1.00 0.00 C ATOM 654 C ASP A 42 -5.056 7.804 0.217 1.00 0.00 C ATOM 655 O ASP A 42 -4.271 6.883 0.006 1.00 0.00 O ATOM 656 CB ASP A 42 -5.191 9.503 -1.622 1.00 0.00 C ATOM 657 CG ASP A 42 -6.705 9.610 -1.718 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.353 9.639 -0.648 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.210 9.662 -2.861 1.00 0.00 O ATOM 0 H ASP A 42 -2.728 8.575 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.203 9.914 0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.741 10.428 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.845 8.703 -2.276 1.00 0.00 H new ATOM 664 N VAL A 43 -6.242 7.633 0.802 1.00 0.00 N ATOM 665 CA VAL A 43 -6.778 6.349 1.219 1.00 0.00 C ATOM 666 C VAL A 43 -8.262 6.516 1.522 1.00 0.00 C ATOM 667 O VAL A 43 -8.631 7.062 2.559 1.00 0.00 O ATOM 668 CB VAL A 43 -6.005 5.803 2.429 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.699 6.862 3.490 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.753 4.646 3.087 1.00 0.00 C ATOM 0 H VAL A 43 -6.870 8.411 1.002 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.662 5.619 0.418 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.054 5.456 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.152 6.404 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.095 7.655 3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.632 7.283 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.181 4.281 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.730 4.990 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.883 3.839 2.365 1.00 0.00 H new ATOM 680 N TYR A 44 -9.121 6.044 0.617 1.00 0.00 N ATOM 681 CA TYR A 44 -10.552 6.082 0.869 1.00 0.00 C ATOM 682 C TYR A 44 -11.303 4.990 0.107 1.00 0.00 C ATOM 683 O TYR A 44 -10.723 4.253 -0.693 1.00 0.00 O ATOM 684 CB TYR A 44 -11.114 7.489 0.638 1.00 0.00 C ATOM 685 CG TYR A 44 -11.382 7.941 -0.782 1.00 0.00 C ATOM 686 CD1 TYR A 44 -10.651 7.437 -1.871 1.00 0.00 C ATOM 687 CD2 TYR A 44 -12.386 8.897 -0.998 1.00 0.00 C ATOM 688 CE1 TYR A 44 -10.942 7.875 -3.168 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.673 9.344 -2.289 1.00 0.00 C ATOM 690 CZ TYR A 44 -11.958 8.828 -3.388 1.00 0.00 C ATOM 691 OH TYR A 44 -12.247 9.244 -4.654 1.00 0.00 O ATOM 0 H TYR A 44 -8.852 5.639 -0.280 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.714 5.855 1.923 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.050 7.566 1.192 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.419 8.200 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.866 6.713 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.941 9.290 -0.159 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.385 7.481 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -13.443 10.085 -2.445 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.735 10.054 -4.857 1.00 0.00 H new ATOM 701 N ILE A 45 -12.611 4.897 0.370 1.00 0.00 N ATOM 702 CA ILE A 45 -13.469 3.871 -0.194 1.00 0.00 C ATOM 703 C ILE A 45 -14.659 4.550 -0.870 1.00 0.00 C ATOM 704 O ILE A 45 -15.530 5.088 -0.189 1.00 0.00 O ATOM 705 CB ILE A 45 -13.931 2.897 0.893 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.715 2.282 1.588 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.772 1.782 0.274 1.00 0.00 C ATOM 708 CD1 ILE A 45 -13.078 1.093 2.479 1.00 0.00 C ATOM 0 H ILE A 45 -13.101 5.543 0.988 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.917 3.291 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.532 3.443 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.997 1.959 0.834 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.223 3.045 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.096 1.094 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.646 2.214 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.175 1.241 -0.461 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.175 0.699 2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.774 1.417 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.544 0.315 1.875 1.00 0.00 H new ATOM 720 N PRO A 46 -14.698 4.530 -2.207 1.00 0.00 N ATOM 721 CA PRO A 46 -15.718 5.199 -2.994 1.00 0.00 C ATOM 722 C PRO A 46 -17.058 4.460 -2.978 1.00 0.00 C ATOM 723 O PRO A 46 -18.068 5.031 -3.384 1.00 0.00 O ATOM 724 CB PRO A 46 -15.149 5.218 -4.408 1.00 0.00 C ATOM 725 CG PRO A 46 -14.290 3.958 -4.467 1.00 0.00 C ATOM 726 CD PRO A 46 -13.727 3.865 -3.056 1.00 0.00 C ATOM 0 HA PRO A 46 -15.931 6.191 -2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.939 5.200 -5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.557 6.115 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.880 3.079 -4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.500 4.042 -5.213 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.589 2.826 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.752 4.348 -2.990 1.00 0.00 H new ATOM 734 N ARG A 47 -17.065 3.203 -2.514 1.00 0.00 N ATOM 735 CA ARG A 47 -18.229 2.321 -2.535 1.00 0.00 C ATOM 736 C ARG A 47 -19.086 2.567 -3.782 1.00 0.00 C ATOM 737 O ARG A 47 -18.694 2.199 -4.885 1.00 0.00 O ATOM 738 CB ARG A 47 -19.036 2.486 -1.238 1.00 0.00 C ATOM 739 CG ARG A 47 -18.177 2.252 0.005 1.00 0.00 C ATOM 740 CD ARG A 47 -19.063 2.226 1.249 1.00 0.00 C ATOM 741 NE ARG A 47 -18.267 1.984 2.460 1.00 0.00 N ATOM 742 CZ ARG A 47 -18.637 1.191 3.469 1.00 0.00 C ATOM 743 NH1 ARG A 47 -19.796 0.537 3.440 1.00 0.00 N ATOM 744 NH2 ARG A 47 -17.841 1.048 4.524 1.00 0.00 N ATOM 0 H ARG A 47 -16.239 2.765 -2.105 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.888 1.287 -2.588 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.462 3.489 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.871 1.785 -1.239 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.636 1.310 -0.087 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.430 3.041 0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.593 3.174 1.342 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.819 1.447 1.145 1.00 0.00 H new ATOM 0 HE ARG A 47 -17.366 2.456 2.536 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -20.418 0.637 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -20.062 -0.064 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -16.950 1.543 4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.121 0.443 5.296 1.00 0.00 H new ATOM 758 N ASP A 48 -20.254 3.186 -3.592 1.00 0.00 N ATOM 759 CA ASP A 48 -21.179 3.537 -4.662 1.00 0.00 C ATOM 760 C ASP A 48 -21.786 4.903 -4.406 1.00 0.00 C ATOM 761 O ASP A 48 -22.752 5.281 -5.059 1.00 0.00 O ATOM 762 CB ASP A 48 -22.244 2.454 -4.787 1.00 0.00 C ATOM 763 CG ASP A 48 -21.672 1.164 -5.368 1.00 0.00 C ATOM 764 OD1 ASP A 48 -21.122 0.360 -4.584 1.00 0.00 O ATOM 765 OD2 ASP A 48 -21.788 0.991 -6.602 1.00 0.00 O ATOM 0 H ASP A 48 -20.586 3.461 -2.668 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.643 3.596 -5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.674 2.252 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -23.054 2.812 -5.423 1.00 0.00 H new ATOM 770 N ARG A 49 -21.202 5.636 -3.450 1.00 0.00 N ATOM 771 CA ARG A 49 -21.519 7.020 -3.127 1.00 0.00 C ATOM 772 C ARG A 49 -22.984 7.299 -2.737 1.00 0.00 C ATOM 773 O ARG A 49 -23.272 8.383 -2.234 1.00 0.00 O ATOM 774 CB ARG A 49 -20.986 7.885 -4.278 1.00 0.00 C ATOM 775 CG ARG A 49 -21.637 9.264 -4.379 1.00 0.00 C ATOM 776 CD ARG A 49 -20.975 10.057 -5.505 1.00 0.00 C ATOM 777 NE ARG A 49 -21.737 11.279 -5.793 1.00 0.00 N ATOM 778 CZ ARG A 49 -21.215 12.426 -6.232 1.00 0.00 C ATOM 779 NH1 ARG A 49 -19.906 12.568 -6.416 1.00 0.00 N ATOM 780 NH2 ARG A 49 -22.019 13.455 -6.497 1.00 0.00 N ATOM 0 H ARG A 49 -20.463 5.257 -2.858 1.00 0.00 H new ATOM 0 HA ARG A 49 -21.019 7.287 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.910 8.012 -4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -21.139 7.354 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.705 9.161 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.533 9.797 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.954 10.316 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.912 9.441 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 49 -22.746 11.249 -5.646 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.276 11.790 -6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.532 13.455 -6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -23.026 13.363 -6.364 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.627 14.335 -6.833 1.00 0.00 H new ATOM 794 N TYR A 50 -23.910 6.363 -2.947 1.00 0.00 N ATOM 795 CA TYR A 50 -25.298 6.531 -2.521 1.00 0.00 C ATOM 796 C TYR A 50 -25.976 5.204 -2.146 1.00 0.00 C ATOM 797 O TYR A 50 -27.126 5.218 -1.715 1.00 0.00 O ATOM 798 CB TYR A 50 -26.095 7.248 -3.611 1.00 0.00 C ATOM 799 CG TYR A 50 -26.164 6.489 -4.914 1.00 0.00 C ATOM 800 CD1 TYR A 50 -25.119 6.615 -5.840 1.00 0.00 C ATOM 801 CD2 TYR A 50 -27.258 5.655 -5.191 1.00 0.00 C ATOM 802 CE1 TYR A 50 -25.161 5.904 -7.046 1.00 0.00 C ATOM 803 CE2 TYR A 50 -27.318 4.954 -6.405 1.00 0.00 C ATOM 804 CZ TYR A 50 -26.267 5.079 -7.339 1.00 0.00 C ATOM 805 OH TYR A 50 -26.323 4.400 -8.523 1.00 0.00 O ATOM 0 H TYR A 50 -23.721 5.475 -3.413 1.00 0.00 H new ATOM 0 HA TYR A 50 -25.283 7.138 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -27.108 7.425 -3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -25.646 8.225 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -24.281 7.261 -5.623 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -28.055 5.553 -4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -24.347 5.987 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -28.165 4.321 -6.624 1.00 0.00 H new ATOM 0 HH TYR A 50 -27.152 3.879 -8.562 1.00 0.00 H new ATOM 815 N THR A 51 -25.290 4.063 -2.294 1.00 0.00 N ATOM 816 CA THR A 51 -25.814 2.782 -1.815 1.00 0.00 C ATOM 817 C THR A 51 -24.859 2.159 -0.802 1.00 0.00 C ATOM 818 O THR A 51 -25.253 1.289 -0.029 1.00 0.00 O ATOM 819 CB THR A 51 -26.042 1.801 -2.969 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.803 1.397 -3.495 1.00 0.00 O ATOM 821 CG2 THR A 51 -26.836 2.437 -4.104 1.00 0.00 C ATOM 0 H THR A 51 -24.375 4.003 -2.740 1.00 0.00 H new ATOM 0 HA THR A 51 -26.773 2.982 -1.337 1.00 0.00 H new ATOM 0 HB THR A 51 -26.601 0.956 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.950 0.768 -4.232 1.00 0.00 H new ATOM 0 HG21 THR A 51 -26.976 1.709 -4.903 1.00 0.00 H new ATOM 0 HG22 THR A 51 -27.809 2.759 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 51 -26.292 3.299 -4.490 1.00 0.00 H new ATOM 828 N LYS A 52 -23.602 2.618 -0.816 1.00 0.00 N ATOM 829 CA LYS A 52 -22.565 2.256 0.139 1.00 0.00 C ATOM 830 C LYS A 52 -22.408 0.746 0.344 1.00 0.00 C ATOM 831 O LYS A 52 -21.871 0.330 1.370 1.00 0.00 O ATOM 832 CB LYS A 52 -22.811 2.980 1.469 1.00 0.00 C ATOM 833 CG LYS A 52 -23.060 4.478 1.256 1.00 0.00 C ATOM 834 CD LYS A 52 -24.535 4.850 1.432 1.00 0.00 C ATOM 835 CE LYS A 52 -24.982 4.620 2.876 1.00 0.00 C ATOM 836 NZ LYS A 52 -26.396 4.996 3.063 1.00 0.00 N ATOM 0 H LYS A 52 -23.274 3.276 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.616 2.583 -0.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.669 2.536 1.973 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.950 2.843 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -22.456 5.049 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.733 4.760 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -24.686 5.895 1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -25.149 4.254 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -24.844 3.571 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -24.356 5.203 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -26.672 4.829 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -26.521 6.003 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -26.994 4.421 2.435 1.00 0.00 H new ATOM 850 N GLU A 53 -22.864 -0.073 -0.607 1.00 0.00 N ATOM 851 CA GLU A 53 -22.763 -1.526 -0.511 1.00 0.00 C ATOM 852 C GLU A 53 -21.312 -2.026 -0.620 1.00 0.00 C ATOM 853 O GLU A 53 -21.072 -3.230 -0.530 1.00 0.00 O ATOM 854 CB GLU A 53 -23.661 -2.186 -1.564 1.00 0.00 C ATOM 855 CG GLU A 53 -23.358 -1.685 -2.976 1.00 0.00 C ATOM 856 CD GLU A 53 -24.205 -2.441 -4.004 1.00 0.00 C ATOM 857 OE1 GLU A 53 -23.836 -3.593 -4.323 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.213 -1.860 -4.462 1.00 0.00 O ATOM 0 H GLU A 53 -23.312 0.255 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 53 -23.110 -1.815 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.527 -3.267 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.706 -1.986 -1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.563 -0.617 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.299 -1.820 -3.197 1.00 0.00 H new ATOM 865 N SER A 54 -20.357 -1.105 -0.809 1.00 0.00 N ATOM 866 CA SER A 54 -18.927 -1.387 -0.899 1.00 0.00 C ATOM 867 C SER A 54 -18.568 -2.306 -2.070 1.00 0.00 C ATOM 868 O SER A 54 -19.446 -2.823 -2.762 1.00 0.00 O ATOM 869 CB SER A 54 -18.420 -1.929 0.438 1.00 0.00 C ATOM 870 OG SER A 54 -17.006 -1.972 0.437 1.00 0.00 O ATOM 0 H SER A 54 -20.571 -0.112 -0.906 1.00 0.00 H new ATOM 0 HA SER A 54 -18.417 -0.447 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.772 -1.297 1.253 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.822 -2.927 0.611 1.00 0.00 H new ATOM 0 HG SER A 54 -16.689 -2.318 1.297 1.00 0.00 H new ATOM 876 N ARG A 55 -17.264 -2.506 -2.293 1.00 0.00 N ATOM 877 CA ARG A 55 -16.738 -3.274 -3.419 1.00 0.00 C ATOM 878 C ARG A 55 -15.552 -4.152 -3.023 1.00 0.00 C ATOM 879 O ARG A 55 -15.020 -4.869 -3.869 1.00 0.00 O ATOM 880 CB ARG A 55 -16.346 -2.318 -4.554 1.00 0.00 C ATOM 881 CG ARG A 55 -17.544 -1.551 -5.125 1.00 0.00 C ATOM 882 CD ARG A 55 -18.538 -2.496 -5.805 1.00 0.00 C ATOM 883 NE ARG A 55 -19.691 -1.759 -6.339 1.00 0.00 N ATOM 884 CZ ARG A 55 -20.438 -2.183 -7.366 1.00 0.00 C ATOM 885 NH1 ARG A 55 -20.177 -3.345 -7.964 1.00 0.00 N ATOM 886 NH2 ARG A 55 -21.453 -1.441 -7.802 1.00 0.00 N ATOM 0 H ARG A 55 -16.536 -2.131 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 55 -17.525 -3.947 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.607 -1.606 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -15.870 -2.886 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -18.045 -1.008 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -17.195 -0.809 -5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.040 -3.032 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -18.881 -3.244 -5.090 1.00 0.00 H new ATOM 0 HE ARG A 55 -19.937 -0.871 -5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -19.401 -3.922 -7.640 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.753 -3.657 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -21.662 -0.549 -7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -22.022 -1.764 -8.584 1.00 0.00 H new ATOM 900 N GLY A 56 -15.135 -4.114 -1.756 1.00 0.00 N ATOM 901 CA GLY A 56 -14.106 -5.016 -1.260 1.00 0.00 C ATOM 902 C GLY A 56 -12.687 -4.453 -1.360 1.00 0.00 C ATOM 903 O GLY A 56 -11.726 -5.215 -1.298 1.00 0.00 O ATOM 0 H GLY A 56 -15.498 -3.465 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.318 -5.256 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.156 -5.951 -1.819 1.00 0.00 H new ATOM 907 N PHE A 57 -12.533 -3.134 -1.510 1.00 0.00 N ATOM 908 CA PHE A 57 -11.215 -2.523 -1.586 1.00 0.00 C ATOM 909 C PHE A 57 -11.252 -1.087 -1.077 1.00 0.00 C ATOM 910 O PHE A 57 -12.319 -0.511 -0.864 1.00 0.00 O ATOM 911 CB PHE A 57 -10.701 -2.586 -3.025 1.00 0.00 C ATOM 912 CG PHE A 57 -11.471 -1.755 -4.029 1.00 0.00 C ATOM 913 CD1 PHE A 57 -12.568 -2.302 -4.716 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.081 -0.432 -4.287 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.250 -1.536 -5.672 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.768 0.335 -5.236 1.00 0.00 C ATOM 917 CZ PHE A 57 -12.857 -0.213 -5.925 1.00 0.00 C ATOM 0 H PHE A 57 -13.308 -2.475 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.529 -3.078 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.660 -2.263 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.716 -3.626 -3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.886 -3.313 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.247 -0.003 -3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.079 -1.965 -6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.458 1.350 -5.437 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.393 0.382 -6.650 1.00 0.00 H new ATOM 927 N ALA A 58 -10.062 -0.517 -0.888 1.00 0.00 N ATOM 928 CA ALA A 58 -9.864 0.859 -0.467 1.00 0.00 C ATOM 929 C ALA A 58 -8.639 1.378 -1.197 1.00 0.00 C ATOM 930 O ALA A 58 -7.520 1.011 -0.854 1.00 0.00 O ATOM 931 CB ALA A 58 -9.659 0.935 1.049 1.00 0.00 C ATOM 0 H ALA A 58 -9.186 -1.020 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.739 1.463 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.512 1.974 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.537 0.534 1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.782 0.351 1.327 1.00 0.00 H new ATOM 937 N PHE A 59 -8.852 2.227 -2.204 1.00 0.00 N ATOM 938 CA PHE A 59 -7.764 2.671 -3.058 1.00 0.00 C ATOM 939 C PHE A 59 -6.873 3.600 -2.247 1.00 0.00 C ATOM 940 O PHE A 59 -7.269 4.713 -1.900 1.00 0.00 O ATOM 941 CB PHE A 59 -8.325 3.333 -4.320 1.00 0.00 C ATOM 942 CG PHE A 59 -7.290 4.037 -5.174 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.964 5.363 -4.863 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.663 3.404 -6.268 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.008 6.049 -5.619 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.686 4.087 -7.002 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.347 5.404 -6.671 1.00 0.00 C ATOM 0 H PHE A 59 -9.765 2.615 -2.442 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.160 1.830 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.820 2.573 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.088 4.054 -4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.453 5.858 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.936 2.395 -6.539 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.779 7.079 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.192 3.596 -7.827 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.578 5.921 -7.225 1.00 0.00 H new ATOM 957 N VAL A 60 -5.659 3.129 -1.946 1.00 0.00 N ATOM 958 CA VAL A 60 -4.650 3.942 -1.276 1.00 0.00 C ATOM 959 C VAL A 60 -3.674 4.437 -2.329 1.00 0.00 C ATOM 960 O VAL A 60 -3.587 3.834 -3.396 1.00 0.00 O ATOM 961 CB VAL A 60 -3.899 3.100 -0.239 1.00 0.00 C ATOM 962 CG1 VAL A 60 -2.841 3.905 0.514 1.00 0.00 C ATOM 963 CG2 VAL A 60 -4.882 2.543 0.786 1.00 0.00 C ATOM 0 H VAL A 60 -5.353 2.180 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.124 4.780 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.402 2.300 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.339 3.261 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.110 4.296 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.318 4.733 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.342 1.945 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.388 3.367 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.619 1.919 0.281 1.00 0.00 H new ATOM 973 N ARG A 61 -2.942 5.521 -2.039 1.00 0.00 N ATOM 974 CA ARG A 61 -1.900 6.012 -2.928 1.00 0.00 C ATOM 975 C ARG A 61 -0.731 6.555 -2.103 1.00 0.00 C ATOM 976 O ARG A 61 -0.928 7.417 -1.247 1.00 0.00 O ATOM 977 CB ARG A 61 -2.495 7.043 -3.904 1.00 0.00 C ATOM 978 CG ARG A 61 -2.261 8.497 -3.488 1.00 0.00 C ATOM 979 CD ARG A 61 -2.964 9.448 -4.455 1.00 0.00 C ATOM 980 NE ARG A 61 -2.519 9.221 -5.835 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.344 9.087 -6.874 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.658 9.210 -6.717 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.863 8.828 -8.086 1.00 0.00 N ATOM 0 H ARG A 61 -3.059 6.072 -1.189 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.500 5.201 -3.537 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.064 6.884 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.567 6.869 -3.992 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.633 8.657 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.192 8.710 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.043 9.307 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.760 10.480 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.516 9.162 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.045 9.409 -5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.279 9.105 -7.519 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.857 8.731 -8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.500 8.727 -8.876 1.00 0.00 H new ATOM 997 N PHE A 62 0.483 6.060 -2.356 1.00 0.00 N ATOM 998 CA PHE A 62 1.695 6.633 -1.768 1.00 0.00 C ATOM 999 C PHE A 62 2.241 7.682 -2.724 1.00 0.00 C ATOM 1000 O PHE A 62 1.646 7.917 -3.775 1.00 0.00 O ATOM 1001 CB PHE A 62 2.785 5.582 -1.520 1.00 0.00 C ATOM 1002 CG PHE A 62 2.521 4.603 -0.398 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.272 3.978 -0.243 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.552 4.317 0.506 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.066 3.063 0.796 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.353 3.389 1.532 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.114 2.753 1.669 1.00 0.00 C ATOM 0 H PHE A 62 0.652 5.261 -2.967 1.00 0.00 H new ATOM 0 HA PHE A 62 1.427 7.063 -0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.933 5.017 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.720 6.101 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.468 4.204 -0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.505 4.816 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.100 2.597 0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.155 3.163 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.967 2.022 2.450 1.00 0.00 H new ATOM 1017 N HIS A 63 3.367 8.299 -2.346 1.00 0.00 N ATOM 1018 CA HIS A 63 4.039 9.297 -3.166 1.00 0.00 C ATOM 1019 C HIS A 63 5.546 9.099 -3.239 1.00 0.00 C ATOM 1020 O HIS A 63 6.178 9.527 -4.203 1.00 0.00 O ATOM 1021 CB HIS A 63 3.735 10.710 -2.673 1.00 0.00 C ATOM 1022 CG HIS A 63 3.045 10.886 -1.338 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.071 11.861 -1.116 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.246 10.186 -0.177 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.716 11.733 0.168 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.400 10.738 0.757 1.00 0.00 N ATOM 0 H HIS A 63 3.834 8.115 -1.458 1.00 0.00 H new ATOM 0 HA HIS A 63 3.643 9.165 -4.173 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.678 11.254 -2.631 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.119 11.197 -3.429 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.931 9.365 -0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.979 12.347 0.664 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.308 10.443 1.729 1.00 0.00 H new ATOM 1034 N ASP A 64 6.131 8.455 -2.237 1.00 0.00 N ATOM 1035 CA ASP A 64 7.558 8.161 -2.226 1.00 0.00 C ATOM 1036 C ASP A 64 7.807 6.787 -2.836 1.00 0.00 C ATOM 1037 O ASP A 64 7.182 5.807 -2.433 1.00 0.00 O ATOM 1038 CB ASP A 64 8.045 8.184 -0.786 1.00 0.00 C ATOM 1039 CG ASP A 64 8.372 9.599 -0.327 1.00 0.00 C ATOM 1040 OD1 ASP A 64 7.429 10.306 0.092 1.00 0.00 O ATOM 1041 OD2 ASP A 64 9.566 9.962 -0.400 1.00 0.00 O ATOM 0 H ASP A 64 5.632 8.123 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 64 8.097 8.905 -2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.281 7.758 -0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.931 7.556 -0.691 1.00 0.00 H new ATOM 1046 N LYS A 65 8.723 6.713 -3.807 1.00 0.00 N ATOM 1047 CA LYS A 65 9.020 5.459 -4.479 1.00 0.00 C ATOM 1048 C LYS A 65 9.572 4.427 -3.507 1.00 0.00 C ATOM 1049 O LYS A 65 9.070 3.309 -3.472 1.00 0.00 O ATOM 1050 CB LYS A 65 9.996 5.721 -5.632 1.00 0.00 C ATOM 1051 CG LYS A 65 10.570 4.436 -6.248 1.00 0.00 C ATOM 1052 CD LYS A 65 9.505 3.456 -6.749 1.00 0.00 C ATOM 1053 CE LYS A 65 8.603 4.068 -7.820 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.365 4.428 -9.034 1.00 0.00 N ATOM 0 H LYS A 65 9.267 7.509 -4.140 1.00 0.00 H new ATOM 0 HA LYS A 65 8.096 5.046 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.485 6.291 -6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.817 6.340 -5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.222 4.704 -7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.190 3.934 -5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.993 2.569 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.894 3.128 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.816 3.361 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.114 4.956 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.708 4.745 -9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.031 5.195 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.893 3.598 -9.371 1.00 0.00 H new ATOM 1068 N ARG A 66 10.591 4.785 -2.723 1.00 0.00 N ATOM 1069 CA ARG A 66 11.292 3.823 -1.882 1.00 0.00 C ATOM 1070 C ARG A 66 10.373 3.085 -0.912 1.00 0.00 C ATOM 1071 O ARG A 66 10.603 1.907 -0.640 1.00 0.00 O ATOM 1072 CB ARG A 66 12.468 4.484 -1.156 1.00 0.00 C ATOM 1073 CG ARG A 66 12.082 5.570 -0.145 1.00 0.00 C ATOM 1074 CD ARG A 66 11.705 6.911 -0.791 1.00 0.00 C ATOM 1075 NE ARG A 66 12.801 7.424 -1.624 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.895 8.685 -2.064 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.979 9.597 -1.756 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.923 9.046 -2.828 1.00 0.00 N ATOM 0 H ARG A 66 10.947 5.738 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 66 11.688 3.059 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.035 3.711 -0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.134 4.922 -1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.242 5.216 0.452 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.915 5.729 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.810 6.786 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.464 7.637 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 66 13.542 6.774 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.182 9.343 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.073 10.551 -2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.638 8.362 -3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.996 10.006 -3.164 1.00 0.00 H new ATOM 1092 N ASP A 67 9.331 3.740 -0.388 1.00 0.00 N ATOM 1093 CA ASP A 67 8.445 3.074 0.560 1.00 0.00 C ATOM 1094 C ASP A 67 7.165 2.574 -0.108 1.00 0.00 C ATOM 1095 O ASP A 67 6.412 1.817 0.496 1.00 0.00 O ATOM 1096 CB ASP A 67 8.170 3.958 1.775 1.00 0.00 C ATOM 1097 CG ASP A 67 7.805 5.387 1.417 1.00 0.00 C ATOM 1098 OD1 ASP A 67 6.605 5.633 1.171 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.737 6.224 1.397 1.00 0.00 O ATOM 0 H ASP A 67 9.088 4.708 -0.600 1.00 0.00 H new ATOM 0 HA ASP A 67 8.960 2.186 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.359 3.520 2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.053 3.967 2.415 1.00 0.00 H new ATOM 1104 N ALA A 68 6.916 2.989 -1.352 1.00 0.00 N ATOM 1105 CA ALA A 68 5.857 2.417 -2.158 1.00 0.00 C ATOM 1106 C ALA A 68 6.279 1.010 -2.589 1.00 0.00 C ATOM 1107 O ALA A 68 5.499 0.061 -2.485 1.00 0.00 O ATOM 1108 CB ALA A 68 5.655 3.297 -3.391 1.00 0.00 C ATOM 0 H ALA A 68 7.444 3.727 -1.819 1.00 0.00 H new ATOM 0 HA ALA A 68 4.927 2.362 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.860 2.880 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.381 4.304 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.580 3.335 -3.966 1.00 0.00 H new ATOM 1114 N GLU A 69 7.519 0.865 -3.071 1.00 0.00 N ATOM 1115 CA GLU A 69 8.013 -0.427 -3.513 1.00 0.00 C ATOM 1116 C GLU A 69 8.368 -1.325 -2.330 1.00 0.00 C ATOM 1117 O GLU A 69 8.355 -2.548 -2.471 1.00 0.00 O ATOM 1118 CB GLU A 69 9.214 -0.269 -4.452 1.00 0.00 C ATOM 1119 CG GLU A 69 10.429 0.342 -3.756 1.00 0.00 C ATOM 1120 CD GLU A 69 11.686 0.173 -4.605 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.902 1.028 -5.492 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.422 -0.810 -4.367 1.00 0.00 O ATOM 0 H GLU A 69 8.190 1.628 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 69 7.208 -0.909 -4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.484 -1.244 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.930 0.359 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.251 1.401 -3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.574 -0.133 -2.786 1.00 0.00 H new ATOM 1129 N ASP A 70 8.682 -0.754 -1.161 1.00 0.00 N ATOM 1130 CA ASP A 70 8.927 -1.585 0.007 1.00 0.00 C ATOM 1131 C ASP A 70 7.616 -2.131 0.569 1.00 0.00 C ATOM 1132 O ASP A 70 7.553 -3.293 0.972 1.00 0.00 O ATOM 1133 CB ASP A 70 9.662 -0.764 1.071 1.00 0.00 C ATOM 1134 CG ASP A 70 10.065 -1.636 2.253 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.942 -2.508 2.058 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.495 -1.428 3.349 1.00 0.00 O ATOM 0 H ASP A 70 8.769 0.251 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 70 9.546 -2.433 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.549 -0.306 0.633 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.021 0.048 1.415 1.00 0.00 H new ATOM 1141 N ALA A 71 6.561 -1.312 0.599 1.00 0.00 N ATOM 1142 CA ALA A 71 5.294 -1.750 1.159 1.00 0.00 C ATOM 1143 C ALA A 71 4.694 -2.893 0.346 1.00 0.00 C ATOM 1144 O ALA A 71 4.025 -3.759 0.915 1.00 0.00 O ATOM 1145 CB ALA A 71 4.327 -0.567 1.221 1.00 0.00 C ATOM 0 H ALA A 71 6.564 -0.355 0.245 1.00 0.00 H new ATOM 0 HA ALA A 71 5.470 -2.124 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.376 -0.896 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.750 0.216 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.164 -0.177 0.216 1.00 0.00 H new ATOM 1151 N MET A 72 4.916 -2.916 -0.975 1.00 0.00 N ATOM 1152 CA MET A 72 4.403 -4.019 -1.772 1.00 0.00 C ATOM 1153 C MET A 72 5.279 -5.245 -1.568 1.00 0.00 C ATOM 1154 O MET A 72 4.783 -6.364 -1.469 1.00 0.00 O ATOM 1155 CB MET A 72 4.340 -3.613 -3.247 1.00 0.00 C ATOM 1156 CG MET A 72 5.667 -3.806 -3.986 1.00 0.00 C ATOM 1157 SD MET A 72 5.634 -3.349 -5.738 1.00 0.00 S ATOM 1158 CE MET A 72 4.964 -1.683 -5.571 1.00 0.00 C ATOM 0 H MET A 72 5.431 -2.205 -1.494 1.00 0.00 H new ATOM 0 HA MET A 72 3.391 -4.267 -1.452 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.567 -4.198 -3.745 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.043 -2.567 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.435 -3.216 -3.485 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.964 -4.851 -3.903 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.325 -1.062 -6.391 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.875 -1.724 -5.599 1.00 0.00 H new ATOM 0 HE3 MET A 72 5.286 -1.255 -4.622 1.00 0.00 H new ATOM 1168 N ASP A 73 6.594 -5.027 -1.505 1.00 0.00 N ATOM 1169 CA ASP A 73 7.567 -6.088 -1.331 1.00 0.00 C ATOM 1170 C ASP A 73 7.622 -6.590 0.113 1.00 0.00 C ATOM 1171 O ASP A 73 8.433 -7.463 0.422 1.00 0.00 O ATOM 1172 CB ASP A 73 8.933 -5.579 -1.786 1.00 0.00 C ATOM 1173 CG ASP A 73 9.967 -6.701 -1.854 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.692 -7.695 -2.563 1.00 0.00 O ATOM 1175 OD2 ASP A 73 11.025 -6.560 -1.202 1.00 0.00 O ATOM 0 H ASP A 73 7.009 -4.098 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 73 7.267 -6.941 -1.940 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.838 -5.113 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.280 -4.807 -1.099 1.00 0.00 H new ATOM 1180 N ALA A 74 6.774 -6.056 1.006 1.00 0.00 N ATOM 1181 CA ALA A 74 6.822 -6.429 2.406 1.00 0.00 C ATOM 1182 C ALA A 74 5.454 -6.784 2.979 1.00 0.00 C ATOM 1183 O ALA A 74 5.388 -7.277 4.102 1.00 0.00 O ATOM 1184 CB ALA A 74 7.417 -5.269 3.191 1.00 0.00 C ATOM 0 H ALA A 74 6.056 -5.370 0.774 1.00 0.00 H new ATOM 0 HA ALA A 74 7.436 -7.325 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.462 -5.530 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.423 -5.060 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.793 -4.384 3.062 1.00 0.00 H new ATOM 1190 N MET A 75 4.360 -6.548 2.243 1.00 0.00 N ATOM 1191 CA MET A 75 3.053 -6.861 2.795 1.00 0.00 C ATOM 1192 C MET A 75 1.995 -7.361 1.808 1.00 0.00 C ATOM 1193 O MET A 75 0.957 -7.843 2.251 1.00 0.00 O ATOM 1194 CB MET A 75 2.539 -5.628 3.532 1.00 0.00 C ATOM 1195 CG MET A 75 1.696 -6.064 4.727 1.00 0.00 C ATOM 1196 SD MET A 75 1.261 -4.736 5.885 1.00 0.00 S ATOM 1197 CE MET A 75 0.794 -3.447 4.712 1.00 0.00 C ATOM 0 H MET A 75 4.358 -6.157 1.301 1.00 0.00 H new ATOM 0 HA MET A 75 3.210 -7.713 3.457 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.377 -5.017 3.868 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.944 -5.011 2.859 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.777 -6.519 4.357 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.238 -6.837 5.272 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.429 -2.576 5.255 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.662 -3.165 4.116 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.009 -3.820 4.055 1.00 0.00 H new ATOM 1207 N ASP A 76 2.205 -7.274 0.490 1.00 0.00 N ATOM 1208 CA ASP A 76 1.235 -7.867 -0.426 1.00 0.00 C ATOM 1209 C ASP A 76 1.097 -9.360 -0.123 1.00 0.00 C ATOM 1210 O ASP A 76 2.091 -10.081 -0.022 1.00 0.00 O ATOM 1211 CB ASP A 76 1.652 -7.627 -1.879 1.00 0.00 C ATOM 1212 CG ASP A 76 1.288 -8.793 -2.795 1.00 0.00 C ATOM 1213 OD1 ASP A 76 0.078 -8.957 -3.065 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.217 -9.511 -3.222 1.00 0.00 O ATOM 0 H ASP A 76 3.004 -6.818 0.050 1.00 0.00 H new ATOM 0 HA ASP A 76 0.264 -7.393 -0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.173 -6.719 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.728 -7.459 -1.921 1.00 0.00 H new ATOM 1219 N GLY A 77 -0.152 -9.811 0.021 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.457 -11.216 0.216 1.00 0.00 C ATOM 1221 C GLY A 77 -0.125 -11.728 1.621 1.00 0.00 C ATOM 1222 O GLY A 77 0.194 -12.907 1.764 1.00 0.00 O ATOM 0 H GLY A 77 -0.974 -9.207 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.517 -11.379 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.097 -11.804 -0.516 1.00 0.00 H new ATOM 1226 N ALA A 78 -0.189 -10.878 2.656 1.00 0.00 N ATOM 1227 CA ALA A 78 0.105 -11.323 4.020 1.00 0.00 C ATOM 1228 C ALA A 78 -1.122 -12.011 4.628 1.00 0.00 C ATOM 1229 O ALA A 78 -1.431 -11.842 5.806 1.00 0.00 O ATOM 1230 CB ALA A 78 0.575 -10.133 4.862 1.00 0.00 C ATOM 0 H ALA A 78 -0.438 -9.892 2.574 1.00 0.00 H new ATOM 0 HA ALA A 78 0.911 -12.056 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.793 -10.468 5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.475 -9.707 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.208 -9.376 4.891 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.826 -12.788 3.800 1.00 0.00 N ATOM 1237 CA VAL A 79 -3.133 -13.350 4.104 1.00 0.00 C ATOM 1238 C VAL A 79 -3.106 -14.435 5.168 1.00 0.00 C ATOM 1239 O VAL A 79 -2.065 -15.012 5.478 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.768 -13.873 2.816 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -5.232 -14.242 2.936 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.587 -12.879 1.673 1.00 0.00 C ATOM 0 H VAL A 79 -1.487 -13.047 2.874 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.735 -12.545 4.527 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.234 -14.799 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.596 -14.602 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.350 -15.025 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.805 -13.364 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.048 -13.276 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.060 -11.933 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.524 -12.717 1.497 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.298 -14.696 5.715 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.502 -15.701 6.749 1.00 0.00 C ATOM 1254 C LEU A 80 -5.956 -16.181 6.822 1.00 0.00 C ATOM 1255 O LEU A 80 -6.305 -16.901 7.758 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.024 -15.150 8.102 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.387 -13.678 8.353 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.878 -13.401 8.167 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.999 -13.307 9.783 1.00 0.00 C ATOM 0 H LEU A 80 -5.152 -14.208 5.446 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.909 -16.578 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.452 -15.758 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.941 -15.260 8.163 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.842 -13.079 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.079 -12.347 8.357 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.169 -13.648 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.451 -14.011 8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.253 -12.264 9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.540 -13.943 10.483 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.927 -13.449 9.918 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.811 -15.807 5.861 1.00 0.00 N ATOM 1272 CA ASP A 81 -8.211 -16.218 5.891 1.00 0.00 C ATOM 1273 C ASP A 81 -8.839 -16.377 4.499 1.00 0.00 C ATOM 1274 O ASP A 81 -10.024 -16.690 4.388 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.996 -15.199 6.723 1.00 0.00 C ATOM 1276 CG ASP A 81 -10.415 -15.669 7.027 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.547 -16.763 7.622 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -11.358 -14.934 6.660 1.00 0.00 O ATOM 0 H ASP A 81 -6.556 -15.226 5.062 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.255 -17.209 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.469 -15.014 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.037 -14.250 6.187 1.00 0.00 H new ATOM 1283 N GLY A 82 -8.064 -16.166 3.430 1.00 0.00 N ATOM 1284 CA GLY A 82 -8.552 -16.323 2.059 1.00 0.00 C ATOM 1285 C GLY A 82 -8.109 -15.184 1.143 1.00 0.00 C ATOM 1286 O GLY A 82 -8.077 -15.354 -0.076 1.00 0.00 O ATOM 0 H GLY A 82 -7.086 -15.883 3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.192 -17.269 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.641 -16.374 2.069 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.775 -14.035 1.739 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.276 -12.826 1.084 1.00 0.00 C ATOM 1292 C ARG A 83 -7.157 -11.749 2.153 1.00 0.00 C ATOM 1293 O ARG A 83 -8.067 -11.584 2.961 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.167 -12.359 -0.072 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.526 -11.833 0.389 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.561 -10.308 0.538 1.00 0.00 C ATOM 1297 NE ARG A 83 -10.948 -9.835 0.616 1.00 0.00 N ATOM 1298 CZ ARG A 83 -11.607 -9.240 -0.384 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -11.023 -9.019 -1.562 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -12.870 -8.865 -0.202 1.00 0.00 N ATOM 0 H ARG A 83 -7.851 -13.919 2.750 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.308 -13.039 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.651 -11.575 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.321 -13.189 -0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.289 -12.140 -0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.781 -12.291 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.017 -10.011 1.435 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -9.058 -9.842 -0.309 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.445 -9.970 1.496 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -10.056 -9.305 -1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.543 -8.564 -2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.327 -9.032 0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -13.381 -8.410 -0.959 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.042 -11.016 2.165 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.866 -9.936 3.120 1.00 0.00 C ATOM 1316 C GLU A 84 -5.371 -8.662 2.433 1.00 0.00 C ATOM 1317 O GLU A 84 -5.768 -7.568 2.824 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.927 -10.317 4.263 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.503 -11.339 5.246 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.737 -10.827 5.984 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -6.667 -9.692 6.512 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.742 -11.571 6.010 1.00 0.00 O ATOM 0 H GLU A 84 -5.258 -11.154 1.528 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.849 -9.743 3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.006 -10.718 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.660 -9.414 4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.762 -12.249 4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.737 -11.607 5.973 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.505 -8.800 1.417 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.877 -7.660 0.758 1.00 0.00 C ATOM 1331 C LEU A 85 -3.513 -7.950 -0.692 1.00 0.00 C ATOM 1332 O LEU A 85 -3.252 -9.099 -1.051 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.555 -7.270 1.431 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.679 -6.997 2.924 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.325 -8.261 3.682 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.747 -5.858 3.304 1.00 0.00 C ATOM 0 H LEU A 85 -4.226 -9.704 1.036 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.620 -6.865 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.831 -8.070 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.158 -6.381 0.941 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.699 -6.707 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.410 -8.079 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.008 -9.061 3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.302 -8.554 3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.832 -5.659 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.719 -6.134 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.020 -4.963 2.745 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.500 -6.884 -1.498 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.947 -6.841 -2.845 1.00 0.00 C ATOM 1350 C ARG A 86 -2.526 -5.396 -3.090 1.00 0.00 C ATOM 1351 O ARG A 86 -3.346 -4.485 -2.991 1.00 0.00 O ATOM 1352 CB ARG A 86 -3.966 -7.295 -3.897 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.192 -8.806 -3.901 1.00 0.00 C ATOM 1354 CD ARG A 86 -2.872 -9.556 -4.089 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.086 -11.002 -4.162 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.123 -11.910 -3.977 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -0.880 -11.528 -3.685 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.395 -13.206 -4.084 1.00 0.00 N ATOM 0 H ARG A 86 -3.894 -5.988 -1.211 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.103 -7.525 -2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.916 -6.792 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.624 -6.982 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.657 -9.110 -2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.883 -9.072 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.383 -9.212 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.201 -9.327 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.027 -11.337 -4.367 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.658 -10.536 -3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.151 -12.228 -3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.342 -13.512 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.657 -13.895 -3.942 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.250 -5.182 -3.408 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.702 -3.848 -3.587 1.00 0.00 C ATOM 1374 C VAL A 87 0.288 -3.806 -4.752 1.00 0.00 C ATOM 1375 O VAL A 87 1.114 -4.703 -4.919 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.079 -3.372 -2.265 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.789 -4.420 -1.586 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.789 -2.139 -2.469 1.00 0.00 C ATOM 0 H VAL A 87 -0.572 -5.931 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.504 -3.158 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.935 -3.153 -1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.194 -4.012 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.188 -5.301 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.608 -4.699 -2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.213 -1.830 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.595 -2.372 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.182 -1.330 -2.875 1.00 0.00 H new ATOM 1388 N GLN A 88 0.189 -2.745 -5.563 1.00 0.00 N ATOM 1389 CA GLN A 88 0.994 -2.528 -6.755 1.00 0.00 C ATOM 1390 C GLN A 88 0.855 -1.080 -7.211 1.00 0.00 C ATOM 1391 O GLN A 88 0.025 -0.336 -6.696 1.00 0.00 O ATOM 1392 CB GLN A 88 0.539 -3.477 -7.871 1.00 0.00 C ATOM 1393 CG GLN A 88 -0.918 -3.217 -8.261 1.00 0.00 C ATOM 1394 CD GLN A 88 -1.334 -4.095 -9.435 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.532 -5.297 -9.285 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -1.470 -3.500 -10.615 1.00 0.00 N ATOM 0 H GLN A 88 -0.479 -1.993 -5.395 1.00 0.00 H new ATOM 0 HA GLN A 88 2.040 -2.730 -6.525 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.180 -3.350 -8.744 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.651 -4.510 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.567 -3.413 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.046 -2.167 -8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.297 -2.499 -10.704 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.747 -4.045 -11.432 1.00 0.00 H new ATOM 1405 N MET A 89 1.669 -0.683 -8.185 1.00 0.00 N ATOM 1406 CA MET A 89 1.680 0.670 -8.710 1.00 0.00 C ATOM 1407 C MET A 89 0.401 0.950 -9.503 1.00 0.00 C ATOM 1408 O MET A 89 -0.091 0.079 -10.222 1.00 0.00 O ATOM 1409 CB MET A 89 2.909 0.802 -9.605 1.00 0.00 C ATOM 1410 CG MET A 89 4.150 0.644 -8.729 1.00 0.00 C ATOM 1411 SD MET A 89 4.701 2.185 -7.966 1.00 0.00 S ATOM 1412 CE MET A 89 5.939 1.506 -6.834 1.00 0.00 C ATOM 0 H MET A 89 2.345 -1.302 -8.634 1.00 0.00 H new ATOM 0 HA MET A 89 1.721 1.395 -7.897 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.895 0.042 -10.386 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.915 1.771 -10.103 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.941 -0.084 -7.946 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.961 0.238 -9.333 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.641 2.290 -6.549 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.444 1.120 -5.943 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.479 0.698 -7.327 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.132 2.168 -9.373 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.286 2.605 -10.145 1.00 0.00 C ATOM 1424 C ALA A 90 -0.898 2.786 -11.618 1.00 0.00 C ATOM 1425 O ALA A 90 0.279 2.956 -11.942 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.816 3.916 -9.571 1.00 0.00 C ATOM 0 H ALA A 90 0.227 2.873 -8.730 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.068 1.848 -10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.680 4.243 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.110 3.766 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.037 4.677 -9.621 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.891 2.750 -12.511 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.709 3.025 -13.933 1.00 0.00 C ATOM 1434 C ARG A 91 -2.976 3.669 -14.491 1.00 0.00 C ATOM 1435 O ARG A 91 -3.230 3.646 -15.693 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.348 1.728 -14.662 1.00 0.00 C ATOM 1437 CG ARG A 91 -0.656 2.015 -15.996 1.00 0.00 C ATOM 1438 CD ARG A 91 -0.277 0.698 -16.667 1.00 0.00 C ATOM 1439 NE ARG A 91 0.385 0.932 -17.954 1.00 0.00 N ATOM 1440 CZ ARG A 91 0.878 -0.040 -18.726 1.00 0.00 C ATOM 1441 NH1 ARG A 91 0.793 -1.316 -18.351 1.00 0.00 N ATOM 1442 NH2 ARG A 91 1.461 0.259 -19.882 1.00 0.00 N ATOM 0 H ARG A 91 -2.854 2.526 -12.261 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.888 3.726 -14.084 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.694 1.125 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.251 1.143 -14.837 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.318 2.589 -16.645 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.235 2.622 -15.833 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.384 0.130 -16.013 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.171 0.093 -16.819 1.00 0.00 H new ATOM 0 HE ARG A 91 0.474 1.895 -18.279 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.348 -1.559 -17.466 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.173 -2.050 -18.949 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.532 1.232 -20.181 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.837 -0.484 -20.471 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.773 4.248 -13.590 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.064 4.845 -13.881 1.00 0.00 C ATOM 1458 C TYR A 92 -5.238 6.027 -12.929 1.00 0.00 C ATOM 1459 O TYR A 92 -4.675 6.019 -11.833 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.106 3.742 -13.703 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.561 4.139 -13.789 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -8.005 5.143 -14.659 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -8.475 3.470 -12.974 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -9.362 5.506 -14.672 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -9.829 3.822 -12.969 1.00 0.00 C ATOM 1466 CZ TYR A 92 -10.282 4.851 -13.824 1.00 0.00 C ATOM 1467 OH TYR A 92 -11.598 5.201 -13.831 1.00 0.00 O ATOM 0 H TYR A 92 -3.521 4.313 -12.604 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.165 5.233 -14.895 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.920 2.978 -14.458 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.941 3.276 -12.731 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.306 5.637 -15.318 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.132 2.668 -12.337 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.703 6.289 -15.333 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.522 3.311 -12.317 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.087 4.647 -13.187 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.005 7.047 -13.327 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.058 8.315 -12.605 1.00 0.00 C ATOM 1479 C GLY A 93 -7.355 8.534 -11.832 1.00 0.00 C ATOM 1480 O GLY A 93 -8.248 7.690 -11.843 1.00 0.00 O ATOM 0 H GLY A 93 -6.602 7.014 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.220 8.361 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.928 9.132 -13.315 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.439 9.685 -11.153 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.587 10.049 -10.324 1.00 0.00 C ATOM 1486 C ARG A 94 -9.860 10.163 -11.168 1.00 0.00 C ATOM 1487 O ARG A 94 -9.773 10.386 -12.374 1.00 0.00 O ATOM 1488 CB ARG A 94 -8.312 11.375 -9.611 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.000 11.345 -8.826 1.00 0.00 C ATOM 1490 CD ARG A 94 -6.926 12.523 -7.851 1.00 0.00 C ATOM 1491 NE ARG A 94 -7.073 13.811 -8.541 1.00 0.00 N ATOM 1492 CZ ARG A 94 -7.216 14.978 -7.906 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -7.233 15.024 -6.575 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -7.343 16.106 -8.597 1.00 0.00 N ATOM 0 H ARG A 94 -6.705 10.393 -11.166 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.739 9.264 -9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.276 12.180 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.135 11.599 -8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.920 10.407 -8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.157 11.384 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.708 12.422 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.972 12.500 -7.324 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.066 13.815 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.136 14.165 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.342 15.918 -6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.332 16.083 -9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.452 16.994 -8.108 1.00 0.00 H new ATOM 1508 N PRO A 95 -11.035 10.018 -10.539 1.00 0.00 N ATOM 1509 CA PRO A 95 -12.331 10.139 -11.189 1.00 0.00 C ATOM 1510 C PRO A 95 -12.442 11.318 -12.157 1.00 0.00 C ATOM 1511 O PRO A 95 -12.377 12.469 -11.724 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.323 10.291 -10.038 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.690 9.457 -8.926 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.197 9.704 -9.128 1.00 0.00 C ATOM 0 HA PRO A 95 -12.518 9.268 -11.817 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.442 11.333 -9.743 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.312 9.921 -10.307 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.024 9.778 -7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.942 8.401 -9.019 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.848 10.525 -8.502 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.614 8.825 -8.854 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.608 11.060 -13.463 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.961 12.089 -14.429 1.00 0.00 C ATOM 1524 C PRO A 96 -14.451 12.395 -14.319 1.00 0.00 C ATOM 1525 O PRO A 96 -14.912 13.477 -14.679 1.00 0.00 O ATOM 1526 CB PRO A 96 -12.653 11.467 -15.788 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.893 9.974 -15.555 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.484 9.763 -14.099 1.00 0.00 C ATOM 0 HA PRO A 96 -12.418 13.021 -14.272 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -13.304 11.862 -16.568 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.627 11.666 -16.098 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.936 9.706 -15.720 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.296 9.362 -16.231 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.126 9.027 -13.615 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.462 9.389 -14.030 1.00 0.00 H new ATOM 1536 N ASP A 97 -15.197 11.414 -13.803 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.620 11.488 -13.518 1.00 0.00 C ATOM 1538 C ASP A 97 -16.916 10.447 -12.440 1.00 0.00 C ATOM 1539 O ASP A 97 -16.115 9.540 -12.228 1.00 0.00 O ATOM 1540 CB ASP A 97 -17.411 11.188 -14.789 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.909 11.323 -14.552 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.424 12.449 -14.718 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.527 10.292 -14.201 1.00 0.00 O ATOM 0 H ASP A 97 -14.799 10.506 -13.564 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.906 12.482 -13.173 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.103 11.870 -15.581 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.184 10.178 -15.132 1.00 0.00 H new ATOM 1548 N SER A 98 -18.051 10.557 -11.745 1.00 0.00 N ATOM 1549 CA SER A 98 -18.328 9.655 -10.640 1.00 0.00 C ATOM 1550 C SER A 98 -18.628 8.230 -11.100 1.00 0.00 C ATOM 1551 O SER A 98 -18.148 7.287 -10.470 1.00 0.00 O ATOM 1552 CB SER A 98 -19.501 10.174 -9.817 1.00 0.00 C ATOM 1553 OG SER A 98 -19.243 11.492 -9.389 1.00 0.00 O ATOM 0 H SER A 98 -18.777 11.250 -11.928 1.00 0.00 H new ATOM 0 HA SER A 98 -17.424 9.622 -10.032 1.00 0.00 H new ATOM 0 HB2 SER A 98 -20.414 10.148 -10.413 1.00 0.00 H new ATOM 0 HB3 SER A 98 -19.665 9.528 -8.954 1.00 0.00 H new ATOM 0 HG SER A 98 -20.002 11.819 -8.862 1.00 0.00 H new ATOM 1559 N HIS A 99 -19.407 8.047 -12.172 1.00 0.00 N ATOM 1560 CA HIS A 99 -19.799 6.701 -12.584 1.00 0.00 C ATOM 1561 C HIS A 99 -20.486 6.681 -13.953 1.00 0.00 C ATOM 1562 O HIS A 99 -21.193 5.726 -14.274 1.00 0.00 O ATOM 1563 CB HIS A 99 -20.715 6.109 -11.506 1.00 0.00 C ATOM 1564 CG HIS A 99 -20.988 4.637 -11.687 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -20.019 3.660 -11.935 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -22.218 4.047 -11.627 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -20.698 2.500 -12.018 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -22.016 2.706 -11.841 1.00 0.00 N ATOM 0 H HIS A 99 -19.771 8.799 -12.757 1.00 0.00 H new ATOM 0 HA HIS A 99 -18.898 6.096 -12.690 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -20.261 6.268 -10.528 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -21.662 6.649 -11.509 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.163 4.538 -11.447 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -20.247 1.536 -12.202 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -22.741 1.989 -11.862 1.00 0.00 H new ATOM 1576 N HIS A 100 -20.302 7.717 -14.776 1.00 0.00 N ATOM 1577 CA HIS A 100 -20.993 7.832 -16.056 1.00 0.00 C ATOM 1578 C HIS A 100 -20.039 8.146 -17.209 1.00 0.00 C ATOM 1579 O HIS A 100 -20.480 8.383 -18.334 1.00 0.00 O ATOM 1580 CB HIS A 100 -22.099 8.887 -15.924 1.00 0.00 C ATOM 1581 CG HIS A 100 -23.045 8.919 -17.096 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -23.330 10.045 -17.877 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -23.768 7.860 -17.565 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -24.219 9.631 -18.793 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -24.500 8.326 -18.633 1.00 0.00 N ATOM 0 H HIS A 100 -19.673 8.494 -14.572 1.00 0.00 H new ATOM 0 HA HIS A 100 -21.439 6.869 -16.304 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -22.667 8.694 -15.014 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -21.641 9.869 -15.811 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -23.766 6.853 -17.174 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -24.651 10.261 -19.556 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -25.143 7.777 -19.204 1.00 0.00 H new ATOM 1593 N SER A 101 -18.727 8.146 -16.944 1.00 0.00 N ATOM 1594 CA SER A 101 -17.709 8.361 -17.965 1.00 0.00 C ATOM 1595 C SER A 101 -16.421 7.648 -17.575 1.00 0.00 C ATOM 1596 O SER A 101 -15.920 7.920 -16.464 1.00 0.00 O ATOM 1597 CB SER A 101 -17.459 9.858 -18.144 1.00 0.00 C ATOM 1598 OG SER A 101 -16.581 10.062 -19.229 1.00 0.00 O ATOM 1599 OXT SER A 101 -15.951 6.832 -18.399 1.00 0.00 O ATOM 0 H SER A 101 -18.346 7.996 -16.010 1.00 0.00 H new ATOM 0 HA SER A 101 -18.060 7.950 -18.912 1.00 0.00 H new ATOM 0 HB2 SER A 101 -18.401 10.376 -18.323 1.00 0.00 H new ATOM 0 HB3 SER A 101 -17.032 10.278 -17.233 1.00 0.00 H new ATOM 0 HG SER A 101 -16.422 11.022 -19.345 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -12.122 -3.315 -13.585 1.00 0.00 O ATOM 1607 C5' U B 102 -12.604 -4.179 -12.576 1.00 0.00 C ATOM 1608 C4' U B 102 -12.134 -3.696 -11.203 1.00 0.00 C ATOM 1609 O4' U B 102 -12.785 -2.474 -10.897 1.00 0.00 O ATOM 1610 C3' U B 102 -12.545 -4.706 -10.127 1.00 0.00 C ATOM 1611 O3' U B 102 -11.703 -4.641 -8.988 1.00 0.00 O ATOM 1612 C2' U B 102 -13.943 -4.210 -9.787 1.00 0.00 C ATOM 1613 O2' U B 102 -14.363 -4.619 -8.504 1.00 0.00 O ATOM 1614 C1' U B 102 -13.749 -2.701 -9.884 1.00 0.00 C ATOM 1615 N1 U B 102 -15.055 -2.035 -10.099 1.00 0.00 N ATOM 1616 C2 U B 102 -15.414 -1.517 -11.343 1.00 0.00 C ATOM 1617 O2 U B 102 -14.711 -1.597 -12.349 1.00 0.00 O ATOM 1618 N3 U B 102 -16.643 -0.878 -11.405 1.00 0.00 N ATOM 1619 C4 U B 102 -17.545 -0.736 -10.363 1.00 0.00 C ATOM 1620 O4 U B 102 -18.611 -0.147 -10.538 1.00 0.00 O ATOM 1621 C5 U B 102 -17.105 -1.331 -9.124 1.00 0.00 C ATOM 1622 C6 U B 102 -15.907 -1.953 -9.035 1.00 0.00 C ATOM 0 H5' U B 102 -12.248 -5.194 -12.755 1.00 0.00 H new ATOM 0 H5'' U B 102 -13.693 -4.213 -12.605 1.00 0.00 H new ATOM 0 H4' U B 102 -11.051 -3.577 -11.224 1.00 0.00 H new ATOM 0 H3' U B 102 -12.488 -5.744 -10.454 1.00 0.00 H new ATOM 0 H2' U B 102 -14.725 -4.601 -10.438 1.00 0.00 H new ATOM 0 HO2' U B 102 -13.579 -4.768 -7.935 1.00 0.00 H new ATOM 0 HO5' U B 102 -12.427 -3.633 -14.461 1.00 0.00 H new ATOM 0 H1' U B 102 -13.369 -2.261 -8.962 1.00 0.00 H new ATOM 0 H3 U B 102 -16.908 -0.474 -12.303 1.00 0.00 H new ATOM 0 H5 U B 102 -17.742 -1.279 -8.254 1.00 0.00 H new ATOM 0 H6 U B 102 -15.616 -2.398 -8.095 1.00 0.00 H new ATOM 1634 P G B 103 -10.118 -4.897 -9.100 1.00 0.00 P ATOM 1635 OP1 G B 103 -9.844 -5.611 -10.365 1.00 0.00 O ATOM 1636 OP2 G B 103 -9.649 -5.479 -7.821 1.00 0.00 O ATOM 1637 O5' G B 103 -9.544 -3.401 -9.220 1.00 0.00 O ATOM 1638 C5' G B 103 -9.513 -2.574 -8.075 1.00 0.00 C ATOM 1639 C4' G B 103 -9.073 -1.149 -8.421 1.00 0.00 C ATOM 1640 O4' G B 103 -7.747 -1.088 -8.905 1.00 0.00 O ATOM 1641 C3' G B 103 -9.960 -0.467 -9.468 1.00 0.00 C ATOM 1642 O3' G B 103 -10.898 0.327 -8.770 1.00 0.00 O ATOM 1643 C2' G B 103 -8.958 0.331 -10.307 1.00 0.00 C ATOM 1644 O2' G B 103 -9.259 1.705 -10.414 1.00 0.00 O ATOM 1645 C1' G B 103 -7.667 0.169 -9.535 1.00 0.00 C ATOM 1646 N9 G B 103 -6.499 0.302 -10.422 1.00 0.00 N ATOM 1647 C8 G B 103 -5.752 1.422 -10.632 1.00 0.00 C ATOM 1648 N7 G B 103 -4.748 1.251 -11.449 1.00 0.00 N ATOM 1649 C5 G B 103 -4.850 -0.088 -11.821 1.00 0.00 C ATOM 1650 C6 G B 103 -4.026 -0.875 -12.679 1.00 0.00 C ATOM 1651 O6 G B 103 -3.015 -0.539 -13.290 1.00 0.00 O ATOM 1652 N1 G B 103 -4.486 -2.180 -12.793 1.00 0.00 N ATOM 1653 C2 G B 103 -5.593 -2.677 -12.151 1.00 0.00 C ATOM 1654 N2 G B 103 -5.900 -3.953 -12.373 1.00 0.00 N ATOM 1655 N3 G B 103 -6.361 -1.956 -11.325 1.00 0.00 N ATOM 1656 C4 G B 103 -5.933 -0.675 -11.208 1.00 0.00 C ATOM 0 H5' G B 103 -8.831 -2.997 -7.338 1.00 0.00 H new ATOM 0 H5'' G B 103 -10.502 -2.549 -7.617 1.00 0.00 H new ATOM 0 H4' G B 103 -9.159 -0.623 -7.470 1.00 0.00 H new ATOM 0 H3' G B 103 -10.545 -1.122 -10.114 1.00 0.00 H new ATOM 0 H2' G B 103 -8.943 -0.031 -11.335 1.00 0.00 H new ATOM 0 HO2' G B 103 -10.082 1.820 -10.933 1.00 0.00 H new ATOM 0 H1' G B 103 -7.535 0.951 -8.787 1.00 0.00 H new ATOM 0 H8 G B 103 -5.972 2.370 -10.163 1.00 0.00 H new ATOM 0 H1 G B 103 -3.964 -2.815 -13.397 1.00 0.00 H new ATOM 0 H21 G B 103 -6.713 -4.368 -11.919 1.00 0.00 H new ATOM 0 H22 G B 103 -5.322 -4.515 -12.997 1.00 0.00 H new ATOM 1668 P G B 104 -12.127 1.064 -9.503 1.00 0.00 P ATOM 1669 OP1 G B 104 -13.362 0.285 -9.249 1.00 0.00 O ATOM 1670 OP2 G B 104 -11.747 1.416 -10.891 1.00 0.00 O ATOM 1671 O5' G B 104 -12.192 2.416 -8.636 1.00 0.00 O ATOM 1672 C5' G B 104 -11.133 3.350 -8.667 1.00 0.00 C ATOM 1673 C4' G B 104 -11.397 4.435 -7.629 1.00 0.00 C ATOM 1674 O4' G B 104 -10.299 4.630 -6.756 1.00 0.00 O ATOM 1675 C3' G B 104 -11.645 5.804 -8.240 1.00 0.00 C ATOM 1676 O3' G B 104 -12.807 5.945 -9.050 1.00 0.00 O ATOM 1677 C2' G B 104 -11.524 6.658 -6.985 1.00 0.00 C ATOM 1678 O2' G B 104 -12.635 6.540 -6.123 1.00 0.00 O ATOM 1679 C1' G B 104 -10.310 5.992 -6.339 1.00 0.00 C ATOM 1680 N9 G B 104 -9.120 6.739 -6.797 1.00 0.00 N ATOM 1681 C8 G B 104 -8.619 7.902 -6.277 1.00 0.00 C ATOM 1682 N7 G B 104 -7.586 8.369 -6.920 1.00 0.00 N ATOM 1683 C5 G B 104 -7.362 7.425 -7.926 1.00 0.00 C ATOM 1684 C6 G B 104 -6.350 7.371 -8.927 1.00 0.00 C ATOM 1685 O6 G B 104 -5.461 8.184 -9.167 1.00 0.00 O ATOM 1686 N1 G B 104 -6.440 6.222 -9.692 1.00 0.00 N ATOM 1687 C2 G B 104 -7.425 5.276 -9.561 1.00 0.00 C ATOM 1688 N2 G B 104 -7.389 4.253 -10.407 1.00 0.00 N ATOM 1689 N3 G B 104 -8.390 5.329 -8.646 1.00 0.00 N ATOM 1690 C4 G B 104 -8.293 6.419 -7.847 1.00 0.00 C ATOM 0 H5' G B 104 -11.049 3.791 -9.660 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.186 2.852 -8.459 1.00 0.00 H new ATOM 0 H4' G B 104 -12.279 4.068 -7.105 1.00 0.00 H new ATOM 0 H3' G B 104 -10.954 6.094 -9.031 1.00 0.00 H new ATOM 0 H2' G B 104 -11.453 7.726 -7.192 1.00 0.00 H new ATOM 0 HO2' G B 104 -12.689 7.332 -5.549 1.00 0.00 H new ATOM 0 H1' G B 104 -10.330 6.008 -5.249 1.00 0.00 H new ATOM 0 H8 G B 104 -9.042 8.389 -5.411 1.00 0.00 H new ATOM 0 H1 G B 104 -5.725 6.067 -10.403 1.00 0.00 H new ATOM 0 H21 G B 104 -8.098 3.521 -10.353 1.00 0.00 H new ATOM 0 H22 G B 104 -6.653 4.199 -11.111 1.00 0.00 H new ATOM 1702 P A B 105 -14.314 5.581 -8.588 1.00 0.00 P ATOM 1703 OP1 A B 105 -14.293 4.502 -7.582 1.00 0.00 O ATOM 1704 OP2 A B 105 -15.125 5.403 -9.817 1.00 0.00 O ATOM 1705 O5' A B 105 -14.810 6.928 -7.853 1.00 0.00 O ATOM 1706 C5' A B 105 -15.552 7.887 -8.575 1.00 0.00 C ATOM 1707 C4' A B 105 -15.997 9.079 -7.724 1.00 0.00 C ATOM 1708 O4' A B 105 -17.417 9.125 -7.717 1.00 0.00 O ATOM 1709 C3' A B 105 -15.588 8.986 -6.250 1.00 0.00 C ATOM 1710 O3' A B 105 -15.353 10.271 -5.683 1.00 0.00 O ATOM 1711 C2' A B 105 -16.780 8.255 -5.613 1.00 0.00 C ATOM 1712 O2' A B 105 -17.183 8.858 -4.400 1.00 0.00 O ATOM 1713 C1' A B 105 -17.900 8.323 -6.659 1.00 0.00 C ATOM 1714 N9 A B 105 -18.322 6.978 -7.116 1.00 0.00 N ATOM 1715 C8 A B 105 -17.566 5.846 -7.194 1.00 0.00 C ATOM 1716 N7 A B 105 -18.193 4.776 -7.586 1.00 0.00 N ATOM 1717 C5 A B 105 -19.488 5.236 -7.789 1.00 0.00 C ATOM 1718 C6 A B 105 -20.680 4.595 -8.184 1.00 0.00 C ATOM 1719 N6 A B 105 -20.756 3.297 -8.493 1.00 0.00 N ATOM 1720 N1 A B 105 -21.798 5.322 -8.247 1.00 0.00 N ATOM 1721 C2 A B 105 -21.737 6.611 -7.943 1.00 0.00 C ATOM 1722 N3 A B 105 -20.690 7.343 -7.591 1.00 0.00 N ATOM 1723 C4 A B 105 -19.574 6.578 -7.521 1.00 0.00 C ATOM 0 H5' A B 105 -16.432 7.407 -9.003 1.00 0.00 H new ATOM 0 H5'' A B 105 -14.950 8.250 -9.408 1.00 0.00 H new ATOM 0 H4' A B 105 -15.519 9.952 -8.168 1.00 0.00 H new ATOM 0 H3' A B 105 -14.645 8.463 -6.090 1.00 0.00 H new ATOM 0 H2' A B 105 -16.520 7.228 -5.355 1.00 0.00 H new ATOM 0 HO2' A B 105 -17.623 9.713 -4.590 1.00 0.00 H new ATOM 0 H1' A B 105 -18.800 8.762 -6.230 1.00 0.00 H new ATOM 0 H8 A B 105 -16.515 5.838 -6.946 1.00 0.00 H new ATOM 0 H61 A B 105 -21.649 2.891 -8.772 1.00 0.00 H new ATOM 0 H62 A B 105 -19.921 2.713 -8.450 1.00 0.00 H new ATOM 0 H2 A B 105 -22.677 7.141 -7.989 1.00 0.00 H new ATOM 1735 P G B 106 -16.342 11.524 -5.889 1.00 0.00 P ATOM 1736 OP1 G B 106 -17.745 11.083 -5.720 1.00 0.00 O ATOM 1737 OP2 G B 106 -15.940 12.244 -7.119 1.00 0.00 O ATOM 1738 O5' G B 106 -15.980 12.432 -4.607 1.00 0.00 O ATOM 1739 C5' G B 106 -16.462 12.049 -3.333 1.00 0.00 C ATOM 1740 C4' G B 106 -15.911 12.892 -2.180 1.00 0.00 C ATOM 1741 O4' G B 106 -14.529 12.643 -1.981 1.00 0.00 O ATOM 1742 C3' G B 106 -16.063 14.404 -2.387 1.00 0.00 C ATOM 1743 O3' G B 106 -16.234 15.042 -1.132 1.00 0.00 O ATOM 1744 C2' G B 106 -14.733 14.770 -3.026 1.00 0.00 C ATOM 1745 O2' G B 106 -14.281 15.999 -2.514 1.00 0.00 O ATOM 1746 C1' G B 106 -13.779 13.667 -2.609 1.00 0.00 C ATOM 1747 N9 G B 106 -12.943 13.133 -3.707 1.00 0.00 N ATOM 1748 C8 G B 106 -13.131 13.136 -5.064 1.00 0.00 C ATOM 1749 N7 G B 106 -12.169 12.566 -5.736 1.00 0.00 N ATOM 1750 C5 G B 106 -11.270 12.153 -4.750 1.00 0.00 C ATOM 1751 C6 G B 106 -10.031 11.453 -4.856 1.00 0.00 C ATOM 1752 O6 G B 106 -9.461 11.051 -5.868 1.00 0.00 O ATOM 1753 N1 G B 106 -9.455 11.232 -3.613 1.00 0.00 N ATOM 1754 C2 G B 106 -9.986 11.657 -2.418 1.00 0.00 C ATOM 1755 N2 G B 106 -9.303 11.389 -1.311 1.00 0.00 N ATOM 1756 N3 G B 106 -11.139 12.319 -2.309 1.00 0.00 N ATOM 1757 C4 G B 106 -11.735 12.516 -3.511 1.00 0.00 C ATOM 0 H5' G B 106 -16.208 11.003 -3.159 1.00 0.00 H new ATOM 0 H5'' G B 106 -17.550 12.117 -3.332 1.00 0.00 H new ATOM 0 H4' G B 106 -16.506 12.592 -1.317 1.00 0.00 H new ATOM 0 H3' G B 106 -16.921 14.701 -2.990 1.00 0.00 H new ATOM 0 H2' G B 106 -14.810 14.866 -4.109 1.00 0.00 H new ATOM 0 HO2' G B 106 -14.622 16.119 -1.603 1.00 0.00 H new ATOM 0 H1' G B 106 -13.059 14.099 -1.914 1.00 0.00 H new ATOM 0 H8 G B 106 -13.999 13.572 -5.536 1.00 0.00 H new ATOM 0 H1 G B 106 -8.575 10.717 -3.584 1.00 0.00 H new ATOM 0 H21 G B 106 -9.663 11.687 -0.405 1.00 0.00 H new ATOM 0 H22 G B 106 -8.418 10.885 -1.367 1.00 0.00 H new ATOM 1769 P U B 107 -17.682 15.058 -0.421 1.00 0.00 P ATOM 1770 OP1 U B 107 -17.561 15.784 0.864 1.00 0.00 O ATOM 1771 OP2 U B 107 -18.246 13.690 -0.435 1.00 0.00 O ATOM 1772 O5' U B 107 -18.531 15.964 -1.445 1.00 0.00 O ATOM 1773 C5' U B 107 -18.498 17.372 -1.360 1.00 0.00 C ATOM 1774 C4' U B 107 -18.480 17.983 -2.761 1.00 0.00 C ATOM 1775 O4' U B 107 -18.225 19.374 -2.639 1.00 0.00 O ATOM 1776 C3' U B 107 -17.318 17.460 -3.598 1.00 0.00 C ATOM 1777 O3' U B 107 -17.512 17.809 -4.954 1.00 0.00 O ATOM 1778 C2' U B 107 -16.187 18.219 -2.940 1.00 0.00 C ATOM 1779 O2' U B 107 -15.021 18.270 -3.723 1.00 0.00 O ATOM 1780 C1' U B 107 -16.834 19.581 -2.830 1.00 0.00 C ATOM 1781 N1 U B 107 -16.242 20.451 -1.785 1.00 0.00 N ATOM 1782 C2 U B 107 -16.667 21.772 -1.734 1.00 0.00 C ATOM 1783 O2 U B 107 -17.505 22.229 -2.509 1.00 0.00 O ATOM 1784 N3 U B 107 -16.095 22.566 -0.753 1.00 0.00 N ATOM 1785 C4 U B 107 -15.143 22.157 0.166 1.00 0.00 C ATOM 1786 O4 U B 107 -14.704 22.954 0.993 1.00 0.00 O ATOM 1787 C5 U B 107 -14.755 20.772 0.041 1.00 0.00 C ATOM 1788 C6 U B 107 -15.300 19.979 -0.909 1.00 0.00 C ATOM 0 H5' U B 107 -17.615 17.690 -0.805 1.00 0.00 H new ATOM 0 H5'' U B 107 -19.367 17.731 -0.809 1.00 0.00 H new ATOM 0 H4' U B 107 -19.435 17.739 -3.227 1.00 0.00 H new ATOM 0 H3' U B 107 -17.168 16.381 -3.622 1.00 0.00 H new ATOM 0 H2' U B 107 -15.836 17.777 -2.007 1.00 0.00 H new ATOM 0 HO2' U B 107 -14.378 17.607 -3.395 1.00 0.00 H new ATOM 0 HO3' U B 107 -18.065 18.616 -5.008 1.00 0.00 H new ATOM 0 H1' U B 107 -16.650 20.134 -3.751 1.00 0.00 H new ATOM 0 H3 U B 107 -16.402 23.537 -0.703 1.00 0.00 H new ATOM 0 H5 U B 107 -14.018 20.363 0.717 1.00 0.00 H new ATOM 0 H6 U B 107 -14.985 18.948 -0.979 1.00 0.00 H new TER 1800 U B 107