USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 180:sc= -0.288 USER MOD Set 1.2: A 100 HIS : no HD1:sc= 0.0794 K(o=-0.21,f=-3.5!) USER MOD Set 2.1: A 44 TYR OH : rot 25:sc= 1.37 USER MOD Set 2.2: B 105 A O2' : rot -51:sc= 1.21 USER MOD Set 3.1: A 37 TYR OH : rot 84:sc= 0.716 USER MOD Set 3.2: A 75 MET CE :methyl -133:sc= -1.4 (180deg=-7.3!) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 1 USER MOD Set 4.2: A 25 THR OG1 : rot 68:sc= 1.06 USER MOD Set 5.1: A 13 MET CE :methyl -173:sc= -0.377 (180deg=-0.44) USER MOD Set 5.2: A 63 HIS : +bothHN:sc= -2.98 K(o=-3.4,f=-8.7!) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00451) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 14 THR OG1 : rot 83:sc= 0.214 USER MOD Single : A 15 SER OG : rot -46:sc= 0.411 USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0.149 (180deg=-1.19) USER MOD Single : A 20 ASN : amide:sc= 0.556 K(o=0.56,f=-0.18) USER MOD Single : A 23 TYR OH : rot 30:sc= 0.122 USER MOD Single : A 26 SER OG : rot 180:sc= 0.582 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 120:sc= -0.164 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -54:sc= 0.219 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -153:sc= -0.0125 (180deg=-0.84) USER MOD Single : A 88 GLN : amide:sc= -1.41 K(o=-1.4,f=-7.1!) USER MOD Single : A 89 MET CE :methyl -168:sc= -0.506 (180deg=-0.543) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0.575 K(o=0.58,f=-2.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot -166:sc= 1.35 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 C O2' : rot 14:sc= 0.918 USER MOD Single : B 104 C O2' : rot 85:sc= 2.05 USER MOD Single : B 106 G O2' : rot 14:sc= 0.311 USER MOD Single : B 107 U O2' : rot 140:sc= 0.0839 USER MOD Single : B 107 U O3' : rot 35:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.626 20.804 1.337 1.00 0.00 N ATOM 2 CA MET A 1 -5.790 19.899 1.356 1.00 0.00 C ATOM 3 C MET A 1 -5.343 18.472 1.075 1.00 0.00 C ATOM 4 O MET A 1 -4.956 18.160 -0.052 1.00 0.00 O ATOM 5 CB MET A 1 -6.843 20.357 0.345 1.00 0.00 C ATOM 6 CG MET A 1 -8.105 19.498 0.434 1.00 0.00 C ATOM 7 SD MET A 1 -9.396 19.965 -0.750 1.00 0.00 S ATOM 8 CE MET A 1 -10.658 18.754 -0.272 1.00 0.00 C ATOM 0 H1 MET A 1 -4.939 21.777 1.530 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.945 20.509 2.065 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.172 20.766 0.402 1.00 0.00 H new ATOM 0 HA MET A 1 -6.245 19.928 2.346 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.097 21.401 0.528 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.432 20.301 -0.663 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.835 18.455 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.509 19.567 1.444 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.535 18.872 -0.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.258 17.747 -0.388 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.940 18.914 0.769 1.00 0.00 H new ATOM 18 N SER A 2 -5.394 17.606 2.091 1.00 0.00 N ATOM 19 CA SER A 2 -4.939 16.223 1.976 1.00 0.00 C ATOM 20 C SER A 2 -5.762 15.311 2.885 1.00 0.00 C ATOM 21 O SER A 2 -6.557 15.789 3.690 1.00 0.00 O ATOM 22 CB SER A 2 -3.465 16.140 2.378 1.00 0.00 C ATOM 23 OG SER A 2 -2.681 16.982 1.554 1.00 0.00 O ATOM 0 H SER A 2 -5.752 17.847 3.015 1.00 0.00 H new ATOM 0 HA SER A 2 -5.064 15.897 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.349 16.432 3.422 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.116 15.111 2.294 1.00 0.00 H new ATOM 0 HG SER A 2 -1.741 16.920 1.823 1.00 0.00 H new ATOM 29 N TYR A 3 -5.558 13.993 2.746 1.00 0.00 N ATOM 30 CA TYR A 3 -6.239 12.963 3.527 1.00 0.00 C ATOM 31 C TYR A 3 -7.747 13.196 3.598 1.00 0.00 C ATOM 32 O TYR A 3 -8.386 12.886 4.602 1.00 0.00 O ATOM 33 CB TYR A 3 -5.607 12.876 4.914 1.00 0.00 C ATOM 34 CG TYR A 3 -4.105 13.011 4.863 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.338 12.034 4.215 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.480 14.126 5.441 1.00 0.00 C ATOM 37 CE1 TYR A 3 -1.945 12.155 4.146 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.085 14.255 5.382 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.312 13.270 4.732 1.00 0.00 C ATOM 40 OH TYR A 3 0.041 13.393 4.669 1.00 0.00 O ATOM 0 H TYR A 3 -4.898 13.610 2.070 1.00 0.00 H new ATOM 0 HA TYR A 3 -6.111 12.005 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.020 13.660 5.550 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.869 11.923 5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.825 11.181 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.073 14.884 5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.358 11.398 3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.602 15.109 5.834 1.00 0.00 H new ATOM 0 HH TYR A 3 0.316 14.218 5.121 1.00 0.00 H new ATOM 50 N GLY A 4 -8.312 13.746 2.524 1.00 0.00 N ATOM 51 CA GLY A 4 -9.725 14.059 2.453 1.00 0.00 C ATOM 52 C GLY A 4 -10.590 12.803 2.495 1.00 0.00 C ATOM 53 O GLY A 4 -10.092 11.684 2.387 1.00 0.00 O ATOM 0 H GLY A 4 -7.794 13.985 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.994 14.713 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.929 14.609 1.535 1.00 0.00 H new ATOM 57 N ARG A 5 -11.899 13.014 2.654 1.00 0.00 N ATOM 58 CA ARG A 5 -12.881 11.949 2.781 1.00 0.00 C ATOM 59 C ARG A 5 -12.793 10.972 1.606 1.00 0.00 C ATOM 60 O ARG A 5 -12.440 11.362 0.494 1.00 0.00 O ATOM 61 CB ARG A 5 -14.276 12.578 2.894 1.00 0.00 C ATOM 62 CG ARG A 5 -14.678 13.283 1.593 1.00 0.00 C ATOM 63 CD ARG A 5 -15.982 14.059 1.761 1.00 0.00 C ATOM 64 NE ARG A 5 -17.091 13.182 2.157 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.682 13.189 3.357 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.303 14.035 4.311 1.00 0.00 N ATOM 67 NH2 ARG A 5 -18.668 12.332 3.610 1.00 0.00 N ATOM 0 H ARG A 5 -12.307 13.948 2.698 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.678 11.369 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.007 11.805 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.289 13.293 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.884 13.964 1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.791 12.546 0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.848 14.837 2.512 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.231 14.559 0.825 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.437 12.517 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.547 14.697 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -17.768 14.022 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.969 11.674 2.891 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.122 12.333 4.523 1.00 0.00 H new ATOM 81 N PRO A 6 -13.114 9.699 1.858 1.00 0.00 N ATOM 82 CA PRO A 6 -13.071 8.630 0.873 1.00 0.00 C ATOM 83 C PRO A 6 -14.195 8.785 -0.156 1.00 0.00 C ATOM 84 O PRO A 6 -15.202 9.436 0.120 1.00 0.00 O ATOM 85 CB PRO A 6 -13.228 7.346 1.686 1.00 0.00 C ATOM 86 CG PRO A 6 -14.014 7.790 2.921 1.00 0.00 C ATOM 87 CD PRO A 6 -13.529 9.217 3.155 1.00 0.00 C ATOM 0 HA PRO A 6 -12.145 8.634 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.764 6.580 1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.261 6.924 1.958 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.089 7.755 2.747 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.809 7.150 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.323 9.839 3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.703 9.239 3.865 1.00 0.00 H new ATOM 95 N PRO A 7 -14.024 8.184 -1.345 1.00 0.00 N ATOM 96 CA PRO A 7 -14.987 8.256 -2.428 1.00 0.00 C ATOM 97 C PRO A 7 -16.176 7.329 -2.176 1.00 0.00 C ATOM 98 O PRO A 7 -16.086 6.403 -1.374 1.00 0.00 O ATOM 99 CB PRO A 7 -14.204 7.803 -3.661 1.00 0.00 C ATOM 100 CG PRO A 7 -13.211 6.797 -3.083 1.00 0.00 C ATOM 101 CD PRO A 7 -12.866 7.404 -1.727 1.00 0.00 C ATOM 0 HA PRO A 7 -15.405 9.257 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -14.854 7.346 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.698 8.637 -4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.652 5.805 -2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.329 6.690 -3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.656 6.627 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.976 8.030 -1.792 1.00 0.00 H new ATOM 109 N PRO A 8 -17.297 7.573 -2.867 1.00 0.00 N ATOM 110 CA PRO A 8 -18.506 6.765 -2.801 1.00 0.00 C ATOM 111 C PRO A 8 -18.382 5.503 -3.664 1.00 0.00 C ATOM 112 O PRO A 8 -19.383 5.025 -4.199 1.00 0.00 O ATOM 113 CB PRO A 8 -19.602 7.698 -3.319 1.00 0.00 C ATOM 114 CG PRO A 8 -18.866 8.521 -4.377 1.00 0.00 C ATOM 115 CD PRO A 8 -17.480 8.698 -3.765 1.00 0.00 C ATOM 0 HA PRO A 8 -18.713 6.401 -1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.438 7.144 -3.746 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -20.008 8.327 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.822 8.002 -5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.354 9.479 -4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.711 8.711 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.408 9.643 -3.227 1.00 0.00 H new ATOM 123 N ASP A 9 -17.169 4.960 -3.809 1.00 0.00 N ATOM 124 CA ASP A 9 -16.900 3.875 -4.747 1.00 0.00 C ATOM 125 C ASP A 9 -16.090 2.751 -4.096 1.00 0.00 C ATOM 126 O ASP A 9 -15.452 1.960 -4.787 1.00 0.00 O ATOM 127 CB ASP A 9 -16.199 4.456 -5.978 1.00 0.00 C ATOM 128 CG ASP A 9 -16.104 3.446 -7.122 1.00 0.00 C ATOM 129 OD1 ASP A 9 -17.114 2.752 -7.372 1.00 0.00 O ATOM 130 OD2 ASP A 9 -15.018 3.377 -7.739 1.00 0.00 O ATOM 0 H ASP A 9 -16.351 5.262 -3.280 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.841 3.419 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.741 5.338 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.197 4.784 -5.702 1.00 0.00 H new ATOM 135 N VAL A 10 -16.117 2.674 -2.760 1.00 0.00 N ATOM 136 CA VAL A 10 -15.439 1.632 -1.987 1.00 0.00 C ATOM 137 C VAL A 10 -16.038 0.237 -2.206 1.00 0.00 C ATOM 138 O VAL A 10 -15.791 -0.670 -1.415 1.00 0.00 O ATOM 139 CB VAL A 10 -15.465 1.986 -0.494 1.00 0.00 C ATOM 140 CG1 VAL A 10 -14.743 3.308 -0.245 1.00 0.00 C ATOM 141 CG2 VAL A 10 -16.899 2.081 0.028 1.00 0.00 C ATOM 0 H VAL A 10 -16.619 3.345 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.410 1.593 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.952 1.188 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.771 3.543 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.706 3.223 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -15.235 4.103 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.884 2.333 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.436 2.854 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.401 1.123 -0.110 1.00 0.00 H new ATOM 151 N GLU A 11 -16.826 0.053 -3.272 1.00 0.00 N ATOM 152 CA GLU A 11 -17.485 -1.211 -3.586 1.00 0.00 C ATOM 153 C GLU A 11 -17.128 -1.653 -5.007 1.00 0.00 C ATOM 154 O GLU A 11 -17.718 -2.588 -5.548 1.00 0.00 O ATOM 155 CB GLU A 11 -18.996 -1.044 -3.425 1.00 0.00 C ATOM 156 CG GLU A 11 -19.342 -0.594 -2.007 1.00 0.00 C ATOM 157 CD GLU A 11 -20.856 -0.516 -1.806 1.00 0.00 C ATOM 158 OE1 GLU A 11 -21.422 0.567 -2.082 1.00 0.00 O ATOM 159 OE2 GLU A 11 -21.435 -1.541 -1.379 1.00 0.00 O ATOM 0 H GLU A 11 -17.024 0.791 -3.948 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.142 -1.986 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.365 -0.312 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.496 -1.987 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.912 -1.290 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.896 0.381 -1.813 1.00 0.00 H new ATOM 166 N GLY A 12 -16.156 -0.964 -5.602 1.00 0.00 N ATOM 167 CA GLY A 12 -15.651 -1.212 -6.944 1.00 0.00 C ATOM 168 C GLY A 12 -14.186 -0.789 -6.994 1.00 0.00 C ATOM 169 O GLY A 12 -13.746 -0.151 -7.952 1.00 0.00 O ATOM 0 H GLY A 12 -15.682 -0.187 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.750 -2.268 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.232 -0.653 -7.677 1.00 0.00 H new ATOM 173 N MET A 13 -13.443 -1.152 -5.945 1.00 0.00 N ATOM 174 CA MET A 13 -12.097 -0.658 -5.691 1.00 0.00 C ATOM 175 C MET A 13 -11.153 -1.818 -5.354 1.00 0.00 C ATOM 176 O MET A 13 -11.564 -2.794 -4.724 1.00 0.00 O ATOM 177 CB MET A 13 -12.228 0.320 -4.520 1.00 0.00 C ATOM 178 CG MET A 13 -10.919 0.972 -4.095 1.00 0.00 C ATOM 179 SD MET A 13 -11.088 1.995 -2.604 1.00 0.00 S ATOM 180 CE MET A 13 -12.136 3.314 -3.265 1.00 0.00 C ATOM 0 H MET A 13 -13.771 -1.810 -5.238 1.00 0.00 H new ATOM 0 HA MET A 13 -11.672 -0.165 -6.565 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.937 1.101 -4.793 1.00 0.00 H new ATOM 0 HB3 MET A 13 -12.650 -0.209 -3.666 1.00 0.00 H new ATOM 0 HG2 MET A 13 -10.175 0.196 -3.914 1.00 0.00 H new ATOM 0 HG3 MET A 13 -10.545 1.589 -4.912 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.242 4.102 -2.520 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.679 3.725 -4.165 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.119 2.910 -3.509 1.00 0.00 H new ATOM 190 N THR A 14 -9.882 -1.715 -5.773 1.00 0.00 N ATOM 191 CA THR A 14 -8.881 -2.756 -5.522 1.00 0.00 C ATOM 192 C THR A 14 -8.518 -2.799 -4.036 1.00 0.00 C ATOM 193 O THR A 14 -8.154 -3.849 -3.511 1.00 0.00 O ATOM 194 CB THR A 14 -7.638 -2.494 -6.382 1.00 0.00 C ATOM 195 OG1 THR A 14 -8.005 -2.491 -7.745 1.00 0.00 O ATOM 196 CG2 THR A 14 -6.586 -3.584 -6.185 1.00 0.00 C ATOM 0 H THR A 14 -9.524 -0.913 -6.291 1.00 0.00 H new ATOM 0 HA THR A 14 -9.296 -3.727 -5.794 1.00 0.00 H new ATOM 0 HB THR A 14 -7.222 -1.532 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.355 -1.609 -7.987 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.718 -3.369 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.283 -3.612 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.005 -4.550 -6.468 1.00 0.00 H new ATOM 203 N SER A 15 -8.628 -1.655 -3.362 1.00 0.00 N ATOM 204 CA SER A 15 -8.481 -1.503 -1.920 1.00 0.00 C ATOM 205 C SER A 15 -7.258 -2.208 -1.345 1.00 0.00 C ATOM 206 O SER A 15 -7.367 -2.949 -0.370 1.00 0.00 O ATOM 207 CB SER A 15 -9.760 -1.953 -1.215 1.00 0.00 C ATOM 208 OG SER A 15 -10.862 -1.221 -1.701 1.00 0.00 O ATOM 0 H SER A 15 -8.831 -0.771 -3.829 1.00 0.00 H new ATOM 0 HA SER A 15 -8.314 -0.442 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.920 -3.019 -1.379 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.662 -1.808 -0.139 1.00 0.00 H new ATOM 0 HG SER A 15 -10.633 -0.269 -1.734 1.00 0.00 H new ATOM 214 N LEU A 16 -6.077 -1.988 -1.932 1.00 0.00 N ATOM 215 CA LEU A 16 -4.854 -2.585 -1.409 1.00 0.00 C ATOM 216 C LEU A 16 -4.414 -1.857 -0.138 1.00 0.00 C ATOM 217 O LEU A 16 -3.753 -0.823 -0.235 1.00 0.00 O ATOM 218 CB LEU A 16 -3.748 -2.484 -2.456 1.00 0.00 C ATOM 219 CG LEU A 16 -2.498 -3.233 -1.988 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.627 -4.722 -2.292 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.279 -2.698 -2.723 1.00 0.00 C ATOM 0 H LEU A 16 -5.947 -1.407 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.045 -3.632 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.095 -2.899 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.505 -1.437 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.390 -3.086 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.731 -5.241 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.497 -5.125 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.745 -4.865 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.389 -3.232 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.408 -2.843 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.165 -1.635 -2.512 1.00 0.00 H new ATOM 233 N LYS A 17 -4.769 -2.380 1.039 1.00 0.00 N ATOM 234 CA LYS A 17 -4.381 -1.757 2.300 1.00 0.00 C ATOM 235 C LYS A 17 -2.879 -1.914 2.557 1.00 0.00 C ATOM 236 O LYS A 17 -2.256 -2.845 2.048 1.00 0.00 O ATOM 237 CB LYS A 17 -5.225 -2.289 3.461 1.00 0.00 C ATOM 238 CG LYS A 17 -4.929 -3.741 3.842 1.00 0.00 C ATOM 239 CD LYS A 17 -4.536 -3.859 5.319 1.00 0.00 C ATOM 240 CE LYS A 17 -5.675 -3.543 6.283 1.00 0.00 C ATOM 241 NZ LYS A 17 -5.220 -3.762 7.665 1.00 0.00 N ATOM 0 H LYS A 17 -5.323 -3.231 1.141 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.580 -0.688 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.061 -1.656 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.279 -2.203 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.807 -4.357 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.123 -4.126 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.179 -4.871 5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.704 -3.184 5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.999 -2.510 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.535 -4.176 6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.012 -4.114 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.451 -4.462 7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.875 -2.865 8.063 1.00 0.00 H new ATOM 255 N VAL A 18 -2.296 -1.009 3.350 1.00 0.00 N ATOM 256 CA VAL A 18 -0.874 -1.004 3.676 1.00 0.00 C ATOM 257 C VAL A 18 -0.693 -0.633 5.144 1.00 0.00 C ATOM 258 O VAL A 18 -1.339 0.309 5.610 1.00 0.00 O ATOM 259 CB VAL A 18 -0.174 0.049 2.814 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.288 0.198 3.209 1.00 0.00 C ATOM 261 CG2 VAL A 18 -0.251 -0.270 1.321 1.00 0.00 C ATOM 0 H VAL A 18 -2.813 -0.247 3.789 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.450 -1.991 3.489 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.704 0.984 2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.760 0.953 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.353 0.504 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.799 -0.755 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.261 0.509 0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.226 -1.231 1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.295 -0.315 1.012 1.00 0.00 H new ATOM 271 N ASP A 19 0.174 -1.370 5.855 1.00 0.00 N ATOM 272 CA ASP A 19 0.335 -1.275 7.304 1.00 0.00 C ATOM 273 C ASP A 19 1.711 -1.775 7.773 1.00 0.00 C ATOM 274 O ASP A 19 2.578 -2.106 6.965 1.00 0.00 O ATOM 275 CB ASP A 19 -0.771 -2.111 7.958 1.00 0.00 C ATOM 276 CG ASP A 19 -0.665 -3.596 7.608 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.061 -3.960 6.478 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.191 -4.353 8.484 1.00 0.00 O ATOM 0 H ASP A 19 0.791 -2.059 5.426 1.00 0.00 H new ATOM 0 HA ASP A 19 0.264 -0.227 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.721 -1.991 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.743 -1.734 7.640 1.00 0.00 H new ATOM 283 N ASN A 20 1.893 -1.818 9.102 1.00 0.00 N ATOM 284 CA ASN A 20 3.062 -2.340 9.807 1.00 0.00 C ATOM 285 C ASN A 20 4.301 -1.434 9.753 1.00 0.00 C ATOM 286 O ASN A 20 5.368 -1.837 10.212 1.00 0.00 O ATOM 287 CB ASN A 20 3.377 -3.773 9.362 1.00 0.00 C ATOM 288 CG ASN A 20 3.980 -4.583 10.503 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.258 -5.131 11.331 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.304 -4.667 10.563 1.00 0.00 N ATOM 0 H ASN A 20 1.184 -1.468 9.746 1.00 0.00 H new ATOM 0 HA ASN A 20 2.785 -2.356 10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.465 -4.257 9.011 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.070 -3.752 8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.748 -5.198 11.312 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.877 -4.200 9.860 1.00 0.00 H new ATOM 297 N LEU A 21 4.189 -0.221 9.209 1.00 0.00 N ATOM 298 CA LEU A 21 5.263 0.765 9.237 1.00 0.00 C ATOM 299 C LEU A 21 5.623 1.148 10.673 1.00 0.00 C ATOM 300 O LEU A 21 4.976 0.713 11.626 1.00 0.00 O ATOM 301 CB LEU A 21 4.833 2.020 8.472 1.00 0.00 C ATOM 302 CG LEU A 21 3.482 2.506 9.000 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.528 4.009 9.234 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.390 2.149 7.997 1.00 0.00 C ATOM 0 H LEU A 21 3.346 0.103 8.735 1.00 0.00 H new ATOM 0 HA LEU A 21 6.141 0.323 8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.583 2.803 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.761 1.802 7.406 1.00 0.00 H new ATOM 0 HG LEU A 21 3.261 2.019 9.950 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.563 4.348 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.303 4.240 9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.751 4.517 8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.426 2.494 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.602 2.629 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.360 1.068 7.861 1.00 0.00 H new ATOM 316 N THR A 22 6.667 1.972 10.828 1.00 0.00 N ATOM 317 CA THR A 22 7.129 2.384 12.149 1.00 0.00 C ATOM 318 C THR A 22 6.275 3.506 12.728 1.00 0.00 C ATOM 319 O THR A 22 5.491 4.135 12.021 1.00 0.00 O ATOM 320 CB THR A 22 8.584 2.858 12.095 1.00 0.00 C ATOM 321 OG1 THR A 22 8.645 4.115 11.458 1.00 0.00 O ATOM 322 CG2 THR A 22 9.495 1.891 11.346 1.00 0.00 C ATOM 0 H THR A 22 7.203 2.363 10.053 1.00 0.00 H new ATOM 0 HA THR A 22 7.045 1.508 12.793 1.00 0.00 H new ATOM 0 HB THR A 22 8.935 2.918 13.125 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.576 4.420 11.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.513 2.280 11.341 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.480 0.920 11.841 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.144 1.781 10.320 1.00 0.00 H new ATOM 329 N TYR A 23 6.434 3.761 14.028 1.00 0.00 N ATOM 330 CA TYR A 23 5.757 4.859 14.697 1.00 0.00 C ATOM 331 C TYR A 23 6.448 6.191 14.392 1.00 0.00 C ATOM 332 O TYR A 23 5.965 7.245 14.810 1.00 0.00 O ATOM 333 CB TYR A 23 5.744 4.588 16.199 1.00 0.00 C ATOM 334 CG TYR A 23 7.091 4.759 16.862 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.018 3.704 16.867 1.00 0.00 C ATOM 336 CD2 TYR A 23 7.411 5.977 17.472 1.00 0.00 C ATOM 337 CE1 TYR A 23 9.278 3.873 17.466 1.00 0.00 C ATOM 338 CE2 TYR A 23 8.660 6.151 18.078 1.00 0.00 C ATOM 339 CZ TYR A 23 9.604 5.102 18.076 1.00 0.00 C ATOM 340 OH TYR A 23 10.821 5.287 18.658 1.00 0.00 O ATOM 0 H TYR A 23 7.036 3.210 14.640 1.00 0.00 H new ATOM 0 HA TYR A 23 4.733 4.930 14.331 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.028 5.259 16.674 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.391 3.571 16.372 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.762 2.760 16.409 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.693 6.784 17.475 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.994 3.065 17.459 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.903 7.092 18.549 1.00 0.00 H new ATOM 0 HH TYR A 23 11.490 4.739 18.198 1.00 0.00 H new ATOM 350 N ARG A 24 7.574 6.152 13.667 1.00 0.00 N ATOM 351 CA ARG A 24 8.329 7.337 13.282 1.00 0.00 C ATOM 352 C ARG A 24 7.984 7.771 11.860 1.00 0.00 C ATOM 353 O ARG A 24 8.242 8.912 11.485 1.00 0.00 O ATOM 354 CB ARG A 24 9.827 7.029 13.367 1.00 0.00 C ATOM 355 CG ARG A 24 10.313 6.771 14.794 1.00 0.00 C ATOM 356 CD ARG A 24 10.227 8.050 15.626 1.00 0.00 C ATOM 357 NE ARG A 24 10.861 7.873 16.938 1.00 0.00 N ATOM 358 CZ ARG A 24 11.188 8.874 17.762 1.00 0.00 C ATOM 359 NH1 ARG A 24 10.949 10.141 17.424 1.00 0.00 N ATOM 360 NH2 ARG A 24 11.759 8.604 18.931 1.00 0.00 N ATOM 0 H ARG A 24 7.986 5.282 13.330 1.00 0.00 H new ATOM 0 HA ARG A 24 8.069 8.148 13.962 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.046 6.156 12.753 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.387 7.864 12.946 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.710 5.989 15.255 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.341 6.410 14.775 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.712 8.868 15.092 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.182 8.331 15.759 1.00 0.00 H new ATOM 0 HE ARG A 24 11.066 6.921 17.242 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.512 10.356 16.528 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.203 10.896 18.062 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.946 7.637 19.196 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.010 9.364 19.563 1.00 0.00 H new ATOM 374 N THR A 25 7.401 6.869 11.065 1.00 0.00 N ATOM 375 CA THR A 25 6.958 7.184 9.715 1.00 0.00 C ATOM 376 C THR A 25 5.729 8.097 9.792 1.00 0.00 C ATOM 377 O THR A 25 5.140 8.255 10.862 1.00 0.00 O ATOM 378 CB THR A 25 6.660 5.878 8.965 1.00 0.00 C ATOM 379 OG1 THR A 25 7.810 5.061 8.968 1.00 0.00 O ATOM 380 CG2 THR A 25 6.284 6.114 7.504 1.00 0.00 C ATOM 0 H THR A 25 7.226 5.904 11.344 1.00 0.00 H new ATOM 0 HA THR A 25 7.735 7.714 9.165 1.00 0.00 H new ATOM 0 HB THR A 25 5.820 5.409 9.478 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.987 4.749 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.084 5.158 7.021 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.393 6.740 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.107 6.613 6.993 1.00 0.00 H new ATOM 387 N SER A 26 5.332 8.699 8.669 1.00 0.00 N ATOM 388 CA SER A 26 4.210 9.628 8.622 1.00 0.00 C ATOM 389 C SER A 26 3.418 9.421 7.332 1.00 0.00 C ATOM 390 O SER A 26 3.936 8.834 6.382 1.00 0.00 O ATOM 391 CB SER A 26 4.762 11.054 8.710 1.00 0.00 C ATOM 392 OG SER A 26 5.373 11.253 9.971 1.00 0.00 O ATOM 0 H SER A 26 5.783 8.553 7.766 1.00 0.00 H new ATOM 0 HA SER A 26 3.532 9.453 9.458 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.487 11.223 7.913 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.957 11.775 8.567 1.00 0.00 H new ATOM 0 HG SER A 26 5.726 12.166 10.023 1.00 0.00 H new ATOM 398 N PRO A 27 2.162 9.888 7.272 1.00 0.00 N ATOM 399 CA PRO A 27 1.297 9.666 6.126 1.00 0.00 C ATOM 400 C PRO A 27 1.764 10.455 4.906 1.00 0.00 C ATOM 401 O PRO A 27 1.371 10.136 3.785 1.00 0.00 O ATOM 402 CB PRO A 27 -0.093 10.104 6.577 1.00 0.00 C ATOM 403 CG PRO A 27 0.190 11.145 7.656 1.00 0.00 C ATOM 404 CD PRO A 27 1.473 10.639 8.309 1.00 0.00 C ATOM 0 HA PRO A 27 1.308 8.621 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.667 10.527 5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.669 9.266 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.321 12.140 7.230 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.627 11.211 8.374 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.085 11.467 8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.253 10.009 9.171 1.00 0.00 H new ATOM 412 N ASP A 28 2.601 11.478 5.102 1.00 0.00 N ATOM 413 CA ASP A 28 3.175 12.214 3.985 1.00 0.00 C ATOM 414 C ASP A 28 4.315 11.398 3.384 1.00 0.00 C ATOM 415 O ASP A 28 4.578 11.461 2.183 1.00 0.00 O ATOM 416 CB ASP A 28 3.717 13.550 4.489 1.00 0.00 C ATOM 417 CG ASP A 28 4.257 14.395 3.337 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.429 14.846 2.514 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.494 14.583 3.291 1.00 0.00 O ATOM 0 H ASP A 28 2.892 11.810 6.022 1.00 0.00 H new ATOM 0 HA ASP A 28 2.412 12.393 3.227 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.926 14.095 5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.509 13.373 5.217 1.00 0.00 H new ATOM 424 N THR A 29 4.991 10.620 4.234 1.00 0.00 N ATOM 425 CA THR A 29 6.073 9.775 3.782 1.00 0.00 C ATOM 426 C THR A 29 5.486 8.661 2.941 1.00 0.00 C ATOM 427 O THR A 29 5.951 8.426 1.836 1.00 0.00 O ATOM 428 CB THR A 29 6.822 9.156 4.961 1.00 0.00 C ATOM 429 OG1 THR A 29 6.761 9.986 6.101 1.00 0.00 O ATOM 430 CG2 THR A 29 8.284 8.957 4.584 1.00 0.00 C ATOM 0 H THR A 29 4.800 10.566 5.235 1.00 0.00 H new ATOM 0 HA THR A 29 6.775 10.379 3.207 1.00 0.00 H new ATOM 0 HB THR A 29 6.350 8.202 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.247 9.564 6.840 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.820 8.515 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.350 8.293 3.722 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.730 9.920 4.335 1.00 0.00 H new ATOM 437 N LEU A 30 4.464 7.972 3.459 1.00 0.00 N ATOM 438 CA LEU A 30 3.873 6.857 2.741 1.00 0.00 C ATOM 439 C LEU A 30 3.264 7.332 1.429 1.00 0.00 C ATOM 440 O LEU A 30 3.255 6.589 0.453 1.00 0.00 O ATOM 441 CB LEU A 30 2.794 6.183 3.583 1.00 0.00 C ATOM 442 CG LEU A 30 3.312 5.693 4.932 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.116 5.203 5.742 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.324 4.561 4.752 1.00 0.00 C ATOM 0 H LEU A 30 4.038 8.170 4.364 1.00 0.00 H new ATOM 0 HA LEU A 30 4.664 6.136 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.977 6.885 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.383 5.339 3.029 1.00 0.00 H new ATOM 0 HG LEU A 30 3.820 6.507 5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.457 4.846 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.412 6.023 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.624 4.390 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.677 4.230 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.849 3.727 4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.168 4.918 4.162 1.00 0.00 H new ATOM 456 N ARG A 31 2.756 8.565 1.396 1.00 0.00 N ATOM 457 CA ARG A 31 2.158 9.107 0.188 1.00 0.00 C ATOM 458 C ARG A 31 3.202 9.125 -0.926 1.00 0.00 C ATOM 459 O ARG A 31 2.901 8.736 -2.047 1.00 0.00 O ATOM 460 CB ARG A 31 1.596 10.506 0.473 1.00 0.00 C ATOM 461 CG ARG A 31 1.252 11.270 -0.808 1.00 0.00 C ATOM 462 CD ARG A 31 0.223 10.523 -1.654 1.00 0.00 C ATOM 463 NE ARG A 31 0.137 11.097 -3.000 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.844 11.887 -3.445 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.866 12.228 -2.664 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.784 12.339 -4.691 1.00 0.00 N ATOM 0 H ARG A 31 2.749 9.201 2.193 1.00 0.00 H new ATOM 0 HA ARG A 31 1.328 8.481 -0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.702 10.416 1.090 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.325 11.077 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.864 12.256 -0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.159 11.427 -1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.496 9.470 -1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.753 10.569 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 31 0.889 10.875 -3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.911 11.885 -1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.604 12.832 -3.025 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.001 12.082 -5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.523 12.943 -5.050 1.00 0.00 H new ATOM 480 N ARG A 32 4.423 9.571 -0.628 1.00 0.00 N ATOM 481 CA ARG A 32 5.478 9.680 -1.635 1.00 0.00 C ATOM 482 C ARG A 32 6.176 8.343 -1.852 1.00 0.00 C ATOM 483 O ARG A 32 6.517 7.992 -2.980 1.00 0.00 O ATOM 484 CB ARG A 32 6.483 10.723 -1.148 1.00 0.00 C ATOM 485 CG ARG A 32 7.645 10.880 -2.125 1.00 0.00 C ATOM 486 CD ARG A 32 8.632 11.900 -1.558 1.00 0.00 C ATOM 487 NE ARG A 32 9.794 12.061 -2.440 1.00 0.00 N ATOM 488 CZ ARG A 32 10.811 12.893 -2.196 1.00 0.00 C ATOM 489 NH1 ARG A 32 10.827 13.647 -1.099 1.00 0.00 N ATOM 490 NH2 ARG A 32 11.820 12.973 -3.056 1.00 0.00 N ATOM 0 H ARG A 32 4.706 9.864 0.307 1.00 0.00 H new ATOM 0 HA ARG A 32 5.043 9.977 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.981 11.682 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.866 10.432 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.140 9.921 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.279 11.210 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.133 12.861 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.963 11.579 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 32 9.827 11.503 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.057 13.594 -0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.609 14.278 -0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.817 12.400 -3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.598 13.607 -2.872 1.00 0.00 H new ATOM 504 N VAL A 33 6.389 7.599 -0.766 1.00 0.00 N ATOM 505 CA VAL A 33 7.017 6.288 -0.782 1.00 0.00 C ATOM 506 C VAL A 33 6.236 5.323 -1.665 1.00 0.00 C ATOM 507 O VAL A 33 6.841 4.463 -2.300 1.00 0.00 O ATOM 508 CB VAL A 33 7.068 5.756 0.653 1.00 0.00 C ATOM 509 CG1 VAL A 33 7.320 4.255 0.726 1.00 0.00 C ATOM 510 CG2 VAL A 33 8.159 6.479 1.434 1.00 0.00 C ATOM 0 H VAL A 33 6.121 7.904 0.170 1.00 0.00 H new ATOM 0 HA VAL A 33 8.024 6.375 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 33 6.087 5.945 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.345 3.941 1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.521 3.726 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.275 4.023 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.191 6.096 2.454 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.123 6.311 0.953 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.945 7.548 1.454 1.00 0.00 H new ATOM 520 N PHE A 34 4.911 5.462 -1.707 1.00 0.00 N ATOM 521 CA PHE A 34 4.061 4.544 -2.445 1.00 0.00 C ATOM 522 C PHE A 34 3.562 5.153 -3.754 1.00 0.00 C ATOM 523 O PHE A 34 3.010 4.441 -4.590 1.00 0.00 O ATOM 524 CB PHE A 34 2.890 4.143 -1.555 1.00 0.00 C ATOM 525 CG PHE A 34 3.232 3.050 -0.561 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.878 3.363 0.644 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.908 1.713 -0.844 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.204 2.344 1.554 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.224 0.696 0.066 1.00 0.00 C ATOM 530 CZ PHE A 34 3.880 1.011 1.265 1.00 0.00 C ATOM 0 H PHE A 34 4.405 6.210 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 34 4.645 3.664 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.540 5.021 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.065 3.807 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.125 4.389 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.411 1.467 -1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.706 2.588 2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.963 -0.328 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.135 0.228 1.964 1.00 0.00 H new ATOM 540 N GLU A 35 3.750 6.460 -3.940 1.00 0.00 N ATOM 541 CA GLU A 35 3.318 7.124 -5.170 1.00 0.00 C ATOM 542 C GLU A 35 4.145 6.670 -6.377 1.00 0.00 C ATOM 543 O GLU A 35 3.697 6.799 -7.519 1.00 0.00 O ATOM 544 CB GLU A 35 3.378 8.646 -4.992 1.00 0.00 C ATOM 545 CG GLU A 35 3.039 9.404 -6.272 1.00 0.00 C ATOM 546 CD GLU A 35 2.786 10.878 -5.974 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.652 11.189 -5.541 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.721 11.684 -6.174 1.00 0.00 O ATOM 0 H GLU A 35 4.195 7.076 -3.260 1.00 0.00 H new ATOM 0 HA GLU A 35 2.285 6.838 -5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.685 8.943 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.377 8.930 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.857 9.307 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.157 8.965 -6.738 1.00 0.00 H new ATOM 555 N LYS A 36 5.349 6.136 -6.147 1.00 0.00 N ATOM 556 CA LYS A 36 6.219 5.692 -7.231 1.00 0.00 C ATOM 557 C LYS A 36 5.715 4.404 -7.884 1.00 0.00 C ATOM 558 O LYS A 36 6.102 4.079 -9.003 1.00 0.00 O ATOM 559 CB LYS A 36 7.632 5.512 -6.686 1.00 0.00 C ATOM 560 CG LYS A 36 7.737 4.309 -5.748 1.00 0.00 C ATOM 561 CD LYS A 36 9.148 4.158 -5.175 1.00 0.00 C ATOM 562 CE LYS A 36 9.523 5.366 -4.318 1.00 0.00 C ATOM 563 NZ LYS A 36 10.864 5.200 -3.728 1.00 0.00 N ATOM 0 H LYS A 36 5.741 6.002 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 36 6.218 6.453 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.327 5.386 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.932 6.414 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.023 4.421 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.465 3.402 -6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.205 3.250 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.865 4.048 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.499 6.270 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.787 5.496 -3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.095 6.034 -3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.877 4.350 -3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.567 5.099 -4.487 1.00 0.00 H new ATOM 577 N TYR A 37 4.849 3.678 -7.173 1.00 0.00 N ATOM 578 CA TYR A 37 4.270 2.430 -7.648 1.00 0.00 C ATOM 579 C TYR A 37 3.009 2.686 -8.469 1.00 0.00 C ATOM 580 O TYR A 37 2.521 1.787 -9.153 1.00 0.00 O ATOM 581 CB TYR A 37 3.914 1.561 -6.440 1.00 0.00 C ATOM 582 CG TYR A 37 5.112 1.169 -5.617 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.631 2.061 -4.673 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.701 -0.088 -5.805 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.754 1.709 -3.914 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.827 -0.446 -5.053 1.00 0.00 C ATOM 587 CZ TYR A 37 7.365 0.455 -4.112 1.00 0.00 C ATOM 588 OH TYR A 37 8.475 0.118 -3.398 1.00 0.00 O ATOM 0 H TYR A 37 4.530 3.947 -6.242 1.00 0.00 H new ATOM 0 HA TYR A 37 4.998 1.927 -8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.208 2.100 -5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.408 0.659 -6.786 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.164 3.024 -4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.289 -0.778 -6.526 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.150 2.396 -3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.284 -1.414 -5.194 1.00 0.00 H new ATOM 0 HH TYR A 37 8.207 -0.242 -2.527 1.00 0.00 H new ATOM 598 N GLY A 38 2.485 3.909 -8.397 1.00 0.00 N ATOM 599 CA GLY A 38 1.258 4.304 -9.049 1.00 0.00 C ATOM 600 C GLY A 38 0.514 5.247 -8.119 1.00 0.00 C ATOM 601 O GLY A 38 1.004 5.575 -7.039 1.00 0.00 O ATOM 0 H GLY A 38 2.921 4.664 -7.868 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.472 4.795 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.647 3.430 -9.273 1.00 0.00 H new ATOM 605 N ARG A 39 -0.673 5.685 -8.527 1.00 0.00 N ATOM 606 CA ARG A 39 -1.484 6.554 -7.691 1.00 0.00 C ATOM 607 C ARG A 39 -1.882 5.786 -6.441 1.00 0.00 C ATOM 608 O ARG A 39 -2.531 4.746 -6.522 1.00 0.00 O ATOM 609 CB ARG A 39 -2.692 7.098 -8.467 1.00 0.00 C ATOM 610 CG ARG A 39 -3.635 6.026 -9.010 1.00 0.00 C ATOM 611 CD ARG A 39 -4.679 6.715 -9.885 1.00 0.00 C ATOM 612 NE ARG A 39 -5.606 5.748 -10.483 1.00 0.00 N ATOM 613 CZ ARG A 39 -6.474 6.039 -11.453 1.00 0.00 C ATOM 614 NH1 ARG A 39 -6.566 7.279 -11.932 1.00 0.00 N ATOM 615 NH2 ARG A 39 -7.259 5.089 -11.954 1.00 0.00 N ATOM 0 H ARG A 39 -1.091 5.452 -9.428 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.910 7.430 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.257 7.763 -7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.330 7.701 -9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.080 5.288 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.117 5.492 -8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.239 7.434 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.179 7.277 -10.674 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.585 4.790 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.969 8.016 -11.557 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.233 7.491 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.198 4.136 -11.596 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.922 5.314 -12.696 1.00 0.00 H new ATOM 629 N VAL A 40 -1.488 6.310 -5.278 1.00 0.00 N ATOM 630 CA VAL A 40 -1.774 5.678 -3.996 1.00 0.00 C ATOM 631 C VAL A 40 -3.269 5.504 -3.769 1.00 0.00 C ATOM 632 O VAL A 40 -3.666 4.724 -2.908 1.00 0.00 O ATOM 633 CB VAL A 40 -1.161 6.464 -2.835 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.346 6.613 -3.039 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.800 7.847 -2.686 1.00 0.00 C ATOM 0 H VAL A 40 -0.964 7.182 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.317 4.689 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.355 5.903 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.772 7.174 -2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.806 5.626 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.536 7.146 -3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.338 8.373 -1.851 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.650 8.418 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.868 7.736 -2.498 1.00 0.00 H new ATOM 645 N GLY A 41 -4.088 6.229 -4.536 1.00 0.00 N ATOM 646 CA GLY A 41 -5.540 6.183 -4.477 1.00 0.00 C ATOM 647 C GLY A 41 -6.081 6.876 -3.229 1.00 0.00 C ATOM 648 O GLY A 41 -6.856 7.823 -3.339 1.00 0.00 O ATOM 0 H GLY A 41 -3.740 6.884 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.955 6.659 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.871 5.145 -4.488 1.00 0.00 H new ATOM 652 N ASP A 42 -5.670 6.401 -2.052 1.00 0.00 N ATOM 653 CA ASP A 42 -6.068 6.955 -0.775 1.00 0.00 C ATOM 654 C ASP A 42 -4.962 6.698 0.248 1.00 0.00 C ATOM 655 O ASP A 42 -4.132 5.805 0.068 1.00 0.00 O ATOM 656 CB ASP A 42 -7.384 6.294 -0.342 1.00 0.00 C ATOM 657 CG ASP A 42 -7.897 6.816 0.995 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.713 8.021 1.262 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.475 6.000 1.748 1.00 0.00 O ATOM 0 H ASP A 42 -5.039 5.604 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.223 8.031 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.140 6.466 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.238 5.216 -0.274 1.00 0.00 H new ATOM 664 N VAL A 43 -4.950 7.482 1.325 1.00 0.00 N ATOM 665 CA VAL A 43 -3.928 7.420 2.357 1.00 0.00 C ATOM 666 C VAL A 43 -4.567 7.833 3.676 1.00 0.00 C ATOM 667 O VAL A 43 -5.114 8.927 3.786 1.00 0.00 O ATOM 668 CB VAL A 43 -2.737 8.302 1.964 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.182 9.650 1.391 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.800 8.516 3.155 1.00 0.00 C ATOM 0 H VAL A 43 -5.664 8.188 1.504 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.535 6.410 2.471 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.196 7.773 1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.305 10.241 1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.789 9.484 0.501 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.769 10.186 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.963 9.145 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.345 9.003 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.424 7.553 3.500 1.00 0.00 H new ATOM 680 N TYR A 44 -4.496 6.952 4.676 1.00 0.00 N ATOM 681 CA TYR A 44 -5.158 7.190 5.950 1.00 0.00 C ATOM 682 C TYR A 44 -4.370 6.623 7.127 1.00 0.00 C ATOM 683 O TYR A 44 -3.444 5.839 6.937 1.00 0.00 O ATOM 684 CB TYR A 44 -6.565 6.599 5.904 1.00 0.00 C ATOM 685 CG TYR A 44 -7.436 7.148 7.008 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.567 8.537 7.154 1.00 0.00 C ATOM 687 CD2 TYR A 44 -8.100 6.284 7.887 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.358 9.062 8.181 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.913 6.804 8.902 1.00 0.00 C ATOM 690 CZ TYR A 44 -9.042 8.200 9.057 1.00 0.00 C ATOM 691 OH TYR A 44 -9.827 8.725 10.036 1.00 0.00 O ATOM 0 H TYR A 44 -3.986 6.070 4.624 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.216 8.267 6.107 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.020 6.818 4.938 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.507 5.514 5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.057 9.202 6.473 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.985 5.215 7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.444 10.132 8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.441 6.136 9.566 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.126 9.620 9.771 1.00 0.00 H new ATOM 701 N ILE A 45 -4.751 7.030 8.343 1.00 0.00 N ATOM 702 CA ILE A 45 -4.185 6.545 9.594 1.00 0.00 C ATOM 703 C ILE A 45 -5.317 6.471 10.627 1.00 0.00 C ATOM 704 O ILE A 45 -5.609 7.460 11.293 1.00 0.00 O ATOM 705 CB ILE A 45 -3.028 7.442 10.068 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.848 7.336 9.090 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.573 6.982 11.457 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.623 8.126 9.541 1.00 0.00 C ATOM 0 H ILE A 45 -5.483 7.726 8.481 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.757 5.553 9.454 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.368 8.477 10.109 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.574 6.288 8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.163 7.694 8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.753 7.614 11.799 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.406 7.058 12.156 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.236 5.947 11.405 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.175 8.010 8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.883 9.181 9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.285 7.752 10.507 1.00 0.00 H new ATOM 720 N PRO A 46 -5.956 5.297 10.755 1.00 0.00 N ATOM 721 CA PRO A 46 -7.027 5.010 11.708 1.00 0.00 C ATOM 722 C PRO A 46 -6.635 5.120 13.184 1.00 0.00 C ATOM 723 O PRO A 46 -7.360 4.606 14.033 1.00 0.00 O ATOM 724 CB PRO A 46 -7.448 3.568 11.413 1.00 0.00 C ATOM 725 CG PRO A 46 -6.940 3.293 10.001 1.00 0.00 C ATOM 726 CD PRO A 46 -5.684 4.141 9.920 1.00 0.00 C ATOM 0 HA PRO A 46 -7.814 5.753 11.576 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.012 2.874 12.132 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.530 3.452 11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.724 2.236 9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.671 3.581 9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.813 3.592 10.278 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.474 4.437 8.892 1.00 0.00 H new ATOM 734 N ARG A 47 -5.511 5.772 13.503 1.00 0.00 N ATOM 735 CA ARG A 47 -4.953 5.818 14.853 1.00 0.00 C ATOM 736 C ARG A 47 -6.016 6.002 15.936 1.00 0.00 C ATOM 737 O ARG A 47 -6.185 5.129 16.780 1.00 0.00 O ATOM 738 CB ARG A 47 -3.854 6.881 14.924 1.00 0.00 C ATOM 739 CG ARG A 47 -4.291 8.269 14.440 1.00 0.00 C ATOM 740 CD ARG A 47 -3.075 9.186 14.340 1.00 0.00 C ATOM 741 NE ARG A 47 -3.417 10.449 13.673 1.00 0.00 N ATOM 742 CZ ARG A 47 -2.594 11.497 13.570 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.374 11.458 14.093 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.993 12.594 12.935 1.00 0.00 N ATOM 0 H ARG A 47 -4.958 6.289 12.819 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.507 4.846 15.063 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.507 6.960 15.954 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.005 6.550 14.326 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.779 8.189 13.469 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.022 8.692 15.130 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.688 9.392 15.338 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.281 8.683 13.788 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.346 10.532 13.260 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.055 10.621 14.581 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.756 12.265 14.007 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.927 12.636 12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.366 13.394 12.856 1.00 0.00 H new ATOM 758 N ASP A 48 -6.731 7.128 15.907 1.00 0.00 N ATOM 759 CA ASP A 48 -7.828 7.425 16.820 1.00 0.00 C ATOM 760 C ASP A 48 -8.789 8.403 16.143 1.00 0.00 C ATOM 761 O ASP A 48 -8.566 8.803 15.001 1.00 0.00 O ATOM 762 CB ASP A 48 -7.288 8.089 18.091 1.00 0.00 C ATOM 763 CG ASP A 48 -6.130 7.329 18.728 1.00 0.00 C ATOM 764 OD1 ASP A 48 -6.412 6.438 19.561 1.00 0.00 O ATOM 765 OD2 ASP A 48 -4.980 7.659 18.373 1.00 0.00 O ATOM 0 H ASP A 48 -6.557 7.873 15.232 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.337 6.496 17.076 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.961 9.101 17.852 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.097 8.179 18.816 1.00 0.00 H new ATOM 770 N ARG A 49 -9.853 8.794 16.845 1.00 0.00 N ATOM 771 CA ARG A 49 -10.744 9.849 16.372 1.00 0.00 C ATOM 772 C ARG A 49 -11.069 10.833 17.499 1.00 0.00 C ATOM 773 O ARG A 49 -12.020 11.606 17.397 1.00 0.00 O ATOM 774 CB ARG A 49 -11.982 9.245 15.693 1.00 0.00 C ATOM 775 CG ARG A 49 -13.059 8.755 16.663 1.00 0.00 C ATOM 776 CD ARG A 49 -14.219 8.209 15.829 1.00 0.00 C ATOM 777 NE ARG A 49 -15.382 7.869 16.656 1.00 0.00 N ATOM 778 CZ ARG A 49 -16.336 8.734 17.008 1.00 0.00 C ATOM 779 NH1 ARG A 49 -16.250 10.021 16.684 1.00 0.00 N ATOM 780 NH2 ARG A 49 -17.392 8.308 17.688 1.00 0.00 N ATOM 0 H ARG A 49 -10.118 8.394 17.745 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.238 10.436 15.606 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.419 9.992 15.031 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.667 8.410 15.067 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.660 7.980 17.318 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.398 9.570 17.303 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.509 8.950 15.084 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.889 7.323 15.286 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.467 6.907 16.984 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.445 10.362 16.158 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.989 10.667 16.962 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.473 7.323 17.940 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.123 8.965 17.959 1.00 0.00 H new ATOM 794 N TYR A 50 -10.272 10.799 18.576 1.00 0.00 N ATOM 795 CA TYR A 50 -10.437 11.689 19.723 1.00 0.00 C ATOM 796 C TYR A 50 -9.099 12.231 20.233 1.00 0.00 C ATOM 797 O TYR A 50 -9.076 13.257 20.911 1.00 0.00 O ATOM 798 CB TYR A 50 -11.077 10.939 20.894 1.00 0.00 C ATOM 799 CG TYR A 50 -12.246 10.043 20.564 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.520 10.580 20.334 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.041 8.654 20.512 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.599 9.727 20.074 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.117 7.797 20.259 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.405 8.330 20.051 1.00 0.00 C ATOM 805 OH TYR A 50 -15.456 7.489 19.832 1.00 0.00 O ATOM 0 H TYR A 50 -9.492 10.148 18.672 1.00 0.00 H new ATOM 0 HA TYR A 50 -11.064 12.511 19.378 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.307 10.333 21.372 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.407 11.673 21.629 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.669 11.649 20.357 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.052 8.248 20.667 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.581 10.139 19.891 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.961 6.729 20.223 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.287 6.957 19.027 1.00 0.00 H new ATOM 815 N THR A 51 -7.990 11.553 19.920 1.00 0.00 N ATOM 816 CA THR A 51 -6.674 11.902 20.452 1.00 0.00 C ATOM 817 C THR A 51 -5.593 11.868 19.375 1.00 0.00 C ATOM 818 O THR A 51 -4.479 12.322 19.619 1.00 0.00 O ATOM 819 CB THR A 51 -6.318 10.914 21.564 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.205 9.619 21.019 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.391 10.882 22.648 1.00 0.00 C ATOM 0 H THR A 51 -7.982 10.749 19.292 1.00 0.00 H new ATOM 0 HA THR A 51 -6.720 12.921 20.837 1.00 0.00 H new ATOM 0 HB THR A 51 -5.376 11.237 22.008 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.975 8.984 21.729 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.105 10.170 23.422 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.493 11.874 23.088 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.342 10.580 22.210 1.00 0.00 H new ATOM 828 N LYS A 52 -5.924 11.337 18.192 1.00 0.00 N ATOM 829 CA LYS A 52 -5.058 11.241 17.024 1.00 0.00 C ATOM 830 C LYS A 52 -3.580 11.061 17.380 1.00 0.00 C ATOM 831 O LYS A 52 -2.761 11.910 17.028 1.00 0.00 O ATOM 832 CB LYS A 52 -5.285 12.465 16.132 1.00 0.00 C ATOM 833 CG LYS A 52 -6.739 12.527 15.656 1.00 0.00 C ATOM 834 CD LYS A 52 -6.937 13.744 14.753 1.00 0.00 C ATOM 835 CE LYS A 52 -8.389 13.806 14.276 1.00 0.00 C ATOM 836 NZ LYS A 52 -8.609 14.969 13.395 1.00 0.00 N ATOM 0 H LYS A 52 -6.850 10.945 18.021 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.328 10.337 16.478 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.039 13.373 16.683 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.617 12.423 15.272 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.993 11.616 15.114 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.410 12.586 16.513 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.684 14.655 15.295 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.266 13.685 13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.639 12.889 13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.056 13.866 15.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.602 14.987 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.392 15.844 13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.989 14.897 12.563 1.00 0.00 H new ATOM 850 N GLU A 53 -3.228 9.972 18.068 1.00 0.00 N ATOM 851 CA GLU A 53 -1.846 9.781 18.506 1.00 0.00 C ATOM 852 C GLU A 53 -1.347 8.338 18.397 1.00 0.00 C ATOM 853 O GLU A 53 -0.158 8.097 18.587 1.00 0.00 O ATOM 854 CB GLU A 53 -1.680 10.299 19.935 1.00 0.00 C ATOM 855 CG GLU A 53 -2.515 9.497 20.934 1.00 0.00 C ATOM 856 CD GLU A 53 -2.260 9.973 22.366 1.00 0.00 C ATOM 857 OE1 GLU A 53 -2.790 11.049 22.727 1.00 0.00 O ATOM 858 OE2 GLU A 53 -1.532 9.256 23.088 1.00 0.00 O ATOM 0 H GLU A 53 -3.868 9.222 18.329 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.225 10.357 17.820 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.629 10.250 20.219 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.973 11.348 19.977 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.573 9.601 20.695 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.272 8.438 20.850 1.00 0.00 H new ATOM 865 N SER A 54 -2.224 7.375 18.095 1.00 0.00 N ATOM 866 CA SER A 54 -1.845 5.975 17.912 1.00 0.00 C ATOM 867 C SER A 54 -1.218 5.750 16.531 1.00 0.00 C ATOM 868 O SER A 54 -1.478 4.743 15.873 1.00 0.00 O ATOM 869 CB SER A 54 -3.079 5.091 18.124 1.00 0.00 C ATOM 870 OG SER A 54 -2.686 3.736 18.232 1.00 0.00 O ATOM 0 H SER A 54 -3.221 7.548 17.971 1.00 0.00 H new ATOM 0 HA SER A 54 -1.088 5.705 18.648 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.607 5.399 19.026 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.772 5.213 17.292 1.00 0.00 H new ATOM 0 HG SER A 54 -2.149 3.488 17.451 1.00 0.00 H new ATOM 876 N ARG A 55 -0.394 6.705 16.088 1.00 0.00 N ATOM 877 CA ARG A 55 0.215 6.752 14.761 1.00 0.00 C ATOM 878 C ARG A 55 1.208 5.616 14.481 1.00 0.00 C ATOM 879 O ARG A 55 1.992 5.699 13.536 1.00 0.00 O ATOM 880 CB ARG A 55 0.876 8.122 14.578 1.00 0.00 C ATOM 881 CG ARG A 55 2.154 8.244 15.419 1.00 0.00 C ATOM 882 CD ARG A 55 2.622 9.701 15.515 1.00 0.00 C ATOM 883 NE ARG A 55 2.651 10.366 14.209 1.00 0.00 N ATOM 884 CZ ARG A 55 3.540 10.114 13.242 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.489 9.199 13.397 1.00 0.00 N ATOM 886 NH2 ARG A 55 3.478 10.792 12.099 1.00 0.00 N ATOM 0 H ARG A 55 -0.124 7.498 16.671 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.581 6.605 14.031 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.115 8.275 13.526 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.175 8.907 14.863 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.972 7.852 16.420 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.942 7.635 14.976 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.959 10.249 16.184 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.618 9.732 15.957 1.00 0.00 H new ATOM 0 HE ARG A 55 1.940 11.074 14.024 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.551 8.671 14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.156 9.024 12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.755 11.499 11.964 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.153 10.605 11.358 1.00 0.00 H new ATOM 900 N GLY A 56 1.193 4.554 15.291 1.00 0.00 N ATOM 901 CA GLY A 56 2.096 3.415 15.138 1.00 0.00 C ATOM 902 C GLY A 56 1.853 2.620 13.851 1.00 0.00 C ATOM 903 O GLY A 56 2.591 1.672 13.577 1.00 0.00 O ATOM 0 H GLY A 56 0.549 4.462 16.076 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.126 3.772 15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.981 2.751 15.995 1.00 0.00 H new ATOM 907 N PHE A 57 0.837 2.989 13.063 1.00 0.00 N ATOM 908 CA PHE A 57 0.494 2.307 11.826 1.00 0.00 C ATOM 909 C PHE A 57 -0.227 3.265 10.883 1.00 0.00 C ATOM 910 O PHE A 57 -0.380 4.444 11.184 1.00 0.00 O ATOM 911 CB PHE A 57 -0.381 1.095 12.140 1.00 0.00 C ATOM 912 CG PHE A 57 -1.766 1.483 12.596 1.00 0.00 C ATOM 913 CD1 PHE A 57 -1.977 1.928 13.907 1.00 0.00 C ATOM 914 CD2 PHE A 57 -2.835 1.409 11.697 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.260 2.316 14.309 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.116 1.794 12.102 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.332 2.249 13.410 1.00 0.00 C ATOM 0 H PHE A 57 0.228 3.779 13.275 1.00 0.00 H new ATOM 0 HA PHE A 57 1.404 1.965 11.333 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.457 0.467 11.253 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.098 0.496 12.914 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.154 1.972 14.604 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.671 1.054 10.690 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.424 2.669 15.317 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.940 1.741 11.406 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.322 2.547 13.724 1.00 0.00 H new ATOM 927 N ALA A 58 -0.667 2.744 9.735 1.00 0.00 N ATOM 928 CA ALA A 58 -1.398 3.507 8.742 1.00 0.00 C ATOM 929 C ALA A 58 -2.278 2.576 7.910 1.00 0.00 C ATOM 930 O ALA A 58 -2.342 1.371 8.158 1.00 0.00 O ATOM 931 CB ALA A 58 -0.418 4.248 7.828 1.00 0.00 C ATOM 0 H ALA A 58 -0.520 1.769 9.474 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.031 4.234 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.974 4.819 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.193 4.926 8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.226 3.527 7.324 1.00 0.00 H new ATOM 937 N PHE A 59 -2.952 3.155 6.919 1.00 0.00 N ATOM 938 CA PHE A 59 -3.824 2.448 6.008 1.00 0.00 C ATOM 939 C PHE A 59 -3.782 3.133 4.647 1.00 0.00 C ATOM 940 O PHE A 59 -4.714 3.848 4.278 1.00 0.00 O ATOM 941 CB PHE A 59 -5.239 2.422 6.598 1.00 0.00 C ATOM 942 CG PHE A 59 -6.208 1.448 5.962 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.126 1.098 4.603 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.213 0.885 6.759 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.035 0.184 4.055 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.123 -0.028 6.209 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.027 -0.390 4.860 1.00 0.00 C ATOM 0 H PHE A 59 -2.900 4.156 6.729 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.497 1.417 5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.164 2.187 7.660 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.661 3.424 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.360 1.535 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.287 1.156 7.802 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.971 -0.079 3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.900 -0.453 6.827 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.715 -1.109 4.442 1.00 0.00 H new ATOM 957 N VAL A 60 -2.701 2.932 3.885 1.00 0.00 N ATOM 958 CA VAL A 60 -2.690 3.427 2.508 1.00 0.00 C ATOM 959 C VAL A 60 -3.555 2.468 1.693 1.00 0.00 C ATOM 960 O VAL A 60 -3.603 1.286 2.022 1.00 0.00 O ATOM 961 CB VAL A 60 -1.267 3.535 1.947 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.272 4.280 0.612 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.364 4.310 2.908 1.00 0.00 C ATOM 0 H VAL A 60 -1.854 2.449 4.184 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.090 4.440 2.461 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.892 2.520 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.254 4.347 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.894 3.741 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.672 5.284 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.641 4.375 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.763 5.314 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.326 3.794 3.867 1.00 0.00 H new ATOM 973 N ARG A 61 -4.237 2.948 0.647 1.00 0.00 N ATOM 974 CA ARG A 61 -5.220 2.122 -0.051 1.00 0.00 C ATOM 975 C ARG A 61 -5.317 2.466 -1.532 1.00 0.00 C ATOM 976 O ARG A 61 -5.879 3.498 -1.893 1.00 0.00 O ATOM 977 CB ARG A 61 -6.571 2.300 0.647 1.00 0.00 C ATOM 978 CG ARG A 61 -7.671 1.573 -0.123 1.00 0.00 C ATOM 979 CD ARG A 61 -8.983 1.570 0.664 1.00 0.00 C ATOM 980 NE ARG A 61 -9.349 2.915 1.118 1.00 0.00 N ATOM 981 CZ ARG A 61 -10.564 3.253 1.555 1.00 0.00 C ATOM 982 NH1 ARG A 61 -11.566 2.378 1.535 1.00 0.00 N ATOM 983 NH2 ARG A 61 -10.774 4.478 2.019 1.00 0.00 N ATOM 0 H ARG A 61 -4.127 3.890 0.272 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.906 1.079 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.515 1.913 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.811 3.361 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.823 2.055 -1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.362 0.547 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.781 1.168 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.889 0.909 1.525 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.630 3.638 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.411 1.434 1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.489 2.652 1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.010 5.153 2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.700 4.744 2.355 1.00 0.00 H new ATOM 997 N PHE A 62 -4.770 1.594 -2.388 1.00 0.00 N ATOM 998 CA PHE A 62 -4.791 1.790 -3.835 1.00 0.00 C ATOM 999 C PHE A 62 -6.150 1.393 -4.408 1.00 0.00 C ATOM 1000 O PHE A 62 -6.932 0.715 -3.737 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.705 0.945 -4.503 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.283 1.364 -4.204 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.685 1.030 -2.977 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.549 2.081 -5.161 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.353 1.384 -2.717 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.214 2.423 -4.908 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.384 2.068 -3.691 1.00 0.00 C ATOM 0 H PHE A 62 -4.303 0.736 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.607 2.846 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.833 -0.092 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.856 0.976 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.255 0.497 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.013 2.369 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.102 1.130 -1.771 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.355 2.961 -5.652 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.417 2.323 -3.504 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.424 1.815 -5.647 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.708 1.590 -6.300 1.00 0.00 C ATOM 1019 C HIS A 63 -7.567 0.839 -7.622 1.00 0.00 C ATOM 1020 O HIS A 63 -8.579 0.483 -8.223 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.368 2.932 -6.615 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.507 3.862 -5.447 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -8.878 3.509 -4.149 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.292 5.206 -5.506 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -8.900 4.660 -3.459 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.561 5.694 -4.246 1.00 0.00 N ATOM 0 H HIS A 63 -5.755 2.324 -6.224 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.306 0.993 -5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.787 3.432 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.358 2.744 -7.030 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.088 2.574 -3.799 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.974 5.775 -6.367 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.156 4.743 -2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -8.511 6.672 -3.960 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.338 0.596 -8.080 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.109 -0.012 -9.386 1.00 0.00 C ATOM 1036 C ASP A 64 -5.284 -1.284 -9.263 1.00 0.00 C ATOM 1037 O ASP A 64 -4.377 -1.370 -8.435 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.397 0.992 -10.294 1.00 0.00 C ATOM 1039 CG ASP A 64 -6.216 2.264 -10.467 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -6.071 3.170 -9.615 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.987 2.327 -11.448 1.00 0.00 O ATOM 0 H ASP A 64 -5.486 0.812 -7.563 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.073 -0.280 -9.819 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.423 1.239 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.216 0.539 -11.269 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.605 -2.275 -10.099 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.995 -3.595 -10.049 1.00 0.00 C ATOM 1048 C LYS A 65 -3.489 -3.552 -10.262 1.00 0.00 C ATOM 1049 O LYS A 65 -2.748 -4.157 -9.495 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.632 -4.473 -11.132 1.00 0.00 C ATOM 1051 CG LYS A 65 -7.083 -4.835 -10.805 1.00 0.00 C ATOM 1052 CD LYS A 65 -7.192 -5.677 -9.532 1.00 0.00 C ATOM 1053 CE LYS A 65 -6.262 -6.892 -9.605 1.00 0.00 C ATOM 1054 NZ LYS A 65 -6.424 -7.758 -8.421 1.00 0.00 N ATOM 0 H LYS A 65 -6.304 -2.177 -10.835 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.170 -4.005 -9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.596 -3.951 -12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.048 -5.387 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.666 -3.922 -10.686 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.517 -5.384 -11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.936 -5.069 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.221 -6.008 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.475 -7.463 -10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.227 -6.558 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.782 -8.573 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.197 -7.217 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.407 -8.095 -8.369 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.025 -2.846 -11.294 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.614 -2.884 -11.657 1.00 0.00 C ATOM 1070 C ARG A 66 -0.755 -2.095 -10.673 1.00 0.00 C ATOM 1071 O ARG A 66 0.370 -2.499 -10.382 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.457 -2.381 -13.089 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.826 -0.902 -13.217 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.755 -0.456 -14.679 1.00 0.00 C ATOM 1075 NE ARG A 66 -0.392 -0.578 -15.208 1.00 0.00 N ATOM 1076 CZ ARG A 66 -0.021 -0.174 -16.426 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -0.904 0.377 -17.257 1.00 0.00 N ATOM 1078 NH2 ARG A 66 1.241 -0.326 -16.816 1.00 0.00 N ATOM 0 H ARG A 66 -3.601 -2.248 -11.886 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.258 -3.913 -11.604 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.427 -2.528 -13.415 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.088 -2.972 -13.753 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.831 -0.737 -12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.148 -0.299 -12.613 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.436 -1.060 -15.279 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.089 0.578 -14.763 1.00 0.00 H new ATOM 0 HE ARG A 66 0.317 -0.998 -14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.874 0.494 -16.966 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.610 0.682 -18.185 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.922 -0.750 -16.186 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.528 -0.019 -17.745 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.276 -0.979 -10.156 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.557 -0.185 -9.171 1.00 0.00 C ATOM 1094 C ASP A 67 -0.508 -0.943 -7.849 1.00 0.00 C ATOM 1095 O ASP A 67 0.443 -0.797 -7.083 1.00 0.00 O ATOM 1096 CB ASP A 67 -1.260 1.161 -8.978 1.00 0.00 C ATOM 1097 CG ASP A 67 -1.293 1.983 -10.273 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -0.361 1.823 -11.093 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -2.258 2.765 -10.432 1.00 0.00 O ATOM 0 H ASP A 67 -2.193 -0.610 -10.407 1.00 0.00 H new ATOM 0 HA ASP A 67 0.460 -0.005 -9.520 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.279 0.991 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.749 1.729 -8.201 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.536 -1.755 -7.583 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.632 -2.496 -6.342 1.00 0.00 C ATOM 1106 C ALA A 68 -0.814 -3.784 -6.377 1.00 0.00 C ATOM 1107 O ALA A 68 -0.187 -4.146 -5.378 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.105 -2.835 -6.092 1.00 0.00 C ATOM 0 H ALA A 68 -2.315 -1.910 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.230 -1.876 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.197 -3.394 -5.161 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.683 -1.914 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.484 -3.439 -6.916 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.801 -4.491 -7.510 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.072 -5.748 -7.585 1.00 0.00 C ATOM 1116 C GLU A 69 1.433 -5.518 -7.522 1.00 0.00 C ATOM 1117 O GLU A 69 2.155 -6.374 -7.026 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.433 -6.503 -8.860 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.824 -7.133 -8.735 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.211 -7.870 -10.015 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.551 -8.893 -10.316 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -3.161 -7.410 -10.686 1.00 0.00 O ATOM 0 H GLU A 69 -1.278 -4.217 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.362 -6.350 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.411 -5.823 -9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.308 -7.279 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.838 -7.826 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.560 -6.358 -8.521 1.00 0.00 H new ATOM 1129 N ASP A 70 1.926 -4.377 -8.011 1.00 0.00 N ATOM 1130 CA ASP A 70 3.342 -4.072 -7.881 1.00 0.00 C ATOM 1131 C ASP A 70 3.660 -3.628 -6.452 1.00 0.00 C ATOM 1132 O ASP A 70 4.708 -3.979 -5.907 1.00 0.00 O ATOM 1133 CB ASP A 70 3.726 -2.950 -8.846 1.00 0.00 C ATOM 1134 CG ASP A 70 3.760 -3.411 -10.302 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.962 -4.624 -10.531 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.586 -2.542 -11.184 1.00 0.00 O ATOM 0 H ASP A 70 1.374 -3.666 -8.490 1.00 0.00 H new ATOM 0 HA ASP A 70 3.910 -4.972 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.015 -2.130 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.705 -2.558 -8.570 1.00 0.00 H new ATOM 1141 N ALA A 71 2.755 -2.853 -5.844 1.00 0.00 N ATOM 1142 CA ALA A 71 2.976 -2.316 -4.514 1.00 0.00 C ATOM 1143 C ALA A 71 3.135 -3.426 -3.481 1.00 0.00 C ATOM 1144 O ALA A 71 3.853 -3.237 -2.504 1.00 0.00 O ATOM 1145 CB ALA A 71 1.815 -1.396 -4.145 1.00 0.00 C ATOM 0 H ALA A 71 1.863 -2.588 -6.261 1.00 0.00 H new ATOM 0 HA ALA A 71 3.905 -1.747 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.976 -0.990 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.756 -0.579 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.883 -1.962 -4.161 1.00 0.00 H new ATOM 1151 N MET A 72 2.483 -4.577 -3.671 1.00 0.00 N ATOM 1152 CA MET A 72 2.631 -5.671 -2.723 1.00 0.00 C ATOM 1153 C MET A 72 3.771 -6.601 -3.134 1.00 0.00 C ATOM 1154 O MET A 72 4.364 -7.264 -2.287 1.00 0.00 O ATOM 1155 CB MET A 72 1.314 -6.441 -2.594 1.00 0.00 C ATOM 1156 CG MET A 72 1.117 -7.310 -3.825 1.00 0.00 C ATOM 1157 SD MET A 72 -0.534 -8.029 -4.015 1.00 0.00 S ATOM 1158 CE MET A 72 -0.221 -8.966 -5.534 1.00 0.00 C ATOM 0 H MET A 72 1.862 -4.768 -4.457 1.00 0.00 H new ATOM 0 HA MET A 72 2.882 -5.252 -1.749 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.328 -7.060 -1.697 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.482 -5.745 -2.489 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.338 -6.712 -4.709 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.846 -8.120 -3.797 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.154 -9.088 -6.085 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.498 -8.428 -6.152 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.181 -9.947 -5.280 1.00 0.00 H new ATOM 1168 N ASP A 73 4.080 -6.656 -4.433 1.00 0.00 N ATOM 1169 CA ASP A 73 5.158 -7.488 -4.935 1.00 0.00 C ATOM 1170 C ASP A 73 6.522 -6.909 -4.555 1.00 0.00 C ATOM 1171 O ASP A 73 7.541 -7.571 -4.745 1.00 0.00 O ATOM 1172 CB ASP A 73 5.028 -7.617 -6.454 1.00 0.00 C ATOM 1173 CG ASP A 73 6.081 -8.549 -7.040 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.031 -9.759 -6.723 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.934 -8.046 -7.805 1.00 0.00 O ATOM 0 H ASP A 73 3.590 -6.127 -5.154 1.00 0.00 H new ATOM 0 HA ASP A 73 5.085 -8.476 -4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.035 -7.991 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.121 -6.632 -6.911 1.00 0.00 H new ATOM 1180 N ALA A 74 6.549 -5.684 -4.022 1.00 0.00 N ATOM 1181 CA ALA A 74 7.799 -5.027 -3.662 1.00 0.00 C ATOM 1182 C ALA A 74 7.795 -4.409 -2.258 1.00 0.00 C ATOM 1183 O ALA A 74 8.853 -3.994 -1.789 1.00 0.00 O ATOM 1184 CB ALA A 74 8.068 -3.964 -4.715 1.00 0.00 C ATOM 0 H ALA A 74 5.714 -5.130 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 74 8.588 -5.779 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.999 -3.447 -4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.151 -4.435 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.247 -3.247 -4.726 1.00 0.00 H new ATOM 1190 N MET A 75 6.643 -4.339 -1.581 1.00 0.00 N ATOM 1191 CA MET A 75 6.609 -3.862 -0.198 1.00 0.00 C ATOM 1192 C MET A 75 6.174 -4.940 0.792 1.00 0.00 C ATOM 1193 O MET A 75 6.489 -4.819 1.974 1.00 0.00 O ATOM 1194 CB MET A 75 5.655 -2.676 -0.051 1.00 0.00 C ATOM 1195 CG MET A 75 6.033 -1.463 -0.897 1.00 0.00 C ATOM 1196 SD MET A 75 7.493 -0.564 -0.316 1.00 0.00 S ATOM 1197 CE MET A 75 6.918 1.113 -0.692 1.00 0.00 C ATOM 0 H MET A 75 5.735 -4.603 -1.963 1.00 0.00 H new ATOM 0 HA MET A 75 7.632 -3.566 0.034 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.649 -2.996 -0.324 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.621 -2.378 0.997 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.209 -1.792 -1.921 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.187 -0.777 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.707 1.662 -1.206 1.00 0.00 H new ATOM 0 HE2 MET A 75 6.037 1.061 -1.331 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.664 1.627 0.235 1.00 0.00 H new ATOM 1207 N ASP A 76 5.459 -5.988 0.364 1.00 0.00 N ATOM 1208 CA ASP A 76 5.058 -7.026 1.304 1.00 0.00 C ATOM 1209 C ASP A 76 6.291 -7.725 1.877 1.00 0.00 C ATOM 1210 O ASP A 76 7.133 -8.225 1.132 1.00 0.00 O ATOM 1211 CB ASP A 76 4.133 -8.039 0.632 1.00 0.00 C ATOM 1212 CG ASP A 76 3.607 -9.048 1.650 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.172 -8.602 2.733 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.645 -10.258 1.333 1.00 0.00 O ATOM 0 H ASP A 76 5.156 -6.133 -0.599 1.00 0.00 H new ATOM 0 HA ASP A 76 4.510 -6.557 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.298 -7.520 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.671 -8.560 -0.160 1.00 0.00 H new ATOM 1219 N GLY A 77 6.389 -7.756 3.207 1.00 0.00 N ATOM 1220 CA GLY A 77 7.487 -8.411 3.904 1.00 0.00 C ATOM 1221 C GLY A 77 8.787 -7.609 3.847 1.00 0.00 C ATOM 1222 O GLY A 77 9.815 -8.082 4.330 1.00 0.00 O ATOM 0 H GLY A 77 5.705 -7.325 3.829 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.208 -8.568 4.946 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.653 -9.395 3.467 1.00 0.00 H new ATOM 1226 N ALA A 78 8.755 -6.405 3.263 1.00 0.00 N ATOM 1227 CA ALA A 78 9.920 -5.538 3.162 1.00 0.00 C ATOM 1228 C ALA A 78 10.328 -5.004 4.536 1.00 0.00 C ATOM 1229 O ALA A 78 9.727 -5.339 5.556 1.00 0.00 O ATOM 1230 CB ALA A 78 9.596 -4.387 2.205 1.00 0.00 C ATOM 0 H ALA A 78 7.912 -6.009 2.847 1.00 0.00 H new ATOM 0 HA ALA A 78 10.763 -6.110 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.461 -3.730 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.349 -4.789 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.747 -3.822 2.590 1.00 0.00 H new ATOM 1236 N VAL A 79 11.369 -4.164 4.557 1.00 0.00 N ATOM 1237 CA VAL A 79 11.918 -3.595 5.784 1.00 0.00 C ATOM 1238 C VAL A 79 12.323 -2.144 5.525 1.00 0.00 C ATOM 1239 O VAL A 79 12.703 -1.808 4.401 1.00 0.00 O ATOM 1240 CB VAL A 79 13.146 -4.414 6.218 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.724 -3.881 7.529 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.783 -5.890 6.396 1.00 0.00 C ATOM 0 H VAL A 79 11.855 -3.860 3.713 1.00 0.00 H new ATOM 0 HA VAL A 79 11.170 -3.625 6.576 1.00 0.00 H new ATOM 0 HB VAL A 79 13.894 -4.319 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.591 -4.477 7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.026 -2.842 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.968 -3.943 8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.668 -6.448 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.011 -5.985 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.411 -6.290 5.452 1.00 0.00 H new ATOM 1252 N LEU A 80 12.251 -1.289 6.550 1.00 0.00 N ATOM 1253 CA LEU A 80 12.696 0.097 6.414 1.00 0.00 C ATOM 1254 C LEU A 80 13.433 0.638 7.644 1.00 0.00 C ATOM 1255 O LEU A 80 13.968 1.743 7.591 1.00 0.00 O ATOM 1256 CB LEU A 80 11.501 0.997 6.081 1.00 0.00 C ATOM 1257 CG LEU A 80 10.607 1.335 7.286 1.00 0.00 C ATOM 1258 CD1 LEU A 80 9.391 2.109 6.791 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.132 0.087 8.032 1.00 0.00 C ATOM 0 H LEU A 80 11.892 -1.531 7.474 1.00 0.00 H new ATOM 0 HA LEU A 80 13.420 0.106 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 80 11.871 1.926 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.894 0.508 5.319 1.00 0.00 H new ATOM 0 HG LEU A 80 11.199 1.928 7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.748 2.355 7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.718 3.028 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.836 1.498 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.505 0.383 8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.557 -0.545 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 80 10.995 -0.467 8.400 1.00 0.00 H new ATOM 1271 N ASP A 81 13.472 -0.115 8.742 1.00 0.00 N ATOM 1272 CA ASP A 81 14.114 0.345 9.968 1.00 0.00 C ATOM 1273 C ASP A 81 14.568 -0.825 10.846 1.00 0.00 C ATOM 1274 O ASP A 81 14.995 -0.622 11.981 1.00 0.00 O ATOM 1275 CB ASP A 81 13.128 1.236 10.730 1.00 0.00 C ATOM 1276 CG ASP A 81 13.781 1.956 11.909 1.00 0.00 C ATOM 1277 OD1 ASP A 81 14.803 2.640 11.670 1.00 0.00 O ATOM 1278 OD2 ASP A 81 13.259 1.817 13.037 1.00 0.00 O ATOM 0 H ASP A 81 13.065 -1.048 8.806 1.00 0.00 H new ATOM 0 HA ASP A 81 15.009 0.910 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.706 1.973 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.300 0.628 11.093 1.00 0.00 H new ATOM 1283 N GLY A 82 14.481 -2.056 10.333 1.00 0.00 N ATOM 1284 CA GLY A 82 14.810 -3.248 11.098 1.00 0.00 C ATOM 1285 C GLY A 82 13.559 -3.996 11.552 1.00 0.00 C ATOM 1286 O GLY A 82 13.671 -4.973 12.289 1.00 0.00 O ATOM 0 H GLY A 82 14.181 -2.247 9.377 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.428 -3.910 10.491 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.402 -2.968 11.969 1.00 0.00 H new ATOM 1290 N ARG A 83 12.372 -3.549 11.116 1.00 0.00 N ATOM 1291 CA ARG A 83 11.113 -4.200 11.426 1.00 0.00 C ATOM 1292 C ARG A 83 10.603 -4.911 10.177 1.00 0.00 C ATOM 1293 O ARG A 83 11.385 -5.362 9.347 1.00 0.00 O ATOM 1294 CB ARG A 83 10.111 -3.188 11.990 1.00 0.00 C ATOM 1295 CG ARG A 83 9.781 -2.052 11.021 1.00 0.00 C ATOM 1296 CD ARG A 83 8.393 -1.497 11.351 1.00 0.00 C ATOM 1297 NE ARG A 83 8.262 -1.165 12.778 1.00 0.00 N ATOM 1298 CZ ARG A 83 7.147 -1.339 13.494 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.040 -1.809 12.934 1.00 0.00 N ATOM 1300 NH2 ARG A 83 7.140 -1.035 14.789 1.00 0.00 N ATOM 0 H ARG A 83 12.270 -2.718 10.534 1.00 0.00 H new ATOM 0 HA ARG A 83 11.254 -4.952 12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.191 -3.709 12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.513 -2.765 12.910 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.529 -1.263 11.098 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.806 -2.415 9.994 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.206 -0.606 10.752 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.634 -2.230 11.077 1.00 0.00 H new ATOM 0 HE ARG A 83 9.077 -0.776 13.253 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.031 -2.044 11.941 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.198 -1.935 13.496 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.983 -0.671 15.232 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.291 -1.166 15.339 1.00 0.00 H new ATOM 1314 N GLU A 84 9.286 -5.001 10.053 1.00 0.00 N ATOM 1315 CA GLU A 84 8.626 -5.611 8.914 1.00 0.00 C ATOM 1316 C GLU A 84 7.654 -4.606 8.311 1.00 0.00 C ATOM 1317 O GLU A 84 7.326 -3.598 8.931 1.00 0.00 O ATOM 1318 CB GLU A 84 7.875 -6.865 9.364 1.00 0.00 C ATOM 1319 CG GLU A 84 8.850 -7.988 9.703 1.00 0.00 C ATOM 1320 CD GLU A 84 8.104 -9.256 10.099 1.00 0.00 C ATOM 1321 OE1 GLU A 84 7.768 -10.041 9.183 1.00 0.00 O ATOM 1322 OE2 GLU A 84 7.872 -9.441 11.317 1.00 0.00 O ATOM 0 H GLU A 84 8.638 -4.645 10.755 1.00 0.00 H new ATOM 0 HA GLU A 84 9.365 -5.896 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.262 -6.634 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.197 -7.191 8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.490 -8.191 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.502 -7.675 10.519 1.00 0.00 H new ATOM 1329 N LEU A 85 7.191 -4.894 7.095 1.00 0.00 N ATOM 1330 CA LEU A 85 6.229 -4.070 6.395 1.00 0.00 C ATOM 1331 C LEU A 85 5.175 -4.972 5.774 1.00 0.00 C ATOM 1332 O LEU A 85 5.434 -6.142 5.499 1.00 0.00 O ATOM 1333 CB LEU A 85 6.951 -3.245 5.323 1.00 0.00 C ATOM 1334 CG LEU A 85 7.854 -2.171 5.930 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.585 -1.455 4.798 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.044 -1.149 6.721 1.00 0.00 C ATOM 0 H LEU A 85 7.482 -5.718 6.569 1.00 0.00 H new ATOM 0 HA LEU A 85 5.741 -3.380 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.549 -3.909 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.214 -2.773 4.673 1.00 0.00 H new ATOM 0 HG LEU A 85 8.559 -2.650 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.234 -0.685 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.186 -2.174 4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.858 -0.994 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.715 -0.399 7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.325 -0.665 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.513 -1.652 7.529 1.00 0.00 H new ATOM 1348 N ARG A 86 3.975 -4.426 5.558 1.00 0.00 N ATOM 1349 CA ARG A 86 2.848 -5.212 5.100 1.00 0.00 C ATOM 1350 C ARG A 86 1.990 -4.440 4.122 1.00 0.00 C ATOM 1351 O ARG A 86 1.831 -3.224 4.222 1.00 0.00 O ATOM 1352 CB ARG A 86 1.993 -5.604 6.312 1.00 0.00 C ATOM 1353 CG ARG A 86 2.599 -6.757 7.118 1.00 0.00 C ATOM 1354 CD ARG A 86 2.617 -8.049 6.299 1.00 0.00 C ATOM 1355 NE ARG A 86 1.253 -8.503 6.001 1.00 0.00 N ATOM 1356 CZ ARG A 86 0.650 -9.556 6.559 1.00 0.00 C ATOM 1357 NH1 ARG A 86 1.266 -10.308 7.464 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -0.594 -9.859 6.203 1.00 0.00 N ATOM 0 H ARG A 86 3.768 -3.437 5.697 1.00 0.00 H new ATOM 0 HA ARG A 86 3.232 -6.096 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.872 -4.737 6.961 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.997 -5.889 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.614 -6.500 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.023 -6.909 8.031 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.161 -7.886 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.150 -8.825 6.849 1.00 0.00 H new ATOM 0 HE ARG A 86 0.722 -7.971 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.221 -10.086 7.747 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.785 -11.107 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.079 -9.289 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.064 -10.661 6.623 1.00 0.00 H new ATOM 1372 N VAL A 87 1.434 -5.181 3.166 1.00 0.00 N ATOM 1373 CA VAL A 87 0.522 -4.662 2.171 1.00 0.00 C ATOM 1374 C VAL A 87 -0.195 -5.841 1.524 1.00 0.00 C ATOM 1375 O VAL A 87 0.431 -6.846 1.180 1.00 0.00 O ATOM 1376 CB VAL A 87 1.302 -3.849 1.138 1.00 0.00 C ATOM 1377 CG1 VAL A 87 2.532 -4.603 0.650 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.425 -3.521 -0.066 1.00 0.00 C ATOM 0 H VAL A 87 1.614 -6.180 3.067 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.216 -4.001 2.625 1.00 0.00 H new ATOM 0 HB VAL A 87 1.617 -2.929 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.063 -3.996 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.190 -4.811 1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.224 -5.542 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.000 -2.942 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.085 -4.446 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.438 -2.940 0.260 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.511 -5.727 1.355 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.330 -6.780 0.770 1.00 0.00 C ATOM 1390 C GLN A 88 -3.723 -6.231 0.480 1.00 0.00 C ATOM 1391 O GLN A 88 -4.047 -5.114 0.881 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.420 -7.975 1.733 1.00 0.00 C ATOM 1393 CG GLN A 88 -2.954 -7.597 3.118 1.00 0.00 C ATOM 1394 CD GLN A 88 -1.889 -6.957 4.006 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.916 -7.606 4.382 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.064 -5.687 4.352 1.00 0.00 N ATOM 0 H GLN A 88 -2.039 -4.896 1.622 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.875 -7.119 -0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.067 -8.736 1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.431 -8.421 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.790 -6.906 3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.342 -8.489 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.883 -5.177 4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.379 -5.222 4.947 1.00 0.00 H new ATOM 1405 N MET A 89 -4.552 -7.012 -0.215 1.00 0.00 N ATOM 1406 CA MET A 89 -5.920 -6.609 -0.507 1.00 0.00 C ATOM 1407 C MET A 89 -6.701 -6.470 0.801 1.00 0.00 C ATOM 1408 O MET A 89 -6.320 -7.044 1.822 1.00 0.00 O ATOM 1409 CB MET A 89 -6.565 -7.627 -1.453 1.00 0.00 C ATOM 1410 CG MET A 89 -5.708 -7.780 -2.713 1.00 0.00 C ATOM 1411 SD MET A 89 -5.467 -6.247 -3.653 1.00 0.00 S ATOM 1412 CE MET A 89 -4.070 -6.747 -4.696 1.00 0.00 C ATOM 0 H MET A 89 -4.295 -7.927 -0.585 1.00 0.00 H new ATOM 0 HA MET A 89 -5.929 -5.640 -1.006 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.666 -8.590 -0.952 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.570 -7.301 -1.723 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.732 -8.173 -2.427 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.172 -8.521 -3.364 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.649 -5.869 -5.186 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.306 -7.219 -4.079 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.414 -7.454 -5.451 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.798 -5.710 0.776 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.551 -5.383 1.977 1.00 0.00 C ATOM 1424 C ALA A 90 -9.948 -6.003 1.970 1.00 0.00 C ATOM 1425 O ALA A 90 -10.292 -6.791 1.086 1.00 0.00 O ATOM 1426 CB ALA A 90 -8.638 -3.861 2.093 1.00 0.00 C ATOM 0 H ALA A 90 -8.184 -5.307 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.032 -5.801 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.200 -3.596 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.633 -3.443 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.143 -3.457 1.215 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.746 -5.631 2.980 1.00 0.00 N ATOM 1433 CA ARG A 91 -12.101 -6.122 3.181 1.00 0.00 C ATOM 1434 C ARG A 91 -13.028 -4.937 3.434 1.00 0.00 C ATOM 1435 O ARG A 91 -12.559 -3.802 3.537 1.00 0.00 O ATOM 1436 CB ARG A 91 -12.100 -7.098 4.365 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.935 -6.337 5.683 1.00 0.00 C ATOM 1438 CD ARG A 91 -11.528 -7.273 6.818 1.00 0.00 C ATOM 1439 NE ARG A 91 -11.315 -6.522 8.064 1.00 0.00 N ATOM 1440 CZ ARG A 91 -10.995 -7.082 9.230 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -10.852 -8.403 9.338 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -10.812 -6.319 10.303 1.00 0.00 N ATOM 0 H ARG A 91 -10.453 -4.963 3.693 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.459 -6.650 2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.031 -7.664 4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.290 -7.819 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.182 -5.558 5.564 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.871 -5.839 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.302 -8.026 6.970 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.615 -7.804 6.548 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.419 -5.508 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.988 -8.999 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.607 -8.818 10.237 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.917 -5.307 10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.567 -6.746 11.196 1.00 0.00 H new ATOM 1456 N TYR A 92 -14.335 -5.204 3.540 1.00 0.00 N ATOM 1457 CA TYR A 92 -15.344 -4.160 3.685 1.00 0.00 C ATOM 1458 C TYR A 92 -15.196 -3.089 2.604 1.00 0.00 C ATOM 1459 O TYR A 92 -14.497 -3.277 1.605 1.00 0.00 O ATOM 1460 CB TYR A 92 -15.233 -3.509 5.073 1.00 0.00 C ATOM 1461 CG TYR A 92 -15.100 -4.445 6.250 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.842 -5.632 6.319 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -14.218 -4.108 7.292 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.698 -6.484 7.423 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -14.069 -4.954 8.397 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.811 -6.149 8.467 1.00 0.00 C ATOM 1467 OH TYR A 92 -14.678 -6.978 9.543 1.00 0.00 O ATOM 0 H TYR A 92 -14.718 -6.149 3.527 1.00 0.00 H new ATOM 0 HA TYR A 92 -16.324 -4.625 3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -14.371 -2.842 5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -16.115 -2.888 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.524 -5.890 5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -13.652 -3.190 7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.268 -7.400 7.474 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -13.388 -4.691 9.193 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.026 -6.599 10.169 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.860 -1.953 2.815 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.637 -0.742 2.040 1.00 0.00 C ATOM 1479 C GLY A 93 -15.059 0.301 2.991 1.00 0.00 C ATOM 1480 O GLY A 93 -14.207 1.104 2.610 1.00 0.00 O ATOM 0 H GLY A 93 -16.574 -1.851 3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.950 -0.934 1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.570 -0.388 1.602 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.542 0.268 4.240 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.028 0.983 5.390 1.00 0.00 C ATOM 1486 C ARG A 94 -15.778 0.411 6.598 1.00 0.00 C ATOM 1487 O ARG A 94 -16.825 -0.209 6.420 1.00 0.00 O ATOM 1488 CB ARG A 94 -15.229 2.490 5.202 1.00 0.00 C ATOM 1489 CG ARG A 94 -16.642 2.945 5.572 1.00 0.00 C ATOM 1490 CD ARG A 94 -16.868 4.378 5.095 1.00 0.00 C ATOM 1491 NE ARG A 94 -16.046 5.351 5.822 1.00 0.00 N ATOM 1492 CZ ARG A 94 -16.164 6.672 5.684 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -17.069 7.188 4.854 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.384 7.495 6.375 1.00 0.00 N ATOM 0 H ARG A 94 -16.356 -0.299 4.477 1.00 0.00 H new ATOM 0 HA ARG A 94 -13.955 0.854 5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.506 3.029 5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.027 2.753 4.164 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -17.378 2.281 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.782 2.885 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.644 4.442 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.920 4.635 5.215 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.343 4.997 6.471 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.679 6.571 4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.152 8.200 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.687 7.118 7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.481 8.504 6.263 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.279 0.600 7.821 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.898 0.116 9.045 1.00 0.00 C ATOM 1510 C PRO A 95 -17.342 0.612 9.180 1.00 0.00 C ATOM 1511 O PRO A 95 -17.641 1.754 8.838 1.00 0.00 O ATOM 1512 CB PRO A 95 -14.999 0.638 10.176 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.263 1.815 9.532 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.058 1.300 8.114 1.00 0.00 C ATOM 0 HA PRO A 95 -15.973 -0.971 9.064 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.584 0.954 11.040 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.305 -0.128 10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.853 2.731 9.555 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.319 2.032 10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.888 2.117 7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.193 0.639 8.050 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.245 -0.246 9.677 1.00 0.00 N ATOM 1523 CA PRO A 96 -19.655 0.075 9.860 1.00 0.00 C ATOM 1524 C PRO A 96 -19.881 0.963 11.081 1.00 0.00 C ATOM 1525 O PRO A 96 -20.993 1.436 11.312 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.335 -1.281 10.056 1.00 0.00 C ATOM 1527 CG PRO A 96 -19.255 -2.120 10.736 1.00 0.00 C ATOM 1528 CD PRO A 96 -17.968 -1.609 10.089 1.00 0.00 C ATOM 0 HA PRO A 96 -20.052 0.631 9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.229 -1.197 10.675 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.645 -1.717 9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.250 -1.974 11.816 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.400 -3.186 10.559 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.137 -1.643 10.793 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.688 -2.226 9.235 1.00 0.00 H new ATOM 1536 N ASP A 97 -18.824 1.190 11.864 1.00 0.00 N ATOM 1537 CA ASP A 97 -18.851 1.985 13.083 1.00 0.00 C ATOM 1538 C ASP A 97 -17.537 2.756 13.210 1.00 0.00 C ATOM 1539 O ASP A 97 -16.730 2.763 12.283 1.00 0.00 O ATOM 1540 CB ASP A 97 -19.061 1.068 14.293 1.00 0.00 C ATOM 1541 CG ASP A 97 -20.446 0.432 14.297 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -21.410 1.153 14.635 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -20.535 -0.772 13.964 1.00 0.00 O ATOM 0 H ASP A 97 -17.900 0.812 11.656 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.675 2.697 13.044 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -18.303 0.285 14.290 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.923 1.641 15.210 1.00 0.00 H new ATOM 1548 N SER A 98 -17.317 3.405 14.353 1.00 0.00 N ATOM 1549 CA SER A 98 -16.117 4.194 14.583 1.00 0.00 C ATOM 1550 C SER A 98 -15.497 3.882 15.945 1.00 0.00 C ATOM 1551 O SER A 98 -15.006 4.781 16.623 1.00 0.00 O ATOM 1552 CB SER A 98 -16.407 5.681 14.408 1.00 0.00 C ATOM 1553 OG SER A 98 -17.486 6.080 15.221 1.00 0.00 O ATOM 0 H SER A 98 -17.966 3.396 15.140 1.00 0.00 H new ATOM 0 HA SER A 98 -15.377 3.917 13.833 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.520 6.261 14.663 1.00 0.00 H new ATOM 0 HB3 SER A 98 -16.636 5.891 13.363 1.00 0.00 H new ATOM 0 HG SER A 98 -17.654 7.037 15.095 1.00 0.00 H new ATOM 1559 N HIS A 99 -15.527 2.600 16.336 1.00 0.00 N ATOM 1560 CA HIS A 99 -14.826 2.110 17.514 1.00 0.00 C ATOM 1561 C HIS A 99 -15.018 3.021 18.730 1.00 0.00 C ATOM 1562 O HIS A 99 -14.046 3.435 19.365 1.00 0.00 O ATOM 1563 CB HIS A 99 -13.355 1.910 17.148 1.00 0.00 C ATOM 1564 CG HIS A 99 -13.145 0.762 16.200 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -13.358 -0.589 16.490 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -12.716 0.881 14.911 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -13.041 -1.250 15.362 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -12.649 -0.394 14.402 1.00 0.00 N ATOM 0 H HIS A 99 -16.043 1.876 15.836 1.00 0.00 H new ATOM 0 HA HIS A 99 -15.250 1.153 17.818 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -12.969 2.824 16.697 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.779 1.736 18.057 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.476 1.797 14.392 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -13.094 -2.322 15.244 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -12.353 -0.647 13.459 1.00 0.00 H new ATOM 1576 N HIS A 100 -16.279 3.327 19.046 1.00 0.00 N ATOM 1577 CA HIS A 100 -16.649 4.197 20.159 1.00 0.00 C ATOM 1578 C HIS A 100 -16.001 3.760 21.473 1.00 0.00 C ATOM 1579 O HIS A 100 -15.638 2.595 21.646 1.00 0.00 O ATOM 1580 CB HIS A 100 -18.172 4.198 20.308 1.00 0.00 C ATOM 1581 CG HIS A 100 -18.892 4.481 19.017 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -18.775 5.657 18.271 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -19.756 3.630 18.391 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -19.573 5.476 17.204 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -20.172 4.272 17.249 1.00 0.00 N ATOM 0 H HIS A 100 -17.081 2.971 18.527 1.00 0.00 H new ATOM 0 HA HIS A 100 -16.287 5.201 19.937 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -18.494 3.230 20.692 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -18.458 4.946 21.048 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -20.054 2.647 18.726 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -19.714 6.201 16.416 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -20.822 3.900 16.556 1.00 0.00 H new ATOM 1593 N SER A 101 -15.863 4.709 22.404 1.00 0.00 N ATOM 1594 CA SER A 101 -15.270 4.463 23.713 1.00 0.00 C ATOM 1595 C SER A 101 -15.843 5.432 24.739 1.00 0.00 C ATOM 1596 O SER A 101 -15.772 6.655 24.480 1.00 0.00 O ATOM 1597 CB SER A 101 -13.750 4.626 23.611 1.00 0.00 C ATOM 1598 OG SER A 101 -13.156 4.333 24.856 1.00 0.00 O ATOM 1599 OXT SER A 101 -16.349 4.943 25.772 1.00 0.00 O ATOM 0 H SER A 101 -16.163 5.674 22.265 1.00 0.00 H new ATOM 0 HA SER A 101 -15.503 3.449 24.037 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.354 3.962 22.843 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.503 5.644 23.310 1.00 0.00 H new ATOM 0 HG SER A 101 -12.184 4.437 24.787 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -4.605 -5.230 16.370 1.00 0.00 O ATOM 1607 C5' U B 102 -4.154 -5.235 15.029 1.00 0.00 C ATOM 1608 C4' U B 102 -3.841 -3.812 14.575 1.00 0.00 C ATOM 1609 O4' U B 102 -2.615 -3.394 15.135 1.00 0.00 O ATOM 1610 C3' U B 102 -3.623 -3.746 13.071 1.00 0.00 C ATOM 1611 O3' U B 102 -4.836 -3.676 12.343 1.00 0.00 O ATOM 1612 C2' U B 102 -2.794 -2.471 12.951 1.00 0.00 C ATOM 1613 O2' U B 102 -3.642 -1.351 12.801 1.00 0.00 O ATOM 1614 C1' U B 102 -2.101 -2.367 14.314 1.00 0.00 C ATOM 1615 N1 U B 102 -0.625 -2.465 14.204 1.00 0.00 N ATOM 1616 C2 U B 102 -0.038 -3.584 13.620 1.00 0.00 C ATOM 1617 O2 U B 102 -0.686 -4.549 13.216 1.00 0.00 O ATOM 1618 N3 U B 102 1.342 -3.561 13.510 1.00 0.00 N ATOM 1619 C4 U B 102 2.179 -2.549 13.945 1.00 0.00 C ATOM 1620 O4 U B 102 3.400 -2.631 13.794 1.00 0.00 O ATOM 1621 C5 U B 102 1.489 -1.442 14.568 1.00 0.00 C ATOM 1622 C6 U B 102 0.141 -1.434 14.677 1.00 0.00 C ATOM 0 H5' U B 102 -4.915 -5.672 14.383 1.00 0.00 H new ATOM 0 H5'' U B 102 -3.264 -5.858 14.939 1.00 0.00 H new ATOM 0 H4' U B 102 -4.684 -3.193 14.882 1.00 0.00 H new ATOM 0 H3' U B 102 -3.143 -4.632 12.654 1.00 0.00 H new ATOM 0 H2' U B 102 -2.112 -2.495 12.101 1.00 0.00 H new ATOM 0 HO2' U B 102 -3.116 -0.580 12.503 1.00 0.00 H new ATOM 0 HO5' U B 102 -4.805 -6.147 16.651 1.00 0.00 H new ATOM 0 H1' U B 102 -2.304 -1.388 14.748 1.00 0.00 H new ATOM 0 H3 U B 102 1.783 -4.366 13.066 1.00 0.00 H new ATOM 0 H5 U B 102 2.059 -0.609 14.952 1.00 0.00 H new ATOM 0 H6 U B 102 -0.344 -0.592 15.149 1.00 0.00 H new ATOM 1634 P C B 103 -4.853 -3.930 10.757 1.00 0.00 P ATOM 1635 OP1 C B 103 -4.914 -5.389 10.521 1.00 0.00 O ATOM 1636 OP2 C B 103 -3.766 -3.140 10.136 1.00 0.00 O ATOM 1637 O5' C B 103 -6.250 -3.302 10.249 1.00 0.00 O ATOM 1638 C5' C B 103 -6.397 -1.911 10.053 1.00 0.00 C ATOM 1639 C4' C B 103 -7.743 -1.607 9.389 1.00 0.00 C ATOM 1640 O4' C B 103 -7.789 -2.204 8.101 1.00 0.00 O ATOM 1641 C3' C B 103 -8.901 -2.154 10.219 1.00 0.00 C ATOM 1642 O3' C B 103 -9.926 -1.184 10.347 1.00 0.00 O ATOM 1643 C2' C B 103 -9.378 -3.361 9.418 1.00 0.00 C ATOM 1644 O2' C B 103 -10.774 -3.538 9.504 1.00 0.00 O ATOM 1645 C1' C B 103 -8.926 -3.047 7.993 1.00 0.00 C ATOM 1646 N1 C B 103 -8.568 -4.275 7.249 1.00 0.00 N ATOM 1647 C2 C B 103 -8.990 -4.378 5.931 1.00 0.00 C ATOM 1648 O2 C B 103 -9.640 -3.472 5.411 1.00 0.00 O ATOM 1649 N3 C B 103 -8.671 -5.495 5.225 1.00 0.00 N ATOM 1650 C4 C B 103 -7.981 -6.482 5.794 1.00 0.00 C ATOM 1651 N4 C B 103 -7.700 -7.560 5.069 1.00 0.00 N ATOM 1652 C5 C B 103 -7.537 -6.400 7.151 1.00 0.00 C ATOM 1653 C6 C B 103 -7.849 -5.278 7.835 1.00 0.00 C ATOM 0 H5' C B 103 -5.584 -1.537 9.431 1.00 0.00 H new ATOM 0 H5'' C B 103 -6.331 -1.393 11.010 1.00 0.00 H new ATOM 0 H4' C B 103 -7.840 -0.524 9.311 1.00 0.00 H new ATOM 0 H3' C B 103 -8.613 -2.416 11.237 1.00 0.00 H new ATOM 0 H2' C B 103 -8.967 -4.299 9.791 1.00 0.00 H new ATOM 0 HO2' C B 103 -11.184 -2.729 9.874 1.00 0.00 H new ATOM 0 H1' C B 103 -9.737 -2.568 7.444 1.00 0.00 H new ATOM 0 H41 C B 103 -7.173 -8.329 5.482 1.00 0.00 H new ATOM 0 H42 C B 103 -8.012 -7.618 4.099 1.00 0.00 H new ATOM 0 H5 C B 103 -6.976 -7.201 7.609 1.00 0.00 H new ATOM 0 H6 C B 103 -7.525 -5.172 8.860 1.00 0.00 H new ATOM 1665 P C B 104 -9.774 0.016 11.415 1.00 0.00 P ATOM 1666 OP1 C B 104 -8.494 -0.166 12.133 1.00 0.00 O ATOM 1667 OP2 C B 104 -11.041 0.081 12.182 1.00 0.00 O ATOM 1668 O5' C B 104 -9.658 1.355 10.524 1.00 0.00 O ATOM 1669 C5' C B 104 -10.827 1.996 10.059 1.00 0.00 C ATOM 1670 C4' C B 104 -10.524 3.248 9.234 1.00 0.00 C ATOM 1671 O4' C B 104 -9.624 2.947 8.177 1.00 0.00 O ATOM 1672 C3' C B 104 -11.803 3.774 8.587 1.00 0.00 C ATOM 1673 O3' C B 104 -12.470 4.781 9.321 1.00 0.00 O ATOM 1674 C2' C B 104 -11.371 4.265 7.224 1.00 0.00 C ATOM 1675 O2' C B 104 -11.058 5.642 7.232 1.00 0.00 O ATOM 1676 C1' C B 104 -10.100 3.486 6.959 1.00 0.00 C ATOM 1677 N1 C B 104 -10.408 2.381 6.022 1.00 0.00 N ATOM 1678 C2 C B 104 -10.067 2.498 4.681 1.00 0.00 C ATOM 1679 O2 C B 104 -9.503 3.513 4.264 1.00 0.00 O ATOM 1680 N3 C B 104 -10.372 1.468 3.842 1.00 0.00 N ATOM 1681 C4 C B 104 -10.977 0.375 4.301 1.00 0.00 C ATOM 1682 N4 C B 104 -11.245 -0.611 3.445 1.00 0.00 N ATOM 1683 C5 C B 104 -11.334 0.238 5.676 1.00 0.00 C ATOM 1684 C6 C B 104 -11.037 1.269 6.489 1.00 0.00 C ATOM 0 H5' C B 104 -11.450 2.269 10.911 1.00 0.00 H new ATOM 0 H5'' C B 104 -11.403 1.297 9.453 1.00 0.00 H new ATOM 0 H4' C B 104 -10.091 3.986 9.910 1.00 0.00 H new ATOM 0 H3' C B 104 -12.549 2.981 8.539 1.00 0.00 H new ATOM 0 H2' C B 104 -12.157 4.127 6.482 1.00 0.00 H new ATOM 0 HO2' C B 104 -10.128 5.764 7.514 1.00 0.00 H new ATOM 0 H1' C B 104 -9.341 4.140 6.528 1.00 0.00 H new ATOM 0 H41 C B 104 -11.708 -1.459 3.772 1.00 0.00 H new ATOM 0 H42 C B 104 -10.987 -0.518 2.463 1.00 0.00 H new ATOM 0 H5 C B 104 -11.820 -0.652 6.047 1.00 0.00 H new ATOM 0 H6 C B 104 -11.304 1.212 7.534 1.00 0.00 H new ATOM 1696 P A B 105 -13.871 5.355 8.777 1.00 0.00 P ATOM 1697 OP1 A B 105 -14.386 4.417 7.762 1.00 0.00 O ATOM 1698 OP2 A B 105 -13.691 6.768 8.404 1.00 0.00 O ATOM 1699 O5' A B 105 -14.862 5.283 10.041 1.00 0.00 O ATOM 1700 C5' A B 105 -15.369 6.446 10.662 1.00 0.00 C ATOM 1701 C4' A B 105 -14.447 7.002 11.744 1.00 0.00 C ATOM 1702 O4' A B 105 -14.008 5.953 12.596 1.00 0.00 O ATOM 1703 C3' A B 105 -13.209 7.787 11.285 1.00 0.00 C ATOM 1704 O3' A B 105 -13.214 9.054 11.915 1.00 0.00 O ATOM 1705 C2' A B 105 -12.060 6.950 11.832 1.00 0.00 C ATOM 1706 O2' A B 105 -10.930 7.711 12.210 1.00 0.00 O ATOM 1707 C1' A B 105 -12.729 6.332 13.049 1.00 0.00 C ATOM 1708 N9 A B 105 -11.935 5.240 13.639 1.00 0.00 N ATOM 1709 C8 A B 105 -11.220 4.269 13.003 1.00 0.00 C ATOM 1710 N7 A B 105 -10.557 3.475 13.797 1.00 0.00 N ATOM 1711 C5 A B 105 -10.864 3.961 15.069 1.00 0.00 C ATOM 1712 C6 A B 105 -10.477 3.595 16.371 1.00 0.00 C ATOM 1713 N6 A B 105 -9.634 2.597 16.636 1.00 0.00 N ATOM 1714 N1 A B 105 -10.982 4.278 17.411 1.00 0.00 N ATOM 1715 C2 A B 105 -11.819 5.277 17.167 1.00 0.00 C ATOM 1716 N3 A B 105 -12.238 5.736 15.999 1.00 0.00 N ATOM 1717 C4 A B 105 -11.719 5.024 14.976 1.00 0.00 C ATOM 0 H5' A B 105 -16.340 6.221 11.102 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.533 7.212 9.904 1.00 0.00 H new ATOM 0 H4' A B 105 -15.079 7.733 12.248 1.00 0.00 H new ATOM 0 H3' A B 105 -13.155 7.948 10.208 1.00 0.00 H new ATOM 0 H2' A B 105 -11.653 6.249 11.103 1.00 0.00 H new ATOM 0 HO2' A B 105 -10.673 8.303 11.473 1.00 0.00 H new ATOM 0 H1' A B 105 -12.811 7.029 13.883 1.00 0.00 H new ATOM 0 H8 A B 105 -11.204 4.166 11.928 1.00 0.00 H new ATOM 0 H61 A B 105 -9.390 2.378 17.602 1.00 0.00 H new ATOM 0 H62 A B 105 -9.233 2.052 15.873 1.00 0.00 H new ATOM 0 H2 A B 105 -12.211 5.783 18.037 1.00 0.00 H new ATOM 1729 P G B 106 -14.078 10.275 11.316 1.00 0.00 P ATOM 1730 OP1 G B 106 -14.291 11.259 12.404 1.00 0.00 O ATOM 1731 OP2 G B 106 -15.246 9.726 10.593 1.00 0.00 O ATOM 1732 O5' G B 106 -13.073 10.934 10.237 1.00 0.00 O ATOM 1733 C5' G B 106 -11.939 11.650 10.682 1.00 0.00 C ATOM 1734 C4' G B 106 -11.214 12.349 9.529 1.00 0.00 C ATOM 1735 O4' G B 106 -10.477 11.433 8.738 1.00 0.00 O ATOM 1736 C3' G B 106 -12.180 13.107 8.624 1.00 0.00 C ATOM 1737 O3' G B 106 -11.676 14.412 8.440 1.00 0.00 O ATOM 1738 C2' G B 106 -12.164 12.343 7.310 1.00 0.00 C ATOM 1739 O2' G B 106 -12.165 13.210 6.195 1.00 0.00 O ATOM 1740 C1' G B 106 -10.887 11.520 7.382 1.00 0.00 C ATOM 1741 N9 G B 106 -11.170 10.177 6.857 1.00 0.00 N ATOM 1742 C8 G B 106 -12.146 9.302 7.255 1.00 0.00 C ATOM 1743 N7 G B 106 -12.192 8.218 6.527 1.00 0.00 N ATOM 1744 C5 G B 106 -11.144 8.371 5.615 1.00 0.00 C ATOM 1745 C6 G B 106 -10.700 7.518 4.560 1.00 0.00 C ATOM 1746 O6 G B 106 -11.155 6.431 4.208 1.00 0.00 O ATOM 1747 N1 G B 106 -9.608 8.047 3.884 1.00 0.00 N ATOM 1748 C2 G B 106 -9.025 9.257 4.180 1.00 0.00 C ATOM 1749 N2 G B 106 -7.981 9.619 3.443 1.00 0.00 N ATOM 1750 N3 G B 106 -9.441 10.069 5.154 1.00 0.00 N ATOM 1751 C4 G B 106 -10.500 9.563 5.830 1.00 0.00 C ATOM 0 H5' G B 106 -11.252 10.967 11.181 1.00 0.00 H new ATOM 0 H5'' G B 106 -12.245 12.391 11.420 1.00 0.00 H new ATOM 0 H4' G B 106 -10.528 13.057 9.994 1.00 0.00 H new ATOM 0 H3' G B 106 -13.189 13.182 9.029 1.00 0.00 H new ATOM 0 H2' G B 106 -13.053 11.726 7.179 1.00 0.00 H new ATOM 0 HO2' G B 106 -11.961 14.122 6.490 1.00 0.00 H new ATOM 0 H1' G B 106 -10.094 11.983 6.795 1.00 0.00 H new ATOM 0 H8 G B 106 -12.810 9.489 8.086 1.00 0.00 H new ATOM 0 H1 G B 106 -9.212 7.502 3.118 1.00 0.00 H new ATOM 0 H21 G B 106 -7.513 10.507 3.623 1.00 0.00 H new ATOM 0 H22 G B 106 -7.647 9.008 2.697 1.00 0.00 H new ATOM 1763 P U B 107 -12.340 15.676 9.177 1.00 0.00 P ATOM 1764 OP1 U B 107 -11.292 16.701 9.373 1.00 0.00 O ATOM 1765 OP2 U B 107 -13.123 15.189 10.333 1.00 0.00 O ATOM 1766 O5' U B 107 -13.359 16.204 8.047 1.00 0.00 O ATOM 1767 C5' U B 107 -12.863 16.911 6.932 1.00 0.00 C ATOM 1768 C4' U B 107 -13.987 17.196 5.936 1.00 0.00 C ATOM 1769 O4' U B 107 -13.643 18.304 5.121 1.00 0.00 O ATOM 1770 C3' U B 107 -14.180 16.054 4.949 1.00 0.00 C ATOM 1771 O3' U B 107 -15.428 16.226 4.305 1.00 0.00 O ATOM 1772 C2' U B 107 -13.016 16.315 4.005 1.00 0.00 C ATOM 1773 O2' U B 107 -13.259 15.820 2.708 1.00 0.00 O ATOM 1774 C1' U B 107 -12.879 17.840 4.013 1.00 0.00 C ATOM 1775 N1 U B 107 -11.441 18.226 4.042 1.00 0.00 N ATOM 1776 C2 U B 107 -11.022 19.304 4.827 1.00 0.00 C ATOM 1777 O2 U B 107 -11.791 20.000 5.490 1.00 0.00 O ATOM 1778 N3 U B 107 -9.662 19.574 4.826 1.00 0.00 N ATOM 1779 C4 U B 107 -8.694 18.891 4.107 1.00 0.00 C ATOM 1780 O4 U B 107 -7.510 19.216 4.178 1.00 0.00 O ATOM 1781 C5 U B 107 -9.215 17.812 3.302 1.00 0.00 C ATOM 1782 C6 U B 107 -10.536 17.520 3.291 1.00 0.00 C ATOM 0 H5' U B 107 -12.077 16.332 6.447 1.00 0.00 H new ATOM 0 H5'' U B 107 -12.413 17.848 7.259 1.00 0.00 H new ATOM 0 H4' U B 107 -14.882 17.359 6.537 1.00 0.00 H new ATOM 0 H3' U B 107 -14.190 15.045 5.362 1.00 0.00 H new ATOM 0 H2' U B 107 -12.105 15.807 4.321 1.00 0.00 H new ATOM 0 HO2' U B 107 -12.923 16.459 2.046 1.00 0.00 H new ATOM 0 HO3' U B 107 -15.600 17.182 4.176 1.00 0.00 H new ATOM 0 H1' U B 107 -13.266 18.309 3.108 1.00 0.00 H new ATOM 0 H3 U B 107 -9.344 20.348 5.409 1.00 0.00 H new ATOM 0 H5 U B 107 -8.538 17.227 2.697 1.00 0.00 H new ATOM 0 H6 U B 107 -10.888 16.707 2.673 1.00 0.00 H new TER 1794 U B 107