USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 26:sc= 1.65 USER MOD Set 1.2: B 104 G O2' : rot -59:sc= 0.185 USER MOD Set 1.3: B 105 A O2' : rot -54:sc= 0.841 USER MOD Set 2.1: A 50 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 100 HIS : no HD1:sc= -0.0596 X(o=-0.06,f=0.087) USER MOD Set 3.1: A 72 MET CE :methyl 174:sc= -0.738 (180deg=-0.953) USER MOD Set 3.2: A 89 MET CE :methyl 160:sc= -0.128 (180deg=-0.347) USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= -0.0583 USER MOD Set 4.2: A 75 MET CE :methyl 173:sc= -3.82 (180deg=-3.7) USER MOD Set 5.1: A 26 SER OG : rot 180:sc= 0.332 USER MOD Set 5.2: A 29 THR OG1 : rot 86:sc= 0.354 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.91 (180deg=0.82) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00484 USER MOD Single : A 3 TYR OH : rot 31:sc= 0.185 USER MOD Single : A 13 MET CE :methyl -128:sc= -0.0142 (180deg=-1.97!) USER MOD Single : A 14 THR OG1 : rot 90:sc= -1.65 USER MOD Single : A 15 SER OG : rot 20:sc= 0.695 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.156 (180deg=-0.681!) USER MOD Single : A 20 ASN : amide:sc= 0.133 X(o=0.13,f=-0.24) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.277 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 52 LYS NZ :NH3+ -168:sc=-0.00831 (180deg=-0.147) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.92 F(o=-2.5,f=-0.92) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0524) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 92 TYR OH : rot 110:sc= 0.037 USER MOD Single : A 98 SER OG : rot 180:sc= 0.147 USER MOD Single : A 99 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 155:sc= 0.321 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 G O2' : rot -55:sc= 1.15 USER MOD Single : B 106 G O2' : rot -111:sc= 0.142 USER MOD Single : B 107 U O2' : rot 174:sc= 0 USER MOD Single : B 107 U O3' : rot 127:sc= -0.155 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.104 15.858 2.777 1.00 0.00 N ATOM 2 CA MET A 1 -16.916 16.281 3.538 1.00 0.00 C ATOM 3 C MET A 1 -15.799 15.251 3.395 1.00 0.00 C ATOM 4 O MET A 1 -15.788 14.234 4.086 1.00 0.00 O ATOM 5 CB MET A 1 -17.268 16.524 5.008 1.00 0.00 C ATOM 6 CG MET A 1 -16.062 17.068 5.775 1.00 0.00 C ATOM 7 SD MET A 1 -15.421 18.630 5.120 1.00 0.00 S ATOM 8 CE MET A 1 -14.063 18.893 6.288 1.00 0.00 C ATOM 0 H1 MET A 1 -18.911 16.463 3.029 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.912 15.943 1.758 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.328 14.869 3.006 1.00 0.00 H new ATOM 0 HA MET A 1 -16.558 17.225 3.127 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.096 17.230 5.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.605 15.593 5.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.342 17.210 6.819 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.266 16.324 5.757 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.545 19.819 6.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.462 18.959 7.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.364 18.059 6.227 1.00 0.00 H new ATOM 18 N SER A 2 -14.858 15.526 2.485 1.00 0.00 N ATOM 19 CA SER A 2 -13.743 14.637 2.182 1.00 0.00 C ATOM 20 C SER A 2 -12.521 15.457 1.777 1.00 0.00 C ATOM 21 O SER A 2 -12.460 16.661 2.031 1.00 0.00 O ATOM 22 CB SER A 2 -14.138 13.675 1.060 1.00 0.00 C ATOM 23 OG SER A 2 -15.304 12.955 1.402 1.00 0.00 O ATOM 0 H SER A 2 -14.854 16.384 1.934 1.00 0.00 H new ATOM 0 HA SER A 2 -13.493 14.056 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.307 14.233 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.321 12.981 0.866 1.00 0.00 H new ATOM 0 HG SER A 2 -15.540 12.347 0.670 1.00 0.00 H new ATOM 29 N TYR A 3 -11.550 14.793 1.140 1.00 0.00 N ATOM 30 CA TYR A 3 -10.297 15.388 0.700 1.00 0.00 C ATOM 31 C TYR A 3 -10.493 16.708 -0.049 1.00 0.00 C ATOM 32 O TYR A 3 -9.632 17.582 0.019 1.00 0.00 O ATOM 33 CB TYR A 3 -9.559 14.388 -0.193 1.00 0.00 C ATOM 34 CG TYR A 3 -9.086 13.143 0.523 1.00 0.00 C ATOM 35 CD1 TYR A 3 -10.012 12.170 0.940 1.00 0.00 C ATOM 36 CD2 TYR A 3 -7.715 12.958 0.765 1.00 0.00 C ATOM 37 CE1 TYR A 3 -9.565 11.020 1.609 1.00 0.00 C ATOM 38 CE2 TYR A 3 -7.262 11.803 1.421 1.00 0.00 C ATOM 39 CZ TYR A 3 -8.188 10.829 1.849 1.00 0.00 C ATOM 40 OH TYR A 3 -7.746 9.712 2.488 1.00 0.00 O ATOM 0 H TYR A 3 -11.622 13.801 0.913 1.00 0.00 H new ATOM 0 HA TYR A 3 -9.712 15.619 1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.217 14.094 -1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.698 14.885 -0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.065 12.308 0.746 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.006 13.708 0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.277 10.279 1.941 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.206 11.660 1.598 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.344 8.962 2.287 1.00 0.00 H new ATOM 50 N GLY A 4 -11.615 16.868 -0.762 1.00 0.00 N ATOM 51 CA GLY A 4 -11.922 18.126 -1.415 1.00 0.00 C ATOM 52 C GLY A 4 -11.292 18.241 -2.808 1.00 0.00 C ATOM 53 O GLY A 4 -10.861 19.329 -3.192 1.00 0.00 O ATOM 0 H GLY A 4 -12.316 16.139 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.004 18.231 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.570 18.949 -0.793 1.00 0.00 H new ATOM 57 N ARG A 5 -11.238 17.128 -3.555 1.00 0.00 N ATOM 58 CA ARG A 5 -10.672 17.046 -4.905 1.00 0.00 C ATOM 59 C ARG A 5 -9.403 17.884 -5.101 1.00 0.00 C ATOM 60 O ARG A 5 -9.316 18.652 -6.060 1.00 0.00 O ATOM 61 CB ARG A 5 -11.735 17.327 -5.962 1.00 0.00 C ATOM 62 CG ARG A 5 -12.377 18.696 -5.782 1.00 0.00 C ATOM 63 CD ARG A 5 -13.406 18.867 -6.883 1.00 0.00 C ATOM 64 NE ARG A 5 -12.770 19.209 -8.164 1.00 0.00 N ATOM 65 CZ ARG A 5 -13.343 19.048 -9.357 1.00 0.00 C ATOM 66 NH1 ARG A 5 -14.565 18.537 -9.471 1.00 0.00 N ATOM 67 NH2 ARG A 5 -12.685 19.405 -10.455 1.00 0.00 N ATOM 0 H ARG A 5 -11.599 16.234 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 5 -10.338 16.017 -5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.285 17.266 -6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.505 16.557 -5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.848 18.772 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.624 19.482 -5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.979 17.946 -6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -14.112 19.650 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.826 19.596 -8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.082 18.260 -8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.986 18.422 -10.393 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.747 19.800 -10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.118 19.284 -11.371 1.00 0.00 H new ATOM 81 N PRO A 6 -8.405 17.757 -4.214 1.00 0.00 N ATOM 82 CA PRO A 6 -7.192 18.555 -4.276 1.00 0.00 C ATOM 83 C PRO A 6 -6.322 18.107 -5.452 1.00 0.00 C ATOM 84 O PRO A 6 -6.476 16.984 -5.939 1.00 0.00 O ATOM 85 CB PRO A 6 -6.488 18.303 -2.939 1.00 0.00 C ATOM 86 CG PRO A 6 -6.924 16.880 -2.577 1.00 0.00 C ATOM 87 CD PRO A 6 -8.361 16.833 -3.091 1.00 0.00 C ATOM 0 HA PRO A 6 -7.396 19.615 -4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.405 18.381 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.794 19.023 -2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.297 16.129 -3.057 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -6.871 16.700 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.633 15.824 -3.402 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.065 17.128 -2.313 1.00 0.00 H new ATOM 95 N PRO A 7 -5.408 18.969 -5.917 1.00 0.00 N ATOM 96 CA PRO A 7 -4.449 18.640 -6.958 1.00 0.00 C ATOM 97 C PRO A 7 -3.325 17.777 -6.383 1.00 0.00 C ATOM 98 O PRO A 7 -2.595 18.216 -5.495 1.00 0.00 O ATOM 99 CB PRO A 7 -3.912 19.992 -7.433 1.00 0.00 C ATOM 100 CG PRO A 7 -4.004 20.864 -6.175 1.00 0.00 C ATOM 101 CD PRO A 7 -5.247 20.338 -5.469 1.00 0.00 C ATOM 0 HA PRO A 7 -4.894 18.071 -7.774 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.887 19.914 -7.795 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.509 20.398 -8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.116 20.764 -5.551 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.101 21.921 -6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.130 20.384 -4.386 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.122 20.937 -5.721 1.00 0.00 H new ATOM 109 N PRO A 8 -3.178 16.542 -6.881 1.00 0.00 N ATOM 110 CA PRO A 8 -2.136 15.620 -6.475 1.00 0.00 C ATOM 111 C PRO A 8 -0.830 15.935 -7.207 1.00 0.00 C ATOM 112 O PRO A 8 -0.716 16.965 -7.872 1.00 0.00 O ATOM 113 CB PRO A 8 -2.675 14.252 -6.888 1.00 0.00 C ATOM 114 CG PRO A 8 -3.411 14.573 -8.186 1.00 0.00 C ATOM 115 CD PRO A 8 -4.033 15.934 -7.882 1.00 0.00 C ATOM 0 HA PRO A 8 -1.910 15.676 -5.410 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.874 13.529 -7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.342 13.833 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.732 14.618 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.167 13.824 -8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.084 16.550 -8.780 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.052 15.825 -7.512 1.00 0.00 H new ATOM 123 N ASP A 9 0.157 15.039 -7.085 1.00 0.00 N ATOM 124 CA ASP A 9 1.444 15.170 -7.750 1.00 0.00 C ATOM 125 C ASP A 9 1.809 13.841 -8.423 1.00 0.00 C ATOM 126 O ASP A 9 2.981 13.538 -8.628 1.00 0.00 O ATOM 127 CB ASP A 9 2.492 15.638 -6.740 1.00 0.00 C ATOM 128 CG ASP A 9 3.827 15.985 -7.399 1.00 0.00 C ATOM 129 OD1 ASP A 9 3.794 16.614 -8.484 1.00 0.00 O ATOM 130 OD2 ASP A 9 4.872 15.619 -6.817 1.00 0.00 O ATOM 0 H ASP A 9 0.076 14.197 -6.515 1.00 0.00 H new ATOM 0 HA ASP A 9 1.399 15.923 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.115 16.512 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.650 14.857 -5.997 1.00 0.00 H new ATOM 135 N VAL A 10 0.779 13.056 -8.761 1.00 0.00 N ATOM 136 CA VAL A 10 0.889 11.742 -9.396 1.00 0.00 C ATOM 137 C VAL A 10 1.624 11.788 -10.739 1.00 0.00 C ATOM 138 O VAL A 10 1.870 10.746 -11.341 1.00 0.00 O ATOM 139 CB VAL A 10 -0.508 11.150 -9.599 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.166 10.855 -8.252 1.00 0.00 C ATOM 141 CG2 VAL A 10 -1.405 12.101 -10.403 1.00 0.00 C ATOM 0 H VAL A 10 -0.189 13.331 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 10 1.478 11.114 -8.728 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.391 10.222 -10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.158 10.435 -8.416 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.557 10.141 -7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.253 11.779 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.390 11.652 -10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.503 13.046 -9.869 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.960 12.281 -11.381 1.00 0.00 H new ATOM 151 N GLU A 11 1.979 12.987 -11.214 1.00 0.00 N ATOM 152 CA GLU A 11 2.677 13.171 -12.482 1.00 0.00 C ATOM 153 C GLU A 11 4.178 13.353 -12.254 1.00 0.00 C ATOM 154 O GLU A 11 4.923 13.622 -13.197 1.00 0.00 O ATOM 155 CB GLU A 11 2.087 14.381 -13.211 1.00 0.00 C ATOM 156 CG GLU A 11 0.595 14.166 -13.457 1.00 0.00 C ATOM 157 CD GLU A 11 -0.003 15.318 -14.263 1.00 0.00 C ATOM 158 OE1 GLU A 11 -0.417 16.317 -13.633 1.00 0.00 O ATOM 159 OE2 GLU A 11 -0.042 15.193 -15.508 1.00 0.00 O ATOM 0 H GLU A 11 1.787 13.860 -10.723 1.00 0.00 H new ATOM 0 HA GLU A 11 2.543 12.281 -13.097 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.240 15.283 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.602 14.531 -14.160 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.443 13.228 -13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.075 14.078 -12.503 1.00 0.00 H new ATOM 166 N GLY A 12 4.627 13.202 -11.005 1.00 0.00 N ATOM 167 CA GLY A 12 6.020 13.356 -10.634 1.00 0.00 C ATOM 168 C GLY A 12 6.354 12.580 -9.359 1.00 0.00 C ATOM 169 O GLY A 12 7.374 12.854 -8.726 1.00 0.00 O ATOM 0 H GLY A 12 4.019 12.967 -10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.654 13.008 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.243 14.413 -10.486 1.00 0.00 H new ATOM 173 N MET A 13 5.504 11.616 -8.978 1.00 0.00 N ATOM 174 CA MET A 13 5.722 10.825 -7.776 1.00 0.00 C ATOM 175 C MET A 13 5.282 9.378 -7.990 1.00 0.00 C ATOM 176 O MET A 13 4.558 9.080 -8.941 1.00 0.00 O ATOM 177 CB MET A 13 4.965 11.475 -6.605 1.00 0.00 C ATOM 178 CG MET A 13 3.480 11.095 -6.625 1.00 0.00 C ATOM 179 SD MET A 13 2.451 12.066 -5.496 1.00 0.00 S ATOM 180 CE MET A 13 1.020 10.957 -5.377 1.00 0.00 C ATOM 0 H MET A 13 4.658 11.371 -9.493 1.00 0.00 H new ATOM 0 HA MET A 13 6.786 10.804 -7.542 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.411 11.161 -5.661 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.066 12.559 -6.660 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.099 11.215 -7.639 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.383 10.040 -6.370 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.109 11.515 -5.592 1.00 0.00 H new ATOM 0 HE2 MET A 13 1.128 10.146 -6.097 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.963 10.543 -4.370 1.00 0.00 H new ATOM 190 N THR A 14 5.712 8.468 -7.110 1.00 0.00 N ATOM 191 CA THR A 14 5.369 7.058 -7.213 1.00 0.00 C ATOM 192 C THR A 14 3.982 6.793 -6.648 1.00 0.00 C ATOM 193 O THR A 14 3.831 6.420 -5.484 1.00 0.00 O ATOM 194 CB THR A 14 6.381 6.186 -6.487 1.00 0.00 C ATOM 195 OG1 THR A 14 7.655 6.436 -7.030 1.00 0.00 O ATOM 196 CG2 THR A 14 6.024 4.711 -6.692 1.00 0.00 C ATOM 0 H THR A 14 6.305 8.693 -6.311 1.00 0.00 H new ATOM 0 HA THR A 14 5.381 6.803 -8.273 1.00 0.00 H new ATOM 0 HB THR A 14 6.374 6.413 -5.421 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.083 7.166 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.749 4.085 -6.172 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.028 4.519 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.041 4.477 -7.756 1.00 0.00 H new ATOM 203 N SER A 15 2.970 6.990 -7.489 1.00 0.00 N ATOM 204 CA SER A 15 1.584 6.706 -7.152 1.00 0.00 C ATOM 205 C SER A 15 1.421 5.196 -7.018 1.00 0.00 C ATOM 206 O SER A 15 1.252 4.501 -8.019 1.00 0.00 O ATOM 207 CB SER A 15 0.667 7.280 -8.231 1.00 0.00 C ATOM 208 OG SER A 15 -0.682 7.118 -7.848 1.00 0.00 O ATOM 0 H SER A 15 3.094 7.355 -8.433 1.00 0.00 H new ATOM 0 HA SER A 15 1.310 7.173 -6.206 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.887 8.337 -8.384 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.848 6.776 -9.181 1.00 0.00 H new ATOM 0 HG SER A 15 -0.732 6.978 -6.879 1.00 0.00 H new ATOM 214 N LEU A 16 1.473 4.684 -5.785 1.00 0.00 N ATOM 215 CA LEU A 16 1.413 3.242 -5.551 1.00 0.00 C ATOM 216 C LEU A 16 0.160 2.897 -4.756 1.00 0.00 C ATOM 217 O LEU A 16 -0.073 3.435 -3.676 1.00 0.00 O ATOM 218 CB LEU A 16 2.725 2.801 -4.899 1.00 0.00 C ATOM 219 CG LEU A 16 2.833 1.344 -4.422 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.066 1.097 -3.128 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.374 0.373 -5.499 1.00 0.00 C ATOM 0 H LEU A 16 1.556 5.246 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 16 1.323 2.684 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.530 2.981 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.907 3.449 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 16 3.889 1.166 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.175 0.053 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.463 1.738 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.011 1.323 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.463 -0.649 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.334 0.577 -5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.995 0.493 -6.386 1.00 0.00 H new ATOM 233 N LYS A 17 -0.643 1.987 -5.318 1.00 0.00 N ATOM 234 CA LYS A 17 -2.005 1.690 -4.893 1.00 0.00 C ATOM 235 C LYS A 17 -2.137 0.415 -4.079 1.00 0.00 C ATOM 236 O LYS A 17 -1.412 -0.552 -4.298 1.00 0.00 O ATOM 237 CB LYS A 17 -2.863 1.613 -6.163 1.00 0.00 C ATOM 238 CG LYS A 17 -4.219 0.924 -5.987 1.00 0.00 C ATOM 239 CD LYS A 17 -4.797 0.539 -7.347 1.00 0.00 C ATOM 240 CE LYS A 17 -4.328 -0.849 -7.800 1.00 0.00 C ATOM 241 NZ LYS A 17 -2.899 -0.899 -8.157 1.00 0.00 N ATOM 0 H LYS A 17 -0.346 1.419 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.338 2.481 -4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.032 2.625 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.300 1.084 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.105 0.034 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.908 1.589 -5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.886 0.555 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.502 1.281 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.521 -1.567 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.920 -1.161 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.690 -1.803 -8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.674 -0.114 -8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.323 -0.815 -7.295 1.00 0.00 H new ATOM 255 N VAL A 18 -3.088 0.437 -3.137 1.00 0.00 N ATOM 256 CA VAL A 18 -3.432 -0.746 -2.342 1.00 0.00 C ATOM 257 C VAL A 18 -4.921 -1.049 -2.465 1.00 0.00 C ATOM 258 O VAL A 18 -5.722 -0.123 -2.588 1.00 0.00 O ATOM 259 CB VAL A 18 -3.105 -0.538 -0.855 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.420 -1.804 -0.058 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.640 -0.173 -0.623 1.00 0.00 C ATOM 0 H VAL A 18 -3.635 1.267 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.841 -1.577 -2.727 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.725 0.293 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.183 -1.641 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.479 -2.043 -0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.823 -2.632 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.463 -0.037 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.002 -0.973 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.408 0.753 -1.150 1.00 0.00 H new ATOM 271 N ASP A 19 -5.265 -2.343 -2.430 1.00 0.00 N ATOM 272 CA ASP A 19 -6.635 -2.849 -2.486 1.00 0.00 C ATOM 273 C ASP A 19 -6.742 -4.191 -1.751 1.00 0.00 C ATOM 274 O ASP A 19 -5.797 -4.624 -1.090 1.00 0.00 O ATOM 275 CB ASP A 19 -7.050 -3.045 -3.946 1.00 0.00 C ATOM 276 CG ASP A 19 -7.166 -1.728 -4.704 1.00 0.00 C ATOM 277 OD1 ASP A 19 -8.095 -0.956 -4.385 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.319 -1.511 -5.599 1.00 0.00 O ATOM 0 H ASP A 19 -4.572 -3.088 -2.360 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.293 -2.125 -2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.321 -3.684 -4.444 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.007 -3.566 -3.981 1.00 0.00 H new ATOM 283 N ASN A 20 -7.901 -4.854 -1.873 1.00 0.00 N ATOM 284 CA ASN A 20 -8.151 -6.209 -1.385 1.00 0.00 C ATOM 285 C ASN A 20 -8.488 -6.260 0.110 1.00 0.00 C ATOM 286 O ASN A 20 -8.081 -7.184 0.816 1.00 0.00 O ATOM 287 CB ASN A 20 -7.005 -7.149 -1.789 1.00 0.00 C ATOM 288 CG ASN A 20 -7.513 -8.357 -2.559 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.235 -8.218 -3.542 1.00 0.00 O ATOM 290 ND2 ASN A 20 -7.136 -9.550 -2.118 1.00 0.00 N ATOM 0 H ASN A 20 -8.715 -4.444 -2.330 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.054 -6.574 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.286 -6.604 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.476 -7.483 -0.896 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.447 -10.394 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.535 -9.624 -1.297 1.00 0.00 H new ATOM 297 N LEU A 21 -9.240 -5.266 0.592 1.00 0.00 N ATOM 298 CA LEU A 21 -9.737 -5.200 1.956 1.00 0.00 C ATOM 299 C LEU A 21 -10.691 -6.368 2.203 1.00 0.00 C ATOM 300 O LEU A 21 -11.012 -7.133 1.290 1.00 0.00 O ATOM 301 CB LEU A 21 -10.505 -3.884 2.155 1.00 0.00 C ATOM 302 CG LEU A 21 -9.660 -2.604 2.215 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.276 -2.316 3.661 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.376 -2.648 1.388 1.00 0.00 C ATOM 0 H LEU A 21 -9.523 -4.468 0.024 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.898 -5.250 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.224 -3.781 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.078 -3.959 3.079 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.288 -1.823 1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.676 -1.407 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.179 -2.183 4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.698 -3.151 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.844 -1.702 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.742 -3.461 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.624 -2.813 0.339 1.00 0.00 H new ATOM 316 N THR A 22 -11.153 -6.499 3.444 1.00 0.00 N ATOM 317 CA THR A 22 -12.061 -7.544 3.858 1.00 0.00 C ATOM 318 C THR A 22 -13.247 -6.922 4.593 1.00 0.00 C ATOM 319 O THR A 22 -13.205 -5.748 4.953 1.00 0.00 O ATOM 320 CB THR A 22 -11.283 -8.494 4.768 1.00 0.00 C ATOM 321 OG1 THR A 22 -9.998 -8.763 4.243 1.00 0.00 O ATOM 322 CG2 THR A 22 -11.998 -9.820 4.929 1.00 0.00 C ATOM 0 H THR A 22 -10.896 -5.864 4.199 1.00 0.00 H new ATOM 0 HA THR A 22 -12.452 -8.095 3.003 1.00 0.00 H new ATOM 0 HB THR A 22 -11.202 -7.996 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.582 -9.489 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.416 -10.470 5.582 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.982 -9.652 5.367 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.111 -10.293 3.954 1.00 0.00 H new ATOM 329 N TYR A 23 -14.307 -7.702 4.825 1.00 0.00 N ATOM 330 CA TYR A 23 -15.478 -7.264 5.572 1.00 0.00 C ATOM 331 C TYR A 23 -15.154 -6.947 7.037 1.00 0.00 C ATOM 332 O TYR A 23 -16.056 -6.649 7.818 1.00 0.00 O ATOM 333 CB TYR A 23 -16.561 -8.340 5.491 1.00 0.00 C ATOM 334 CG TYR A 23 -16.225 -9.616 6.241 1.00 0.00 C ATOM 335 CD1 TYR A 23 -15.477 -10.622 5.613 1.00 0.00 C ATOM 336 CD2 TYR A 23 -16.664 -9.785 7.562 1.00 0.00 C ATOM 337 CE1 TYR A 23 -15.170 -11.803 6.303 1.00 0.00 C ATOM 338 CE2 TYR A 23 -16.359 -10.960 8.258 1.00 0.00 C ATOM 339 CZ TYR A 23 -15.610 -11.978 7.632 1.00 0.00 C ATOM 340 OH TYR A 23 -15.311 -13.128 8.302 1.00 0.00 O ATOM 0 H TYR A 23 -14.372 -8.665 4.494 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.834 -6.338 5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -17.492 -7.934 5.886 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.739 -8.583 4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.137 -10.487 4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -17.238 -9.007 8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.597 -12.579 5.817 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -16.698 -11.087 9.276 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.687 -13.087 9.206 1.00 0.00 H new ATOM 350 N ARG A 24 -13.871 -7.010 7.403 1.00 0.00 N ATOM 351 CA ARG A 24 -13.381 -6.788 8.757 1.00 0.00 C ATOM 352 C ARG A 24 -12.237 -5.768 8.746 1.00 0.00 C ATOM 353 O ARG A 24 -11.462 -5.687 9.696 1.00 0.00 O ATOM 354 CB ARG A 24 -12.951 -8.133 9.349 1.00 0.00 C ATOM 355 CG ARG A 24 -11.813 -8.752 8.530 1.00 0.00 C ATOM 356 CD ARG A 24 -11.571 -10.207 8.924 1.00 0.00 C ATOM 357 NE ARG A 24 -11.137 -10.330 10.318 1.00 0.00 N ATOM 358 CZ ARG A 24 -10.745 -11.477 10.876 1.00 0.00 C ATOM 359 NH1 ARG A 24 -10.736 -12.607 10.177 1.00 0.00 N ATOM 360 NH2 ARG A 24 -10.364 -11.496 12.150 1.00 0.00 N ATOM 0 H ARG A 24 -13.125 -7.224 6.741 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.169 -6.371 9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -12.628 -7.994 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.802 -8.814 9.370 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.054 -8.696 7.469 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.900 -8.176 8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.486 -10.780 8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.815 -10.640 8.269 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.134 -9.489 10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.031 -12.605 9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.434 -13.476 10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.372 -10.635 12.698 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.064 -12.371 12.580 1.00 0.00 H new ATOM 374 N THR A 25 -12.145 -4.993 7.662 1.00 0.00 N ATOM 375 CA THR A 25 -11.125 -3.965 7.484 1.00 0.00 C ATOM 376 C THR A 25 -11.792 -2.656 7.068 1.00 0.00 C ATOM 377 O THR A 25 -12.941 -2.657 6.640 1.00 0.00 O ATOM 378 CB THR A 25 -10.092 -4.426 6.446 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.854 -5.812 6.576 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.762 -3.710 6.647 1.00 0.00 C ATOM 0 H THR A 25 -12.788 -5.066 6.874 1.00 0.00 H new ATOM 0 HA THR A 25 -10.599 -3.797 8.424 1.00 0.00 H new ATOM 0 HB THR A 25 -10.496 -4.195 5.460 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.195 -6.095 5.908 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.047 -4.054 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.908 -2.635 6.542 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.378 -3.928 7.644 1.00 0.00 H new ATOM 387 N SER A 26 -11.075 -1.533 7.193 1.00 0.00 N ATOM 388 CA SER A 26 -11.624 -0.202 6.945 1.00 0.00 C ATOM 389 C SER A 26 -10.529 0.718 6.409 1.00 0.00 C ATOM 390 O SER A 26 -9.346 0.387 6.513 1.00 0.00 O ATOM 391 CB SER A 26 -12.165 0.332 8.271 1.00 0.00 C ATOM 392 OG SER A 26 -11.106 0.502 9.190 1.00 0.00 O ATOM 0 H SER A 26 -10.093 -1.526 7.470 1.00 0.00 H new ATOM 0 HA SER A 26 -12.422 -0.246 6.204 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.674 1.282 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.903 -0.360 8.677 1.00 0.00 H new ATOM 0 HG SER A 26 -11.460 0.846 10.037 1.00 0.00 H new ATOM 398 N PRO A 27 -10.885 1.875 5.832 1.00 0.00 N ATOM 399 CA PRO A 27 -9.903 2.786 5.278 1.00 0.00 C ATOM 400 C PRO A 27 -9.058 3.432 6.375 1.00 0.00 C ATOM 401 O PRO A 27 -7.911 3.792 6.126 1.00 0.00 O ATOM 402 CB PRO A 27 -10.717 3.834 4.510 1.00 0.00 C ATOM 403 CG PRO A 27 -12.064 3.833 5.230 1.00 0.00 C ATOM 404 CD PRO A 27 -12.232 2.382 5.653 1.00 0.00 C ATOM 0 HA PRO A 27 -9.195 2.269 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.243 4.815 4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.823 3.569 3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.062 4.505 6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.872 4.157 4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.806 2.306 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.769 1.811 4.895 1.00 0.00 H new ATOM 412 N ASP A 28 -9.591 3.585 7.590 1.00 0.00 N ATOM 413 CA ASP A 28 -8.811 4.154 8.681 1.00 0.00 C ATOM 414 C ASP A 28 -7.698 3.189 9.073 1.00 0.00 C ATOM 415 O ASP A 28 -6.618 3.617 9.484 1.00 0.00 O ATOM 416 CB ASP A 28 -9.703 4.423 9.889 1.00 0.00 C ATOM 417 CG ASP A 28 -8.945 5.191 10.967 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.657 6.386 10.730 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.657 4.578 12.021 1.00 0.00 O ATOM 0 H ASP A 28 -10.546 3.326 7.837 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.377 5.097 8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.579 4.993 9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.065 3.479 10.296 1.00 0.00 H new ATOM 424 N THR A 29 -7.957 1.886 8.942 1.00 0.00 N ATOM 425 CA THR A 29 -6.949 0.888 9.257 1.00 0.00 C ATOM 426 C THR A 29 -5.909 0.881 8.151 1.00 0.00 C ATOM 427 O THR A 29 -4.715 0.841 8.422 1.00 0.00 O ATOM 428 CB THR A 29 -7.591 -0.492 9.378 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.515 -0.502 10.444 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.512 -1.538 9.649 1.00 0.00 C ATOM 0 H THR A 29 -8.848 1.506 8.623 1.00 0.00 H new ATOM 0 HA THR A 29 -6.477 1.132 10.209 1.00 0.00 H new ATOM 0 HB THR A 29 -8.106 -0.723 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.386 -0.187 10.125 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.973 -2.522 9.735 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.796 -1.543 8.827 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.996 -1.296 10.578 1.00 0.00 H new ATOM 437 N LEU A 30 -6.348 0.926 6.894 1.00 0.00 N ATOM 438 CA LEU A 30 -5.424 0.918 5.773 1.00 0.00 C ATOM 439 C LEU A 30 -4.480 2.114 5.832 1.00 0.00 C ATOM 440 O LEU A 30 -3.413 2.087 5.225 1.00 0.00 O ATOM 441 CB LEU A 30 -6.233 0.919 4.476 1.00 0.00 C ATOM 442 CG LEU A 30 -6.011 -0.335 3.624 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.619 -0.325 3.003 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.164 -1.616 4.448 1.00 0.00 C ATOM 0 H LEU A 30 -7.333 0.968 6.632 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.805 0.022 5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.293 1.004 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.968 1.799 3.891 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.771 -0.322 2.843 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.482 -1.224 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.510 0.555 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.868 -0.299 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.999 -2.482 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.433 -1.618 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.169 -1.661 4.867 1.00 0.00 H new ATOM 456 N ARG A 31 -4.866 3.166 6.564 1.00 0.00 N ATOM 457 CA ARG A 31 -4.034 4.343 6.697 1.00 0.00 C ATOM 458 C ARG A 31 -2.956 4.053 7.733 1.00 0.00 C ATOM 459 O ARG A 31 -1.772 4.177 7.439 1.00 0.00 O ATOM 460 CB ARG A 31 -4.897 5.533 7.139 1.00 0.00 C ATOM 461 CG ARG A 31 -4.365 6.892 6.661 1.00 0.00 C ATOM 462 CD ARG A 31 -2.852 7.062 6.821 1.00 0.00 C ATOM 463 NE ARG A 31 -2.432 8.418 6.437 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.488 9.487 7.239 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.940 9.390 8.487 1.00 0.00 N ATOM 466 NH2 ARG A 31 -2.088 10.666 6.781 1.00 0.00 N ATOM 0 H ARG A 31 -5.751 3.215 7.069 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.567 4.591 5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.910 5.396 6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.961 5.540 8.227 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.626 7.023 5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.869 7.683 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.568 6.868 7.855 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.333 6.328 6.205 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.072 8.553 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.252 8.488 8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.975 10.217 9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.742 10.751 5.825 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.127 11.487 7.385 1.00 0.00 H new ATOM 480 N ARG A 32 -3.362 3.668 8.942 1.00 0.00 N ATOM 481 CA ARG A 32 -2.442 3.446 10.058 1.00 0.00 C ATOM 482 C ARG A 32 -1.588 2.193 9.862 1.00 0.00 C ATOM 483 O ARG A 32 -0.667 1.957 10.641 1.00 0.00 O ATOM 484 CB ARG A 32 -3.261 3.411 11.354 1.00 0.00 C ATOM 485 CG ARG A 32 -4.173 2.186 11.485 1.00 0.00 C ATOM 486 CD ARG A 32 -3.492 0.975 12.128 1.00 0.00 C ATOM 487 NE ARG A 32 -3.271 1.188 13.568 1.00 0.00 N ATOM 488 CZ ARG A 32 -2.090 1.431 14.142 1.00 0.00 C ATOM 489 NH1 ARG A 32 -0.974 1.528 13.426 1.00 0.00 N ATOM 490 NH2 ARG A 32 -2.023 1.582 15.461 1.00 0.00 N ATOM 0 H ARG A 32 -4.341 3.501 9.176 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.725 4.265 10.112 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.578 3.435 12.203 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.871 4.313 11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.047 2.457 12.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.533 1.905 10.495 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.107 0.088 11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.538 0.787 11.635 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.088 1.147 14.178 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.007 1.416 12.413 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.085 1.714 13.890 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.869 1.512 16.026 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.125 1.768 15.908 1.00 0.00 H new ATOM 504 N VAL A 33 -1.888 1.393 8.834 1.00 0.00 N ATOM 505 CA VAL A 33 -1.160 0.163 8.544 1.00 0.00 C ATOM 506 C VAL A 33 -0.154 0.347 7.413 1.00 0.00 C ATOM 507 O VAL A 33 0.886 -0.305 7.419 1.00 0.00 O ATOM 508 CB VAL A 33 -2.171 -0.925 8.173 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.486 -2.187 7.659 1.00 0.00 C ATOM 510 CG2 VAL A 33 -2.994 -1.296 9.404 1.00 0.00 C ATOM 0 H VAL A 33 -2.646 1.585 8.180 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.595 -0.123 9.431 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.805 -0.525 7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.240 -2.933 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.901 -1.948 6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.827 -2.583 8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.714 -2.071 9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.332 -1.667 10.186 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.525 -0.415 9.766 1.00 0.00 H new ATOM 520 N PHE A 34 -0.438 1.220 6.443 1.00 0.00 N ATOM 521 CA PHE A 34 0.489 1.498 5.355 1.00 0.00 C ATOM 522 C PHE A 34 1.236 2.816 5.574 1.00 0.00 C ATOM 523 O PHE A 34 2.181 3.113 4.852 1.00 0.00 O ATOM 524 CB PHE A 34 -0.282 1.472 4.035 1.00 0.00 C ATOM 525 CG PHE A 34 -0.443 0.080 3.455 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.452 -0.774 3.934 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.414 -0.365 2.436 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.606 -2.055 3.380 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.259 -1.645 1.884 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.755 -2.491 2.353 1.00 0.00 C ATOM 0 H PHE A 34 -1.310 1.747 6.394 1.00 0.00 H new ATOM 0 HA PHE A 34 1.259 0.727 5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.269 1.908 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.234 2.102 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.108 -0.445 4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.199 0.283 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.384 -2.708 3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.921 -1.978 1.098 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.881 -3.475 1.926 1.00 0.00 H new ATOM 540 N GLU A 35 0.831 3.614 6.563 1.00 0.00 N ATOM 541 CA GLU A 35 1.525 4.852 6.893 1.00 0.00 C ATOM 542 C GLU A 35 2.863 4.577 7.584 1.00 0.00 C ATOM 543 O GLU A 35 3.786 5.381 7.471 1.00 0.00 O ATOM 544 CB GLU A 35 0.615 5.693 7.800 1.00 0.00 C ATOM 545 CG GLU A 35 1.315 6.938 8.335 1.00 0.00 C ATOM 546 CD GLU A 35 0.345 7.856 9.074 1.00 0.00 C ATOM 547 OE1 GLU A 35 -0.411 7.338 9.925 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.370 9.074 8.787 1.00 0.00 O ATOM 0 H GLU A 35 0.020 3.420 7.151 1.00 0.00 H new ATOM 0 HA GLU A 35 1.745 5.395 5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.273 5.991 7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.277 5.082 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.120 6.642 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.773 7.482 7.509 1.00 0.00 H new ATOM 555 N LYS A 36 2.978 3.450 8.296 1.00 0.00 N ATOM 556 CA LYS A 36 4.200 3.140 9.033 1.00 0.00 C ATOM 557 C LYS A 36 5.382 2.882 8.106 1.00 0.00 C ATOM 558 O LYS A 36 6.531 3.023 8.517 1.00 0.00 O ATOM 559 CB LYS A 36 3.967 1.937 9.950 1.00 0.00 C ATOM 560 CG LYS A 36 3.654 0.659 9.175 1.00 0.00 C ATOM 561 CD LYS A 36 3.383 -0.477 10.160 1.00 0.00 C ATOM 562 CE LYS A 36 3.088 -1.777 9.407 1.00 0.00 C ATOM 563 NZ LYS A 36 2.838 -2.889 10.345 1.00 0.00 N ATOM 0 H LYS A 36 2.245 2.746 8.375 1.00 0.00 H new ATOM 0 HA LYS A 36 4.451 4.013 9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.853 1.777 10.565 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.143 2.157 10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.787 0.813 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.490 0.400 8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.245 -0.615 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.538 -0.219 10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.220 -1.639 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.929 -2.025 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.641 -3.758 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.677 -3.034 10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.020 -2.660 10.945 1.00 0.00 H new ATOM 577 N TYR A 37 5.101 2.503 6.858 1.00 0.00 N ATOM 578 CA TYR A 37 6.135 2.276 5.859 1.00 0.00 C ATOM 579 C TYR A 37 6.756 3.593 5.406 1.00 0.00 C ATOM 580 O TYR A 37 7.863 3.586 4.873 1.00 0.00 O ATOM 581 CB TYR A 37 5.547 1.517 4.670 1.00 0.00 C ATOM 582 CG TYR A 37 5.159 0.100 5.026 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.957 -0.150 5.703 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.005 -0.963 4.683 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.608 -1.459 6.058 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.658 -2.278 5.025 1.00 0.00 C ATOM 587 CZ TYR A 37 4.461 -2.532 5.729 1.00 0.00 C ATOM 588 OH TYR A 37 4.141 -3.809 6.083 1.00 0.00 O ATOM 0 H TYR A 37 4.153 2.347 6.517 1.00 0.00 H new ATOM 0 HA TYR A 37 6.926 1.674 6.306 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.670 2.049 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.274 1.499 3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.298 0.669 5.951 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.926 -0.769 4.154 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.684 -1.647 6.585 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.307 -3.097 4.750 1.00 0.00 H new ATOM 0 HH TYR A 37 4.842 -4.420 5.774 1.00 0.00 H new ATOM 598 N GLY A 38 6.058 4.718 5.613 1.00 0.00 N ATOM 599 CA GLY A 38 6.603 6.034 5.298 1.00 0.00 C ATOM 600 C GLY A 38 5.522 7.107 5.344 1.00 0.00 C ATOM 601 O GLY A 38 5.376 7.798 6.348 1.00 0.00 O ATOM 0 H GLY A 38 5.114 4.737 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.394 6.281 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.057 6.014 4.307 1.00 0.00 H new ATOM 605 N ARG A 39 4.764 7.241 4.250 1.00 0.00 N ATOM 606 CA ARG A 39 3.651 8.178 4.159 1.00 0.00 C ATOM 607 C ARG A 39 2.701 7.765 3.043 1.00 0.00 C ATOM 608 O ARG A 39 3.078 7.013 2.148 1.00 0.00 O ATOM 609 CB ARG A 39 4.178 9.603 3.941 1.00 0.00 C ATOM 610 CG ARG A 39 5.146 9.686 2.762 1.00 0.00 C ATOM 611 CD ARG A 39 5.475 11.151 2.462 1.00 0.00 C ATOM 612 NE ARG A 39 6.278 11.744 3.538 1.00 0.00 N ATOM 613 CZ ARG A 39 7.612 11.688 3.598 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.319 11.081 2.647 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.247 12.245 4.624 1.00 0.00 N ATOM 0 H ARG A 39 4.911 6.696 3.400 1.00 0.00 H new ATOM 0 HA ARG A 39 3.094 8.161 5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.339 10.276 3.768 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.680 9.945 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.060 9.138 2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.704 9.216 1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.018 11.219 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.551 11.717 2.340 1.00 0.00 H new ATOM 0 HE ARG A 39 5.786 12.230 4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.843 10.648 1.855 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.337 11.049 2.710 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.716 12.712 5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.265 12.206 4.676 1.00 0.00 H new ATOM 629 N VAL A 40 1.466 8.269 3.107 1.00 0.00 N ATOM 630 CA VAL A 40 0.426 7.959 2.136 1.00 0.00 C ATOM 631 C VAL A 40 -0.306 9.253 1.805 1.00 0.00 C ATOM 632 O VAL A 40 -0.500 10.089 2.685 1.00 0.00 O ATOM 633 CB VAL A 40 -0.554 6.930 2.716 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.464 6.405 1.608 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.173 5.724 3.312 1.00 0.00 C ATOM 0 H VAL A 40 1.162 8.908 3.842 1.00 0.00 H new ATOM 0 HA VAL A 40 0.867 7.532 1.235 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.121 7.436 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.159 5.675 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.025 7.233 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.859 5.932 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.557 5.020 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.762 5.235 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.833 6.056 4.113 1.00 0.00 H new ATOM 645 N GLY A 41 -0.716 9.430 0.547 1.00 0.00 N ATOM 646 CA GLY A 41 -1.402 10.643 0.120 1.00 0.00 C ATOM 647 C GLY A 41 -2.902 10.434 -0.033 1.00 0.00 C ATOM 648 O GLY A 41 -3.650 11.406 -0.105 1.00 0.00 O ATOM 0 H GLY A 41 -0.582 8.742 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.220 11.436 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.985 10.978 -0.830 1.00 0.00 H new ATOM 652 N ASP A 42 -3.349 9.179 -0.078 1.00 0.00 N ATOM 653 CA ASP A 42 -4.770 8.879 -0.171 1.00 0.00 C ATOM 654 C ASP A 42 -5.060 7.499 0.410 1.00 0.00 C ATOM 655 O ASP A 42 -4.252 6.592 0.235 1.00 0.00 O ATOM 656 CB ASP A 42 -5.165 8.929 -1.652 1.00 0.00 C ATOM 657 CG ASP A 42 -6.664 8.804 -1.907 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.415 8.582 -0.934 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.054 8.933 -3.088 1.00 0.00 O ATOM 0 H ASP A 42 -2.745 8.357 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.348 9.607 0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.813 9.868 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.650 8.127 -2.180 1.00 0.00 H new ATOM 664 N VAL A 43 -6.198 7.354 1.093 1.00 0.00 N ATOM 665 CA VAL A 43 -6.708 6.085 1.607 1.00 0.00 C ATOM 666 C VAL A 43 -8.228 6.202 1.718 1.00 0.00 C ATOM 667 O VAL A 43 -8.723 6.718 2.722 1.00 0.00 O ATOM 668 CB VAL A 43 -6.140 5.766 3.008 1.00 0.00 C ATOM 669 CG1 VAL A 43 -6.634 4.396 3.466 1.00 0.00 C ATOM 670 CG2 VAL A 43 -4.619 5.767 3.066 1.00 0.00 C ATOM 0 H VAL A 43 -6.808 8.143 1.309 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.408 5.286 0.929 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.495 6.561 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.231 4.176 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.723 4.398 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.301 3.635 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.293 5.535 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.228 5.016 2.379 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.245 6.750 2.780 1.00 0.00 H new ATOM 680 N TYR A 44 -8.991 5.741 0.720 1.00 0.00 N ATOM 681 CA TYR A 44 -10.441 5.810 0.845 1.00 0.00 C ATOM 682 C TYR A 44 -11.204 4.733 0.069 1.00 0.00 C ATOM 683 O TYR A 44 -10.663 4.073 -0.821 1.00 0.00 O ATOM 684 CB TYR A 44 -10.922 7.238 0.550 1.00 0.00 C ATOM 685 CG TYR A 44 -11.416 7.579 -0.839 1.00 0.00 C ATOM 686 CD1 TYR A 44 -10.890 6.988 -2.000 1.00 0.00 C ATOM 687 CD2 TYR A 44 -12.439 8.535 -0.941 1.00 0.00 C ATOM 688 CE1 TYR A 44 -11.428 7.320 -3.252 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.948 8.903 -2.192 1.00 0.00 C ATOM 690 CZ TYR A 44 -12.449 8.281 -3.355 1.00 0.00 C ATOM 691 OH TYR A 44 -12.950 8.616 -4.575 1.00 0.00 O ATOM 0 H TYR A 44 -8.642 5.333 -0.147 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.683 5.573 1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.727 7.464 1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.100 7.915 0.781 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.076 6.282 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.837 8.991 -0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.056 6.835 -4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -13.717 9.658 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 44 -12.829 7.867 -5.195 1.00 0.00 H new ATOM 701 N ILE A 45 -12.479 4.570 0.437 1.00 0.00 N ATOM 702 CA ILE A 45 -13.398 3.599 -0.146 1.00 0.00 C ATOM 703 C ILE A 45 -14.105 4.289 -1.312 1.00 0.00 C ATOM 704 O ILE A 45 -14.917 5.188 -1.093 1.00 0.00 O ATOM 705 CB ILE A 45 -14.395 3.131 0.927 1.00 0.00 C ATOM 706 CG1 ILE A 45 -13.675 2.741 2.225 1.00 0.00 C ATOM 707 CG2 ILE A 45 -15.200 1.924 0.446 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.738 1.551 2.031 1.00 0.00 C ATOM 0 H ILE A 45 -12.909 5.130 1.173 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.875 2.715 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.065 3.970 1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -13.104 3.594 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -14.414 2.499 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.896 1.616 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.757 2.192 -0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.522 1.101 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.252 1.313 2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.311 0.689 1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.982 1.801 1.287 1.00 0.00 H new ATOM 720 N PRO A 46 -13.805 3.882 -2.552 1.00 0.00 N ATOM 721 CA PRO A 46 -14.198 4.609 -3.748 1.00 0.00 C ATOM 722 C PRO A 46 -15.670 4.457 -4.133 1.00 0.00 C ATOM 723 O PRO A 46 -16.297 5.442 -4.520 1.00 0.00 O ATOM 724 CB PRO A 46 -13.305 4.031 -4.838 1.00 0.00 C ATOM 725 CG PRO A 46 -13.070 2.587 -4.398 1.00 0.00 C ATOM 726 CD PRO A 46 -13.013 2.706 -2.879 1.00 0.00 C ATOM 0 HA PRO A 46 -14.082 5.681 -3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -13.787 4.077 -5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.367 4.581 -4.919 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.875 1.928 -4.723 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.144 2.184 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.418 1.814 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.986 2.816 -2.532 1.00 0.00 H new ATOM 734 N ARG A 47 -16.244 3.252 -4.045 1.00 0.00 N ATOM 735 CA ARG A 47 -17.622 3.050 -4.472 1.00 0.00 C ATOM 736 C ARG A 47 -18.577 3.471 -3.363 1.00 0.00 C ATOM 737 O ARG A 47 -18.158 3.654 -2.220 1.00 0.00 O ATOM 738 CB ARG A 47 -17.859 1.587 -4.862 1.00 0.00 C ATOM 739 CG ARG A 47 -17.386 1.276 -6.288 1.00 0.00 C ATOM 740 CD ARG A 47 -15.889 1.527 -6.463 1.00 0.00 C ATOM 741 NE ARG A 47 -15.393 1.091 -7.773 1.00 0.00 N ATOM 742 CZ ARG A 47 -15.348 1.867 -8.861 1.00 0.00 C ATOM 743 NH1 ARG A 47 -15.862 3.094 -8.850 1.00 0.00 N ATOM 744 NH2 ARG A 47 -14.783 1.412 -9.973 1.00 0.00 N ATOM 0 H ARG A 47 -15.780 2.417 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.810 3.668 -5.350 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.337 0.938 -4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.922 1.359 -4.777 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.609 0.236 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.942 1.891 -6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.686 2.590 -6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -15.342 1.003 -5.679 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.060 0.131 -7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.299 3.456 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.819 3.672 -9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.385 0.473 -9.996 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.747 2.001 -10.805 1.00 0.00 H new ATOM 758 N ASP A 48 -19.860 3.623 -3.707 1.00 0.00 N ATOM 759 CA ASP A 48 -20.904 3.948 -2.750 1.00 0.00 C ATOM 760 C ASP A 48 -20.535 5.154 -1.885 1.00 0.00 C ATOM 761 O ASP A 48 -20.692 5.126 -0.662 1.00 0.00 O ATOM 762 CB ASP A 48 -21.193 2.693 -1.933 1.00 0.00 C ATOM 763 CG ASP A 48 -21.738 1.578 -2.825 1.00 0.00 C ATOM 764 OD1 ASP A 48 -22.775 1.813 -3.487 1.00 0.00 O ATOM 765 OD2 ASP A 48 -21.114 0.495 -2.843 1.00 0.00 O ATOM 0 H ASP A 48 -20.198 3.522 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.812 4.252 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -20.281 2.357 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.914 2.922 -1.148 1.00 0.00 H new ATOM 770 N ARG A 49 -20.043 6.216 -2.532 1.00 0.00 N ATOM 771 CA ARG A 49 -19.540 7.430 -1.898 1.00 0.00 C ATOM 772 C ARG A 49 -20.526 8.118 -0.934 1.00 0.00 C ATOM 773 O ARG A 49 -20.151 9.098 -0.291 1.00 0.00 O ATOM 774 CB ARG A 49 -19.057 8.381 -3.011 1.00 0.00 C ATOM 775 CG ARG A 49 -20.205 9.210 -3.561 1.00 0.00 C ATOM 776 CD ARG A 49 -19.801 10.039 -4.778 1.00 0.00 C ATOM 777 NE ARG A 49 -20.916 10.890 -5.209 1.00 0.00 N ATOM 778 CZ ARG A 49 -20.783 12.003 -5.937 1.00 0.00 C ATOM 779 NH1 ARG A 49 -19.599 12.397 -6.377 1.00 0.00 N ATOM 780 NH2 ARG A 49 -21.855 12.733 -6.234 1.00 0.00 N ATOM 0 H ARG A 49 -19.984 6.250 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.715 7.146 -1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -18.283 9.041 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.604 7.803 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.028 8.549 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.575 9.874 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -18.936 10.657 -4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.502 9.379 -5.593 1.00 0.00 H new ATOM 0 HE ARG A 49 -21.858 10.613 -4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.767 11.848 -6.162 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.519 13.250 -6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -22.776 12.443 -5.906 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.755 13.583 -6.789 1.00 0.00 H new ATOM 794 N TYR A 50 -21.767 7.628 -0.820 1.00 0.00 N ATOM 795 CA TYR A 50 -22.778 8.187 0.077 1.00 0.00 C ATOM 796 C TYR A 50 -23.717 7.116 0.640 1.00 0.00 C ATOM 797 O TYR A 50 -24.697 7.449 1.304 1.00 0.00 O ATOM 798 CB TYR A 50 -23.587 9.253 -0.673 1.00 0.00 C ATOM 799 CG TYR A 50 -24.030 8.783 -2.039 1.00 0.00 C ATOM 800 CD1 TYR A 50 -25.144 7.947 -2.187 1.00 0.00 C ATOM 801 CD2 TYR A 50 -23.290 9.173 -3.155 1.00 0.00 C ATOM 802 CE1 TYR A 50 -25.467 7.441 -3.454 1.00 0.00 C ATOM 803 CE2 TYR A 50 -23.563 8.627 -4.414 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.665 7.759 -4.569 1.00 0.00 C ATOM 805 OH TYR A 50 -24.956 7.229 -5.791 1.00 0.00 O ATOM 0 H TYR A 50 -22.097 6.825 -1.354 1.00 0.00 H new ATOM 0 HA TYR A 50 -22.259 8.633 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -24.463 9.523 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -22.984 10.155 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -25.751 7.694 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -22.500 9.902 -3.047 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -26.332 6.806 -3.576 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -22.936 8.868 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 50 -25.921 7.075 -5.859 1.00 0.00 H new ATOM 815 N THR A 51 -23.438 5.831 0.388 1.00 0.00 N ATOM 816 CA THR A 51 -24.236 4.736 0.941 1.00 0.00 C ATOM 817 C THR A 51 -23.360 3.736 1.689 1.00 0.00 C ATOM 818 O THR A 51 -23.882 2.909 2.436 1.00 0.00 O ATOM 819 CB THR A 51 -25.018 4.006 -0.151 1.00 0.00 C ATOM 820 OG1 THR A 51 -24.139 3.257 -0.947 1.00 0.00 O ATOM 821 CG2 THR A 51 -25.730 4.973 -1.079 1.00 0.00 C ATOM 0 H THR A 51 -22.661 5.526 -0.198 1.00 0.00 H new ATOM 0 HA THR A 51 -24.942 5.183 1.640 1.00 0.00 H new ATOM 0 HB THR A 51 -25.747 3.373 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 51 -24.646 2.790 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 51 -26.274 4.413 -1.840 1.00 0.00 H new ATOM 0 HG22 THR A 51 -26.431 5.579 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 51 -24.998 5.622 -1.559 1.00 0.00 H new ATOM 828 N LYS A 52 -22.039 3.823 1.491 1.00 0.00 N ATOM 829 CA LYS A 52 -21.005 2.988 2.098 1.00 0.00 C ATOM 830 C LYS A 52 -21.379 1.507 2.223 1.00 0.00 C ATOM 831 O LYS A 52 -20.886 0.817 3.116 1.00 0.00 O ATOM 832 CB LYS A 52 -20.504 3.586 3.424 1.00 0.00 C ATOM 833 CG LYS A 52 -21.556 3.633 4.540 1.00 0.00 C ATOM 834 CD LYS A 52 -22.295 4.975 4.602 1.00 0.00 C ATOM 835 CE LYS A 52 -21.363 6.137 4.950 1.00 0.00 C ATOM 836 NZ LYS A 52 -20.778 5.977 6.297 1.00 0.00 N ATOM 0 H LYS A 52 -21.643 4.523 0.863 1.00 0.00 H new ATOM 0 HA LYS A 52 -20.172 2.996 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.651 3.003 3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -20.144 4.598 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -22.279 2.832 4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -21.072 3.445 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -22.771 5.170 3.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -23.090 4.915 5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.565 6.199 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -21.916 7.075 4.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.319 6.865 6.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.529 5.740 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -20.073 5.213 6.281 1.00 0.00 H new ATOM 850 N GLU A 53 -22.243 1.004 1.336 1.00 0.00 N ATOM 851 CA GLU A 53 -22.677 -0.385 1.364 1.00 0.00 C ATOM 852 C GLU A 53 -21.619 -1.330 0.779 1.00 0.00 C ATOM 853 O GLU A 53 -21.902 -2.505 0.544 1.00 0.00 O ATOM 854 CB GLU A 53 -24.019 -0.532 0.639 1.00 0.00 C ATOM 855 CG GLU A 53 -23.926 -0.135 -0.834 1.00 0.00 C ATOM 856 CD GLU A 53 -25.253 -0.399 -1.542 1.00 0.00 C ATOM 857 OE1 GLU A 53 -26.124 0.497 -1.495 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.387 -1.498 -2.127 1.00 0.00 O ATOM 0 H GLU A 53 -22.657 1.552 0.582 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.811 -0.674 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -24.360 -1.565 0.714 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.767 0.087 1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.666 0.920 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.129 -0.699 -1.319 1.00 0.00 H new ATOM 865 N SER A 54 -20.400 -0.829 0.544 1.00 0.00 N ATOM 866 CA SER A 54 -19.294 -1.637 0.039 1.00 0.00 C ATOM 867 C SER A 54 -17.999 -1.275 0.762 1.00 0.00 C ATOM 868 O SER A 54 -17.885 -0.199 1.348 1.00 0.00 O ATOM 869 CB SER A 54 -19.155 -1.439 -1.472 1.00 0.00 C ATOM 870 OG SER A 54 -18.124 -2.265 -1.976 1.00 0.00 O ATOM 0 H SER A 54 -20.157 0.149 0.700 1.00 0.00 H new ATOM 0 HA SER A 54 -19.502 -2.690 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.097 -1.677 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.935 -0.394 -1.691 1.00 0.00 H new ATOM 0 HG SER A 54 -18.043 -2.133 -2.944 1.00 0.00 H new ATOM 876 N ARG A 55 -17.028 -2.193 0.715 1.00 0.00 N ATOM 877 CA ARG A 55 -15.784 -2.106 1.478 1.00 0.00 C ATOM 878 C ARG A 55 -14.775 -3.174 1.045 1.00 0.00 C ATOM 879 O ARG A 55 -13.811 -3.428 1.762 1.00 0.00 O ATOM 880 CB ARG A 55 -16.107 -2.256 2.971 1.00 0.00 C ATOM 881 CG ARG A 55 -16.695 -3.637 3.290 1.00 0.00 C ATOM 882 CD ARG A 55 -17.235 -3.688 4.719 1.00 0.00 C ATOM 883 NE ARG A 55 -16.185 -3.436 5.712 1.00 0.00 N ATOM 884 CZ ARG A 55 -16.400 -3.417 7.031 1.00 0.00 C ATOM 885 NH1 ARG A 55 -17.611 -3.647 7.529 1.00 0.00 N ATOM 886 NH2 ARG A 55 -15.394 -3.165 7.861 1.00 0.00 N ATOM 0 H ARG A 55 -17.088 -3.030 0.135 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.327 -1.135 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.200 -2.103 3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.814 -1.482 3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.496 -3.866 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.928 -4.401 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.028 -2.949 4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.681 -4.665 4.903 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.237 -3.266 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.392 -3.841 6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.759 -3.629 8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.460 -2.987 7.491 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.555 -3.150 8.868 1.00 0.00 H new ATOM 900 N GLY A 56 -14.988 -3.812 -0.113 1.00 0.00 N ATOM 901 CA GLY A 56 -14.146 -4.916 -0.570 1.00 0.00 C ATOM 902 C GLY A 56 -12.722 -4.468 -0.888 1.00 0.00 C ATOM 903 O GLY A 56 -11.833 -5.300 -1.059 1.00 0.00 O ATOM 0 H GLY A 56 -15.746 -3.576 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.118 -5.690 0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.590 -5.364 -1.459 1.00 0.00 H new ATOM 907 N PHE A 57 -12.500 -3.155 -0.963 1.00 0.00 N ATOM 908 CA PHE A 57 -11.190 -2.565 -1.176 1.00 0.00 C ATOM 909 C PHE A 57 -11.188 -1.118 -0.697 1.00 0.00 C ATOM 910 O PHE A 57 -12.238 -0.545 -0.403 1.00 0.00 O ATOM 911 CB PHE A 57 -10.771 -2.679 -2.645 1.00 0.00 C ATOM 912 CG PHE A 57 -11.654 -2.040 -3.702 1.00 0.00 C ATOM 913 CD1 PHE A 57 -12.883 -1.440 -3.390 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.215 -2.062 -5.034 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.669 -0.875 -4.400 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.994 -1.486 -6.049 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.221 -0.894 -5.730 1.00 0.00 C ATOM 0 H PHE A 57 -13.245 -2.463 -0.875 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.453 -3.116 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.775 -2.247 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.683 -3.739 -2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.224 -1.414 -2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.271 -2.525 -5.280 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.620 -0.425 -4.156 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.648 -1.500 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.824 -0.451 -6.508 1.00 0.00 H new ATOM 927 N ALA A 58 -9.993 -0.535 -0.620 1.00 0.00 N ATOM 928 CA ALA A 58 -9.801 0.834 -0.193 1.00 0.00 C ATOM 929 C ALA A 58 -8.602 1.367 -0.955 1.00 0.00 C ATOM 930 O ALA A 58 -7.465 1.166 -0.535 1.00 0.00 O ATOM 931 CB ALA A 58 -9.562 0.895 1.316 1.00 0.00 C ATOM 0 H ALA A 58 -9.124 -1.014 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.685 1.437 -0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.420 1.932 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.424 0.479 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.672 0.318 1.567 1.00 0.00 H new ATOM 937 N PHE A 59 -8.856 2.048 -2.072 1.00 0.00 N ATOM 938 CA PHE A 59 -7.786 2.530 -2.922 1.00 0.00 C ATOM 939 C PHE A 59 -6.968 3.531 -2.123 1.00 0.00 C ATOM 940 O PHE A 59 -7.497 4.541 -1.650 1.00 0.00 O ATOM 941 CB PHE A 59 -8.381 3.137 -4.199 1.00 0.00 C ATOM 942 CG PHE A 59 -7.377 3.824 -5.092 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.950 5.117 -4.763 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.875 3.197 -6.245 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.016 5.777 -5.566 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.931 3.859 -7.043 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.484 5.144 -6.699 1.00 0.00 C ATOM 0 H PHE A 59 -9.794 2.274 -2.403 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.127 1.721 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.873 2.347 -4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.152 3.856 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.345 5.606 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.215 2.208 -6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.702 6.779 -5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.545 3.376 -7.929 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.737 5.641 -7.301 1.00 0.00 H new ATOM 957 N VAL A 60 -5.674 3.246 -1.974 1.00 0.00 N ATOM 958 CA VAL A 60 -4.755 4.175 -1.329 1.00 0.00 C ATOM 959 C VAL A 60 -3.681 4.552 -2.328 1.00 0.00 C ATOM 960 O VAL A 60 -3.578 3.886 -3.355 1.00 0.00 O ATOM 961 CB VAL A 60 -4.122 3.573 -0.064 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.103 2.686 0.689 1.00 0.00 C ATOM 963 CG2 VAL A 60 -2.853 2.779 -0.365 1.00 0.00 C ATOM 0 H VAL A 60 -5.242 2.379 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.310 5.058 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.853 4.423 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.618 2.279 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.971 3.274 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.423 1.868 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.447 2.376 0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.089 1.960 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.116 3.434 -0.829 1.00 0.00 H new ATOM 973 N ARG A 61 -2.892 5.589 -2.039 1.00 0.00 N ATOM 974 CA ARG A 61 -1.783 5.957 -2.905 1.00 0.00 C ATOM 975 C ARG A 61 -0.594 6.493 -2.111 1.00 0.00 C ATOM 976 O ARG A 61 -0.761 7.360 -1.252 1.00 0.00 O ATOM 977 CB ARG A 61 -2.261 6.933 -3.984 1.00 0.00 C ATOM 978 CG ARG A 61 -2.113 8.410 -3.598 1.00 0.00 C ATOM 979 CD ARG A 61 -2.880 9.291 -4.584 1.00 0.00 C ATOM 980 NE ARG A 61 -2.636 8.868 -5.969 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.602 8.670 -6.872 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.870 8.941 -6.586 1.00 0.00 N ATOM 983 NH2 ARG A 61 -3.296 8.196 -8.072 1.00 0.00 N ATOM 0 H ARG A 61 -3.004 6.182 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.422 5.059 -3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.700 6.749 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.309 6.729 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.489 8.569 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.059 8.689 -3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.947 9.241 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.578 10.331 -4.459 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.670 8.716 -6.260 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.119 9.306 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.595 8.784 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.326 7.983 -8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.031 8.044 -8.763 1.00 0.00 H new ATOM 997 N PHE A 62 0.601 5.970 -2.405 1.00 0.00 N ATOM 998 CA PHE A 62 1.868 6.470 -1.880 1.00 0.00 C ATOM 999 C PHE A 62 2.460 7.471 -2.863 1.00 0.00 C ATOM 1000 O PHE A 62 1.932 7.635 -3.965 1.00 0.00 O ATOM 1001 CB PHE A 62 2.851 5.317 -1.702 1.00 0.00 C ATOM 1002 CG PHE A 62 2.603 4.457 -0.490 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.486 3.613 -0.433 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.503 4.504 0.586 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.276 2.814 0.697 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.292 3.704 1.712 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.184 2.847 1.761 1.00 0.00 C ATOM 0 H PHE A 62 0.713 5.170 -3.028 1.00 0.00 H new ATOM 0 HA PHE A 62 1.689 6.948 -0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.815 4.687 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.860 5.724 -1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.790 3.579 -1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.360 5.160 0.544 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.410 2.170 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.981 3.746 2.543 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.031 2.212 2.621 1.00 0.00 H new ATOM 1017 N HIS A 63 3.553 8.129 -2.452 1.00 0.00 N ATOM 1018 CA HIS A 63 4.235 9.124 -3.268 1.00 0.00 C ATOM 1019 C HIS A 63 5.724 8.839 -3.423 1.00 0.00 C ATOM 1020 O HIS A 63 6.299 9.127 -4.470 1.00 0.00 O ATOM 1021 CB HIS A 63 4.080 10.530 -2.672 1.00 0.00 C ATOM 1022 CG HIS A 63 3.196 10.684 -1.455 1.00 0.00 C ATOM 1023 ND1 HIS A 63 3.336 10.047 -0.249 1.00 0.00 N flip ATOM 1024 CD2 HIS A 63 2.104 11.551 -1.388 1.00 0.00 C flip ATOM 1025 CE1 HIS A 63 2.346 10.540 0.562 1.00 0.00 C flip ATOM 1026 NE2 HIS A 63 1.632 11.439 -0.139 1.00 0.00 N flip ATOM 0 H HIS A 63 3.985 7.980 -1.540 1.00 0.00 H new ATOM 0 HA HIS A 63 3.763 9.071 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.074 10.896 -2.413 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.693 11.184 -3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.720 12.180 -2.177 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.170 10.255 1.589 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.839 11.964 0.230 1.00 0.00 H new ATOM 1034 N ASP A 64 6.356 8.279 -2.396 1.00 0.00 N ATOM 1035 CA ASP A 64 7.779 7.997 -2.422 1.00 0.00 C ATOM 1036 C ASP A 64 8.022 6.608 -2.995 1.00 0.00 C ATOM 1037 O ASP A 64 7.359 5.652 -2.596 1.00 0.00 O ATOM 1038 CB ASP A 64 8.282 8.072 -0.989 1.00 0.00 C ATOM 1039 CG ASP A 64 8.427 9.520 -0.532 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.418 10.162 -0.944 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.541 9.976 0.227 1.00 0.00 O ATOM 0 H ASP A 64 5.894 8.010 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 64 8.306 8.716 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.591 7.547 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.244 7.565 -0.911 1.00 0.00 H new ATOM 1046 N LYS A 65 8.970 6.489 -3.927 1.00 0.00 N ATOM 1047 CA LYS A 65 9.276 5.213 -4.556 1.00 0.00 C ATOM 1048 C LYS A 65 9.706 4.196 -3.511 1.00 0.00 C ATOM 1049 O LYS A 65 9.141 3.107 -3.461 1.00 0.00 O ATOM 1050 CB LYS A 65 10.356 5.407 -5.631 1.00 0.00 C ATOM 1051 CG LYS A 65 10.953 4.084 -6.129 1.00 0.00 C ATOM 1052 CD LYS A 65 9.914 3.087 -6.654 1.00 0.00 C ATOM 1053 CE LYS A 65 9.115 3.631 -7.836 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.980 3.887 -9.003 1.00 0.00 N ATOM 0 H LYS A 65 9.538 7.268 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 65 8.380 4.827 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.927 5.946 -6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.154 6.030 -5.228 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.670 4.297 -6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.508 3.619 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.418 2.168 -6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.229 2.825 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.336 2.919 -8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.614 4.554 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.392 4.142 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.631 4.669 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.528 3.031 -9.223 1.00 0.00 H new ATOM 1068 N ARG A 66 10.693 4.530 -2.677 1.00 0.00 N ATOM 1069 CA ARG A 66 11.233 3.564 -1.726 1.00 0.00 C ATOM 1070 C ARG A 66 10.184 3.089 -0.724 1.00 0.00 C ATOM 1071 O ARG A 66 10.267 1.962 -0.247 1.00 0.00 O ATOM 1072 CB ARG A 66 12.489 4.145 -1.067 1.00 0.00 C ATOM 1073 CG ARG A 66 12.237 5.377 -0.198 1.00 0.00 C ATOM 1074 CD ARG A 66 11.873 5.005 1.244 1.00 0.00 C ATOM 1075 NE ARG A 66 12.976 4.323 1.933 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.839 3.694 3.100 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.664 3.653 3.721 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.890 3.094 3.658 1.00 0.00 N ATOM 0 H ARG A 66 11.129 5.452 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 66 11.527 2.662 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.953 3.372 -0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.205 4.406 -1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.127 6.006 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.431 5.968 -0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.605 5.907 1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.994 4.360 1.241 1.00 0.00 H new ATOM 0 HE ARG A 66 13.897 4.331 1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.851 4.107 3.305 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.576 3.167 4.614 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.797 3.117 3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.787 2.612 4.551 1.00 0.00 H new ATOM 1092 N ASP A 67 9.197 3.931 -0.406 1.00 0.00 N ATOM 1093 CA ASP A 67 8.140 3.554 0.519 1.00 0.00 C ATOM 1094 C ASP A 67 7.019 2.815 -0.211 1.00 0.00 C ATOM 1095 O ASP A 67 6.253 2.083 0.417 1.00 0.00 O ATOM 1096 CB ASP A 67 7.569 4.803 1.199 1.00 0.00 C ATOM 1097 CG ASP A 67 8.626 5.527 2.027 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.331 4.839 2.795 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.717 6.768 1.887 1.00 0.00 O ATOM 0 H ASP A 67 9.113 4.877 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 67 8.566 2.890 1.272 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.172 5.480 0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.735 4.519 1.841 1.00 0.00 H new ATOM 1104 N ALA A 68 6.924 3.000 -1.530 1.00 0.00 N ATOM 1105 CA ALA A 68 5.906 2.381 -2.349 1.00 0.00 C ATOM 1106 C ALA A 68 6.308 0.946 -2.681 1.00 0.00 C ATOM 1107 O ALA A 68 5.485 0.035 -2.581 1.00 0.00 O ATOM 1108 CB ALA A 68 5.781 3.208 -3.628 1.00 0.00 C ATOM 0 H ALA A 68 7.565 3.594 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 68 4.952 2.349 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.019 2.769 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.497 4.229 -3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.737 3.216 -4.151 1.00 0.00 H new ATOM 1114 N GLU A 69 7.568 0.731 -3.076 1.00 0.00 N ATOM 1115 CA GLU A 69 8.021 -0.611 -3.405 1.00 0.00 C ATOM 1116 C GLU A 69 8.296 -1.426 -2.145 1.00 0.00 C ATOM 1117 O GLU A 69 8.236 -2.654 -2.200 1.00 0.00 O ATOM 1118 CB GLU A 69 9.265 -0.570 -4.305 1.00 0.00 C ATOM 1119 CG GLU A 69 10.462 0.103 -3.637 1.00 0.00 C ATOM 1120 CD GLU A 69 11.744 -0.193 -4.411 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.951 0.456 -5.459 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.513 -1.062 -3.943 1.00 0.00 O ATOM 0 H GLU A 69 8.276 1.459 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 69 7.219 -1.102 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.537 -1.587 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.023 -0.039 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.300 1.180 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.560 -0.252 -2.611 1.00 0.00 H new ATOM 1129 N ASP A 70 8.594 -0.783 -1.009 1.00 0.00 N ATOM 1130 CA ASP A 70 8.845 -1.535 0.212 1.00 0.00 C ATOM 1131 C ASP A 70 7.539 -2.068 0.793 1.00 0.00 C ATOM 1132 O ASP A 70 7.470 -3.232 1.179 1.00 0.00 O ATOM 1133 CB ASP A 70 9.563 -0.640 1.221 1.00 0.00 C ATOM 1134 CG ASP A 70 9.912 -1.403 2.494 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.679 -2.383 2.383 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.407 -1.000 3.569 1.00 0.00 O ATOM 0 H ASP A 70 8.665 0.230 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 70 9.480 -2.391 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.473 -0.242 0.773 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.930 0.212 1.468 1.00 0.00 H new ATOM 1141 N ALA A 71 6.496 -1.233 0.858 1.00 0.00 N ATOM 1142 CA ALA A 71 5.213 -1.662 1.389 1.00 0.00 C ATOM 1143 C ALA A 71 4.601 -2.741 0.507 1.00 0.00 C ATOM 1144 O ALA A 71 3.870 -3.609 0.986 1.00 0.00 O ATOM 1145 CB ALA A 71 4.279 -0.458 1.474 1.00 0.00 C ATOM 0 H ALA A 71 6.522 -0.261 0.549 1.00 0.00 H new ATOM 0 HA ALA A 71 5.360 -2.082 2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.314 -0.773 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.714 0.294 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.140 -0.034 0.479 1.00 0.00 H new ATOM 1151 N MET A 72 4.903 -2.695 -0.794 1.00 0.00 N ATOM 1152 CA MET A 72 4.449 -3.701 -1.732 1.00 0.00 C ATOM 1153 C MET A 72 5.259 -4.980 -1.579 1.00 0.00 C ATOM 1154 O MET A 72 4.693 -6.070 -1.589 1.00 0.00 O ATOM 1155 CB MET A 72 4.610 -3.123 -3.133 1.00 0.00 C ATOM 1156 CG MET A 72 4.567 -4.156 -4.253 1.00 0.00 C ATOM 1157 SD MET A 72 4.352 -3.423 -5.896 1.00 0.00 S ATOM 1158 CE MET A 72 5.488 -2.013 -5.792 1.00 0.00 C ATOM 0 H MET A 72 5.468 -1.958 -1.216 1.00 0.00 H new ATOM 0 HA MET A 72 3.406 -3.957 -1.544 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.822 -2.390 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.559 -2.589 -3.185 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.490 -4.735 -4.239 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.750 -4.853 -4.064 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.549 -1.523 -6.764 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.121 -1.304 -5.050 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.478 -2.364 -5.499 1.00 0.00 H new ATOM 1168 N ASP A 73 6.580 -4.860 -1.437 1.00 0.00 N ATOM 1169 CA ASP A 73 7.440 -6.025 -1.309 1.00 0.00 C ATOM 1170 C ASP A 73 7.380 -6.608 0.105 1.00 0.00 C ATOM 1171 O ASP A 73 8.043 -7.607 0.390 1.00 0.00 O ATOM 1172 CB ASP A 73 8.872 -5.633 -1.677 1.00 0.00 C ATOM 1173 CG ASP A 73 9.799 -6.842 -1.753 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.491 -7.761 -2.550 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.813 -6.837 -1.018 1.00 0.00 O ATOM 0 H ASP A 73 7.072 -3.967 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 73 7.090 -6.800 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.870 -5.118 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.255 -4.929 -0.938 1.00 0.00 H new ATOM 1180 N ALA A 74 6.592 -6.001 0.999 1.00 0.00 N ATOM 1181 CA ALA A 74 6.527 -6.413 2.391 1.00 0.00 C ATOM 1182 C ALA A 74 5.110 -6.690 2.888 1.00 0.00 C ATOM 1183 O ALA A 74 4.955 -7.158 4.014 1.00 0.00 O ATOM 1184 CB ALA A 74 7.151 -5.311 3.238 1.00 0.00 C ATOM 0 H ALA A 74 5.986 -5.213 0.771 1.00 0.00 H new ATOM 0 HA ALA A 74 7.068 -7.355 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.115 -5.596 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.188 -5.164 2.937 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.597 -4.384 3.094 1.00 0.00 H new ATOM 1190 N MET A 75 4.079 -6.415 2.079 1.00 0.00 N ATOM 1191 CA MET A 75 2.719 -6.733 2.506 1.00 0.00 C ATOM 1192 C MET A 75 1.843 -7.378 1.434 1.00 0.00 C ATOM 1193 O MET A 75 0.925 -8.113 1.795 1.00 0.00 O ATOM 1194 CB MET A 75 2.026 -5.479 3.033 1.00 0.00 C ATOM 1195 CG MET A 75 1.343 -5.800 4.362 1.00 0.00 C ATOM 1196 SD MET A 75 0.046 -4.625 4.831 1.00 0.00 S ATOM 1197 CE MET A 75 1.050 -3.132 4.982 1.00 0.00 C ATOM 0 H MET A 75 4.158 -5.987 1.156 1.00 0.00 H new ATOM 0 HA MET A 75 2.836 -7.480 3.292 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.753 -4.678 3.169 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.292 -5.124 2.310 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.910 -6.798 4.303 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.097 -5.825 5.149 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.401 -2.272 5.145 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.733 -3.236 5.825 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.624 -2.985 4.067 1.00 0.00 H new ATOM 1207 N ASP A 76 2.073 -7.139 0.138 1.00 0.00 N ATOM 1208 CA ASP A 76 1.259 -7.835 -0.856 1.00 0.00 C ATOM 1209 C ASP A 76 1.510 -9.337 -0.725 1.00 0.00 C ATOM 1210 O ASP A 76 2.646 -9.784 -0.556 1.00 0.00 O ATOM 1211 CB ASP A 76 1.610 -7.337 -2.262 1.00 0.00 C ATOM 1212 CG ASP A 76 1.144 -8.273 -3.373 1.00 0.00 C ATOM 1213 OD1 ASP A 76 1.790 -9.328 -3.560 1.00 0.00 O ATOM 1214 OD2 ASP A 76 0.137 -7.920 -4.027 1.00 0.00 O ATOM 0 H ASP A 76 2.779 -6.502 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 76 0.201 -7.633 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.162 -6.355 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.690 -7.209 -2.335 1.00 0.00 H new ATOM 1219 N GLY A 77 0.436 -10.122 -0.803 1.00 0.00 N ATOM 1220 CA GLY A 77 0.539 -11.571 -0.739 1.00 0.00 C ATOM 1221 C GLY A 77 0.827 -12.063 0.677 1.00 0.00 C ATOM 1222 O GLY A 77 1.489 -13.089 0.845 1.00 0.00 O ATOM 0 H GLY A 77 -0.516 -9.773 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.390 -12.016 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.331 -11.908 -1.408 1.00 0.00 H new ATOM 1226 N ALA A 78 0.339 -11.344 1.692 1.00 0.00 N ATOM 1227 CA ALA A 78 0.548 -11.688 3.093 1.00 0.00 C ATOM 1228 C ALA A 78 -0.809 -11.631 3.782 1.00 0.00 C ATOM 1229 O ALA A 78 -1.073 -10.736 4.578 1.00 0.00 O ATOM 1230 CB ALA A 78 1.573 -10.738 3.718 1.00 0.00 C ATOM 0 H ALA A 78 -0.217 -10.499 1.558 1.00 0.00 H new ATOM 0 HA ALA A 78 0.958 -12.692 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.723 -11.002 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.519 -10.821 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.207 -9.713 3.651 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.653 -12.609 3.432 1.00 0.00 N ATOM 1237 CA VAL A 79 -3.077 -12.653 3.740 1.00 0.00 C ATOM 1238 C VAL A 79 -3.491 -12.299 5.149 1.00 0.00 C ATOM 1239 O VAL A 79 -2.692 -12.213 6.078 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.650 -14.033 3.425 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -3.178 -15.090 4.416 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -5.174 -13.969 3.351 1.00 0.00 C ATOM 0 H VAL A 79 -1.343 -13.424 2.903 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.481 -11.865 3.105 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.272 -14.337 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.611 -16.055 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.091 -15.159 4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.494 -14.813 5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.569 -14.960 3.126 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.571 -13.629 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.471 -13.273 2.567 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.806 -12.105 5.255 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.443 -11.970 6.542 1.00 0.00 C ATOM 1254 C LEU A 80 -6.849 -12.569 6.681 1.00 0.00 C ATOM 1255 O LEU A 80 -7.379 -12.590 7.788 1.00 0.00 O ATOM 1256 CB LEU A 80 -5.437 -10.496 6.951 1.00 0.00 C ATOM 1257 CG LEU A 80 -6.562 -9.686 6.287 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -6.327 -8.207 6.571 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -6.642 -9.893 4.770 1.00 0.00 C ATOM 0 H LEU A 80 -5.440 -12.040 4.459 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.845 -12.579 7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.535 -10.424 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.475 -10.055 6.688 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.505 -10.035 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.117 -7.617 6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.333 -8.038 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.362 -7.907 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.456 -9.293 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.702 -9.587 4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.825 -10.946 4.556 1.00 0.00 H new ATOM 1271 N ASP A 81 -7.463 -13.052 5.598 1.00 0.00 N ATOM 1272 CA ASP A 81 -8.795 -13.637 5.693 1.00 0.00 C ATOM 1273 C ASP A 81 -9.105 -14.607 4.550 1.00 0.00 C ATOM 1274 O ASP A 81 -10.233 -15.072 4.427 1.00 0.00 O ATOM 1275 CB ASP A 81 -9.827 -12.509 5.738 1.00 0.00 C ATOM 1276 CG ASP A 81 -11.178 -13.001 6.251 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -11.267 -13.261 7.472 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -12.110 -13.112 5.425 1.00 0.00 O ATOM 0 H ASP A 81 -7.063 -13.049 4.660 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.838 -14.228 6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.463 -11.708 6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.948 -12.086 4.741 1.00 0.00 H new ATOM 1283 N GLY A 82 -8.119 -14.918 3.704 1.00 0.00 N ATOM 1284 CA GLY A 82 -8.358 -15.749 2.526 1.00 0.00 C ATOM 1285 C GLY A 82 -8.584 -14.904 1.271 1.00 0.00 C ATOM 1286 O GLY A 82 -9.089 -15.402 0.265 1.00 0.00 O ATOM 0 H GLY A 82 -7.154 -14.608 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.507 -16.411 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.228 -16.383 2.699 1.00 0.00 H new ATOM 1290 N ARG A 83 -8.209 -13.622 1.331 1.00 0.00 N ATOM 1291 CA ARG A 83 -8.339 -12.661 0.240 1.00 0.00 C ATOM 1292 C ARG A 83 -7.175 -11.694 0.342 1.00 0.00 C ATOM 1293 O ARG A 83 -7.316 -10.486 0.507 1.00 0.00 O ATOM 1294 CB ARG A 83 -9.692 -11.957 0.267 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.953 -11.252 1.601 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.947 -10.125 1.331 1.00 0.00 C ATOM 1297 NE ARG A 83 -12.267 -10.653 0.960 1.00 0.00 N ATOM 1298 CZ ARG A 83 -13.230 -9.932 0.384 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -13.044 -8.646 0.097 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -14.396 -10.498 0.089 1.00 0.00 N ATOM 0 H ARG A 83 -7.794 -13.215 2.169 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.304 -13.171 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.736 -11.228 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.482 -12.685 0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.355 -11.952 2.334 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.026 -10.856 2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.040 -9.499 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.570 -9.489 0.530 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.460 -11.635 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.155 -8.198 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.791 -8.109 -0.344 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.554 -11.483 0.303 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.133 -9.948 -0.351 1.00 0.00 H new ATOM 1314 N GLU A 84 -6.000 -12.294 0.243 1.00 0.00 N ATOM 1315 CA GLU A 84 -4.737 -11.688 0.580 1.00 0.00 C ATOM 1316 C GLU A 84 -4.510 -10.334 -0.044 1.00 0.00 C ATOM 1317 O GLU A 84 -4.654 -10.145 -1.246 1.00 0.00 O ATOM 1318 CB GLU A 84 -3.581 -12.630 0.261 1.00 0.00 C ATOM 1319 CG GLU A 84 -4.021 -14.092 0.249 1.00 0.00 C ATOM 1320 CD GLU A 84 -4.661 -14.483 -1.085 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -3.965 -14.374 -2.121 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -5.842 -14.892 -1.054 1.00 0.00 O ATOM 0 H GLU A 84 -5.904 -13.254 -0.088 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.777 -11.512 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.159 -12.370 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.790 -12.496 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.160 -14.732 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.732 -14.264 1.057 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.147 -9.409 0.833 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.824 -8.041 0.494 1.00 0.00 C ATOM 1331 C LEU A 85 -3.021 -7.954 -0.795 1.00 0.00 C ATOM 1332 O LEU A 85 -2.103 -8.743 -1.029 1.00 0.00 O ATOM 1333 CB LEU A 85 -3.134 -7.315 1.648 1.00 0.00 C ATOM 1334 CG LEU A 85 -2.324 -8.173 2.615 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -1.525 -7.221 3.484 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -3.267 -8.958 3.529 1.00 0.00 C ATOM 0 H LEU A 85 -4.068 -9.602 1.831 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.767 -7.525 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.470 -6.560 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.896 -6.786 2.220 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.688 -8.867 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.927 -7.792 4.195 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.867 -6.621 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.206 -6.565 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.682 -9.569 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.886 -8.263 4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.906 -9.603 2.925 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.389 -6.977 -1.626 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.781 -6.749 -2.927 1.00 0.00 C ATOM 1350 C ARG A 86 -2.419 -5.276 -3.034 1.00 0.00 C ATOM 1351 O ARG A 86 -3.246 -4.401 -2.788 1.00 0.00 O ATOM 1352 CB ARG A 86 -3.760 -7.157 -4.036 1.00 0.00 C ATOM 1353 CG ARG A 86 -3.947 -8.674 -4.171 1.00 0.00 C ATOM 1354 CD ARG A 86 -2.597 -9.378 -4.304 1.00 0.00 C ATOM 1355 NE ARG A 86 -2.712 -10.665 -5.000 1.00 0.00 N ATOM 1356 CZ ARG A 86 -3.136 -11.800 -4.446 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -3.543 -11.836 -3.183 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -3.155 -12.921 -5.157 1.00 0.00 N ATOM 0 H ARG A 86 -4.131 -6.313 -1.405 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.879 -7.351 -3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.729 -6.697 -3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.405 -6.758 -4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.478 -9.058 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.564 -8.893 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.905 -8.734 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.173 -9.539 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.447 -10.693 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.534 -10.986 -2.620 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.864 -12.714 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.845 -12.914 -6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.480 -13.789 -4.732 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.170 -5.001 -3.404 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.662 -3.642 -3.544 1.00 0.00 C ATOM 1374 C VAL A 87 0.331 -3.580 -4.697 1.00 0.00 C ATOM 1375 O VAL A 87 1.345 -4.275 -4.698 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.063 -3.154 -2.215 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.814 -4.177 -1.514 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.781 -1.896 -2.397 1.00 0.00 C ATOM 0 H VAL A 87 -0.479 -5.721 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.481 -2.964 -3.784 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.939 -2.957 -1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.196 -3.753 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.227 -5.068 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.649 -4.445 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.185 -1.586 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.601 -2.104 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.161 -1.098 -2.804 1.00 0.00 H new ATOM 1388 N GLN A 88 0.015 -2.732 -5.678 1.00 0.00 N ATOM 1389 CA GLN A 88 0.789 -2.529 -6.894 1.00 0.00 C ATOM 1390 C GLN A 88 0.515 -1.127 -7.420 1.00 0.00 C ATOM 1391 O GLN A 88 -0.441 -0.476 -7.004 1.00 0.00 O ATOM 1392 CB GLN A 88 0.382 -3.556 -7.960 1.00 0.00 C ATOM 1393 CG GLN A 88 0.747 -4.987 -7.553 1.00 0.00 C ATOM 1394 CD GLN A 88 0.449 -5.996 -8.656 1.00 0.00 C ATOM 1395 OE1 GLN A 88 0.296 -5.636 -9.823 1.00 0.00 O ATOM 1396 NE2 GLN A 88 0.365 -7.275 -8.297 1.00 0.00 N ATOM 0 H GLN A 88 -0.820 -2.148 -5.641 1.00 0.00 H new ATOM 0 HA GLN A 88 1.849 -2.651 -6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.692 -3.492 -8.133 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.871 -3.312 -8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.806 -5.031 -7.300 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.193 -5.260 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.497 -7.540 -7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.169 -7.990 -8.998 1.00 0.00 H new ATOM 1405 N MET A 89 1.363 -0.668 -8.341 1.00 0.00 N ATOM 1406 CA MET A 89 1.356 0.689 -8.866 1.00 0.00 C ATOM 1407 C MET A 89 0.008 1.085 -9.473 1.00 0.00 C ATOM 1408 O MET A 89 -0.851 0.241 -9.725 1.00 0.00 O ATOM 1409 CB MET A 89 2.486 0.774 -9.890 1.00 0.00 C ATOM 1410 CG MET A 89 3.815 0.534 -9.158 1.00 0.00 C ATOM 1411 SD MET A 89 4.480 2.017 -8.368 1.00 0.00 S ATOM 1412 CE MET A 89 5.786 1.247 -7.378 1.00 0.00 C ATOM 0 H MET A 89 2.093 -1.250 -8.751 1.00 0.00 H new ATOM 0 HA MET A 89 1.512 1.400 -8.054 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.345 0.031 -10.675 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.489 1.751 -10.373 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.670 -0.237 -8.401 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.548 0.150 -9.868 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.524 2.000 -7.101 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.352 0.815 -6.476 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.269 0.462 -7.960 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.167 2.388 -9.708 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.394 2.945 -10.263 1.00 0.00 C ATOM 1424 C ALA A 90 -1.101 3.929 -11.388 1.00 0.00 C ATOM 1425 O ALA A 90 -0.118 4.670 -11.337 1.00 0.00 O ATOM 1426 CB ALA A 90 -2.180 3.636 -9.158 1.00 0.00 C ATOM 0 H ALA A 90 0.548 3.089 -9.515 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.983 2.129 -10.682 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.098 4.053 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.428 2.913 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.578 4.437 -8.730 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.969 3.930 -12.409 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.829 4.793 -13.586 1.00 0.00 C ATOM 1434 C ARG A 91 -3.190 5.116 -14.208 1.00 0.00 C ATOM 1435 O ARG A 91 -3.255 5.842 -15.199 1.00 0.00 O ATOM 1436 CB ARG A 91 -0.972 4.085 -14.647 1.00 0.00 C ATOM 1437 CG ARG A 91 0.437 3.750 -14.153 1.00 0.00 C ATOM 1438 CD ARG A 91 1.228 3.105 -15.287 1.00 0.00 C ATOM 1439 NE ARG A 91 2.575 2.727 -14.849 1.00 0.00 N ATOM 1440 CZ ARG A 91 2.873 1.580 -14.234 1.00 0.00 C ATOM 1441 NH1 ARG A 91 1.935 0.672 -13.977 1.00 0.00 N ATOM 1442 NH2 ARG A 91 4.132 1.334 -13.875 1.00 0.00 N ATOM 0 H ARG A 91 -2.792 3.328 -12.440 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.357 5.720 -13.261 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.471 3.166 -14.955 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.900 4.720 -15.530 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.940 4.655 -13.812 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.385 3.074 -13.300 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.699 2.222 -15.646 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.297 3.798 -16.125 1.00 0.00 H new ATOM 0 HE ARG A 91 3.335 3.384 -15.026 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.968 0.846 -14.251 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.183 -0.198 -13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.861 2.020 -14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.367 0.460 -13.405 1.00 0.00 H new ATOM 1456 N TYR A 92 -4.270 4.582 -13.631 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.617 4.671 -14.178 1.00 0.00 C ATOM 1458 C TYR A 92 -6.280 6.031 -13.920 1.00 0.00 C ATOM 1459 O TYR A 92 -7.373 6.076 -13.349 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.460 3.532 -13.607 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.099 2.134 -14.060 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -5.076 1.893 -14.994 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -6.820 1.062 -13.524 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -4.770 0.580 -15.378 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -6.521 -0.253 -13.896 1.00 0.00 C ATOM 1466 CZ TYR A 92 -5.491 -0.502 -14.828 1.00 0.00 C ATOM 1467 OH TYR A 92 -5.186 -1.779 -15.194 1.00 0.00 O ATOM 0 H TYR A 92 -4.226 4.066 -12.752 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.547 4.577 -15.262 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.390 3.567 -12.520 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.503 3.716 -13.866 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -4.525 2.721 -15.416 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.614 1.251 -12.817 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.983 0.396 -16.094 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.077 -1.076 -13.471 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.772 -2.246 -14.438 1.00 0.00 H new ATOM 1477 N GLY A 93 -5.643 7.135 -14.328 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.220 8.472 -14.229 1.00 0.00 C ATOM 1479 C GLY A 93 -6.774 8.766 -12.835 1.00 0.00 C ATOM 1480 O GLY A 93 -6.264 8.238 -11.854 1.00 0.00 O ATOM 0 H GLY A 93 -4.709 7.121 -14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.460 9.212 -14.478 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.019 8.575 -14.964 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.811 9.602 -12.746 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.513 9.877 -11.494 1.00 0.00 C ATOM 1486 C ARG A 94 -9.955 10.282 -11.802 1.00 0.00 C ATOM 1487 O ARG A 94 -10.213 10.747 -12.911 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.779 10.986 -10.730 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.897 12.341 -11.434 1.00 0.00 C ATOM 1490 CD ARG A 94 -7.037 13.394 -10.735 1.00 0.00 C ATOM 1491 NE ARG A 94 -7.416 13.570 -9.327 1.00 0.00 N ATOM 1492 CZ ARG A 94 -7.332 14.727 -8.660 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -6.929 15.840 -9.268 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -7.650 14.772 -7.373 1.00 0.00 N ATOM 0 H ARG A 94 -8.188 10.109 -13.546 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.531 8.984 -10.869 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.187 11.064 -9.722 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.727 10.721 -10.628 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.586 12.243 -12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.939 12.662 -11.441 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.988 13.103 -10.794 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.133 14.346 -11.258 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.767 12.755 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.679 15.819 -10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.870 16.714 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.958 13.926 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.587 15.653 -6.863 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.889 10.118 -10.852 1.00 0.00 N ATOM 1509 CA PRO A 95 -12.305 10.434 -11.004 1.00 0.00 C ATOM 1510 C PRO A 95 -12.644 11.619 -11.915 1.00 0.00 C ATOM 1511 O PRO A 95 -12.543 12.769 -11.493 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.795 10.660 -9.577 1.00 0.00 C ATOM 1513 CG PRO A 95 -12.010 9.599 -8.810 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.652 9.588 -9.515 1.00 0.00 C ATOM 0 HA PRO A 95 -12.803 9.614 -11.522 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.575 11.667 -9.223 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.872 10.518 -9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.913 9.854 -7.755 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.497 8.625 -8.859 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.928 10.199 -8.976 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -10.245 8.578 -9.562 1.00 0.00 H new ATOM 1522 N PRO A 96 -13.052 11.352 -13.166 1.00 0.00 N ATOM 1523 CA PRO A 96 -13.568 12.367 -14.076 1.00 0.00 C ATOM 1524 C PRO A 96 -15.059 12.607 -13.810 1.00 0.00 C ATOM 1525 O PRO A 96 -15.586 13.680 -14.103 1.00 0.00 O ATOM 1526 CB PRO A 96 -13.383 11.753 -15.460 1.00 0.00 C ATOM 1527 CG PRO A 96 -13.602 10.259 -15.210 1.00 0.00 C ATOM 1528 CD PRO A 96 -13.044 10.041 -13.801 1.00 0.00 C ATOM 0 HA PRO A 96 -13.062 13.326 -13.965 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.101 12.151 -16.177 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.389 11.953 -15.860 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.658 9.994 -15.268 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.079 9.649 -15.947 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.656 9.332 -13.243 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.035 9.631 -13.839 1.00 0.00 H new ATOM 1536 N ASP A 97 -15.726 11.595 -13.251 1.00 0.00 N ATOM 1537 CA ASP A 97 -17.128 11.599 -12.888 1.00 0.00 C ATOM 1538 C ASP A 97 -17.323 10.660 -11.693 1.00 0.00 C ATOM 1539 O ASP A 97 -16.339 10.261 -11.071 1.00 0.00 O ATOM 1540 CB ASP A 97 -17.952 11.161 -14.100 1.00 0.00 C ATOM 1541 CG ASP A 97 -17.579 9.771 -14.614 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -17.733 8.797 -13.844 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -17.137 9.694 -15.781 1.00 0.00 O ATOM 0 H ASP A 97 -15.271 10.709 -13.032 1.00 0.00 H new ATOM 0 HA ASP A 97 -17.462 12.595 -12.597 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -19.009 11.171 -13.835 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -17.818 11.886 -14.903 1.00 0.00 H new ATOM 1548 N SER A 98 -18.568 10.302 -11.361 1.00 0.00 N ATOM 1549 CA SER A 98 -18.824 9.420 -10.228 1.00 0.00 C ATOM 1550 C SER A 98 -19.675 8.214 -10.606 1.00 0.00 C ATOM 1551 O SER A 98 -19.140 7.119 -10.787 1.00 0.00 O ATOM 1552 CB SER A 98 -19.460 10.218 -9.083 1.00 0.00 C ATOM 1553 OG SER A 98 -20.614 10.898 -9.535 1.00 0.00 O ATOM 0 H SER A 98 -19.404 10.608 -11.858 1.00 0.00 H new ATOM 0 HA SER A 98 -17.867 9.020 -9.894 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.723 9.546 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.740 10.934 -8.687 1.00 0.00 H new ATOM 0 HG SER A 98 -21.009 11.401 -8.793 1.00 0.00 H new ATOM 1559 N HIS A 99 -20.992 8.395 -10.721 1.00 0.00 N ATOM 1560 CA HIS A 99 -21.907 7.296 -10.982 1.00 0.00 C ATOM 1561 C HIS A 99 -23.240 7.814 -11.532 1.00 0.00 C ATOM 1562 O HIS A 99 -24.242 7.104 -11.508 1.00 0.00 O ATOM 1563 CB HIS A 99 -22.092 6.522 -9.668 1.00 0.00 C ATOM 1564 CG HIS A 99 -22.818 5.215 -9.828 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -24.016 4.871 -9.197 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -22.407 4.174 -10.611 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -24.300 3.629 -9.624 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -23.351 3.184 -10.468 1.00 0.00 N ATOM 0 H HIS A 99 -21.447 9.304 -10.636 1.00 0.00 H new ATOM 0 HA HIS A 99 -21.500 6.631 -11.744 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -21.113 6.331 -9.229 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -22.641 7.147 -8.964 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -21.517 4.136 -11.222 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -25.172 3.064 -9.330 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -23.335 2.271 -10.923 1.00 0.00 H new ATOM 1576 N HIS A 100 -23.250 9.057 -12.028 1.00 0.00 N ATOM 1577 CA HIS A 100 -24.462 9.708 -12.512 1.00 0.00 C ATOM 1578 C HIS A 100 -24.229 10.410 -13.848 1.00 0.00 C ATOM 1579 O HIS A 100 -25.081 11.178 -14.294 1.00 0.00 O ATOM 1580 CB HIS A 100 -24.951 10.707 -11.458 1.00 0.00 C ATOM 1581 CG HIS A 100 -25.163 10.085 -10.103 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -24.407 10.359 -8.962 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -26.121 9.161 -9.800 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -24.932 9.586 -7.997 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -25.961 8.860 -8.469 1.00 0.00 N ATOM 0 H HIS A 100 -22.414 9.636 -12.103 1.00 0.00 H new ATOM 0 HA HIS A 100 -25.223 8.946 -12.678 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -24.226 11.516 -11.370 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -25.886 11.153 -11.796 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -26.858 8.748 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -24.575 9.552 -6.978 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -26.525 8.201 -7.932 1.00 0.00 H new ATOM 1593 N SER A 101 -23.080 10.150 -14.486 1.00 0.00 N ATOM 1594 CA SER A 101 -22.698 10.771 -15.747 1.00 0.00 C ATOM 1595 C SER A 101 -21.930 9.775 -16.613 1.00 0.00 C ATOM 1596 O SER A 101 -21.047 9.080 -16.062 1.00 0.00 O ATOM 1597 CB SER A 101 -21.834 12.001 -15.478 1.00 0.00 C ATOM 1598 OG SER A 101 -22.554 12.936 -14.703 1.00 0.00 O ATOM 1599 OXT SER A 101 -22.237 9.724 -17.825 1.00 0.00 O ATOM 0 H SER A 101 -22.385 9.493 -14.131 1.00 0.00 H new ATOM 0 HA SER A 101 -23.600 11.076 -16.278 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.923 11.709 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.530 12.455 -16.421 1.00 0.00 H new ATOM 0 HG SER A 101 -21.993 13.721 -14.533 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -11.955 -3.717 -13.387 1.00 0.00 O ATOM 1607 C5' U B 102 -12.136 -4.689 -12.380 1.00 0.00 C ATOM 1608 C4' U B 102 -11.471 -4.234 -11.079 1.00 0.00 C ATOM 1609 O4' U B 102 -12.224 -3.173 -10.513 1.00 0.00 O ATOM 1610 C3' U B 102 -11.469 -5.392 -10.079 1.00 0.00 C ATOM 1611 O3' U B 102 -10.347 -5.370 -9.213 1.00 0.00 O ATOM 1612 C2' U B 102 -12.731 -5.105 -9.282 1.00 0.00 C ATOM 1613 O2' U B 102 -12.693 -5.674 -7.987 1.00 0.00 O ATOM 1614 C1' U B 102 -12.743 -3.587 -9.261 1.00 0.00 C ATOM 1615 N1 U B 102 -14.117 -3.129 -8.947 1.00 0.00 N ATOM 1616 C2 U B 102 -14.954 -2.629 -9.945 1.00 0.00 C ATOM 1617 O2 U B 102 -14.641 -2.554 -11.134 1.00 0.00 O ATOM 1618 N3 U B 102 -16.205 -2.203 -9.529 1.00 0.00 N ATOM 1619 C4 U B 102 -16.703 -2.258 -8.240 1.00 0.00 C ATOM 1620 O4 U B 102 -17.837 -1.860 -7.991 1.00 0.00 O ATOM 1621 C5 U B 102 -15.779 -2.812 -7.276 1.00 0.00 C ATOM 1622 C6 U B 102 -14.547 -3.224 -7.651 1.00 0.00 C ATOM 0 H5' U B 102 -11.710 -5.639 -12.701 1.00 0.00 H new ATOM 0 H5'' U B 102 -13.200 -4.857 -12.214 1.00 0.00 H new ATOM 0 H4' U B 102 -10.452 -3.910 -11.293 1.00 0.00 H new ATOM 0 H3' U B 102 -11.428 -6.366 -10.567 1.00 0.00 H new ATOM 0 H2' U B 102 -13.633 -5.540 -9.712 1.00 0.00 H new ATOM 0 HO2' U B 102 -13.285 -5.169 -7.390 1.00 0.00 H new ATOM 0 HO5' U B 102 -12.383 -4.020 -14.215 1.00 0.00 H new ATOM 0 H1' U B 102 -12.119 -3.137 -8.488 1.00 0.00 H new ATOM 0 H3 U B 102 -16.819 -1.811 -10.243 1.00 0.00 H new ATOM 0 H5 U B 102 -16.077 -2.898 -6.242 1.00 0.00 H new ATOM 0 H6 U B 102 -13.884 -3.640 -6.907 1.00 0.00 H new ATOM 1634 P G B 103 -8.839 -5.326 -9.769 1.00 0.00 P ATOM 1635 OP1 G B 103 -8.833 -5.771 -11.184 1.00 0.00 O ATOM 1636 OP2 G B 103 -7.953 -5.989 -8.783 1.00 0.00 O ATOM 1637 O5' G B 103 -8.564 -3.744 -9.726 1.00 0.00 O ATOM 1638 C5' G B 103 -8.539 -3.079 -8.480 1.00 0.00 C ATOM 1639 C4' G B 103 -8.356 -1.572 -8.640 1.00 0.00 C ATOM 1640 O4' G B 103 -7.059 -1.245 -9.093 1.00 0.00 O ATOM 1641 C3' G B 103 -9.356 -0.898 -9.588 1.00 0.00 C ATOM 1642 O3' G B 103 -10.297 -0.195 -8.796 1.00 0.00 O ATOM 1643 C2' G B 103 -8.454 0.018 -10.425 1.00 0.00 C ATOM 1644 O2' G B 103 -8.972 1.314 -10.630 1.00 0.00 O ATOM 1645 C1' G B 103 -7.196 0.070 -9.576 1.00 0.00 C ATOM 1646 N9 G B 103 -6.027 0.574 -10.328 1.00 0.00 N ATOM 1647 C8 G B 103 -5.647 1.881 -10.467 1.00 0.00 C ATOM 1648 N7 G B 103 -4.573 2.058 -11.188 1.00 0.00 N ATOM 1649 C5 G B 103 -4.211 0.764 -11.562 1.00 0.00 C ATOM 1650 C6 G B 103 -3.122 0.310 -12.364 1.00 0.00 C ATOM 1651 O6 G B 103 -2.249 0.976 -12.918 1.00 0.00 O ATOM 1652 N1 G B 103 -3.109 -1.071 -12.487 1.00 0.00 N ATOM 1653 C2 G B 103 -4.028 -1.916 -11.913 1.00 0.00 C ATOM 1654 N2 G B 103 -3.868 -3.219 -12.128 1.00 0.00 N ATOM 1655 N3 G B 103 -5.053 -1.500 -11.165 1.00 0.00 N ATOM 1656 C4 G B 103 -5.090 -0.151 -11.029 1.00 0.00 C ATOM 0 H5' G B 103 -7.729 -3.480 -7.871 1.00 0.00 H new ATOM 0 H5'' G B 103 -9.468 -3.277 -7.945 1.00 0.00 H new ATOM 0 H4' G B 103 -8.533 -1.191 -7.634 1.00 0.00 H new ATOM 0 H3' G B 103 -9.939 -1.560 -10.228 1.00 0.00 H new ATOM 0 H2' G B 103 -8.320 -0.358 -11.439 1.00 0.00 H new ATOM 0 HO2' G B 103 -9.867 1.250 -11.024 1.00 0.00 H new ATOM 0 H1' G B 103 -7.264 0.782 -8.754 1.00 0.00 H new ATOM 0 H8 G B 103 -6.191 2.699 -10.017 1.00 0.00 H new ATOM 0 H1 G B 103 -2.364 -1.490 -13.044 1.00 0.00 H new ATOM 0 H21 G B 103 -4.524 -3.887 -11.723 1.00 0.00 H new ATOM 0 H22 G B 103 -3.089 -3.550 -12.698 1.00 0.00 H new ATOM 1668 P G B 104 -11.664 0.411 -9.398 1.00 0.00 P ATOM 1669 OP1 G B 104 -12.775 -0.515 -9.084 1.00 0.00 O ATOM 1670 OP2 G B 104 -11.443 0.852 -10.797 1.00 0.00 O ATOM 1671 O5' G B 104 -11.852 1.711 -8.477 1.00 0.00 O ATOM 1672 C5' G B 104 -10.971 2.804 -8.587 1.00 0.00 C ATOM 1673 C4' G B 104 -11.374 3.870 -7.571 1.00 0.00 C ATOM 1674 O4' G B 104 -10.296 4.238 -6.732 1.00 0.00 O ATOM 1675 C3' G B 104 -11.852 5.137 -8.260 1.00 0.00 C ATOM 1676 O3' G B 104 -13.216 5.007 -8.614 1.00 0.00 O ATOM 1677 C2' G B 104 -11.540 6.222 -7.238 1.00 0.00 C ATOM 1678 O2' G B 104 -12.613 6.413 -6.343 1.00 0.00 O ATOM 1679 C1' G B 104 -10.327 5.641 -6.524 1.00 0.00 C ATOM 1680 N9 G B 104 -9.126 6.294 -7.066 1.00 0.00 N ATOM 1681 C8 G B 104 -8.429 7.337 -6.520 1.00 0.00 C ATOM 1682 N7 G B 104 -7.392 7.706 -7.222 1.00 0.00 N ATOM 1683 C5 G B 104 -7.400 6.830 -8.309 1.00 0.00 C ATOM 1684 C6 G B 104 -6.477 6.688 -9.385 1.00 0.00 C ATOM 1685 O6 G B 104 -5.410 7.274 -9.554 1.00 0.00 O ATOM 1686 N1 G B 104 -6.901 5.750 -10.318 1.00 0.00 N ATOM 1687 C2 G B 104 -8.034 4.985 -10.184 1.00 0.00 C ATOM 1688 N2 G B 104 -8.329 4.143 -11.174 1.00 0.00 N ATOM 1689 N3 G B 104 -8.843 5.036 -9.130 1.00 0.00 N ATOM 1690 C4 G B 104 -8.482 5.988 -8.239 1.00 0.00 C ATOM 0 H5' G B 104 -11.004 3.214 -9.596 1.00 0.00 H new ATOM 0 H5'' G B 104 -9.946 2.481 -8.407 1.00 0.00 H new ATOM 0 H4' G B 104 -12.174 3.425 -6.980 1.00 0.00 H new ATOM 0 H3' G B 104 -11.369 5.369 -9.210 1.00 0.00 H new ATOM 0 H2' G B 104 -11.367 7.203 -7.681 1.00 0.00 H new ATOM 0 HO2' G B 104 -13.415 6.671 -6.844 1.00 0.00 H new ATOM 0 H1' G B 104 -10.373 5.819 -5.450 1.00 0.00 H new ATOM 0 H8 G B 104 -8.711 7.812 -5.592 1.00 0.00 H new ATOM 0 H1 G B 104 -6.335 5.621 -11.156 1.00 0.00 H new ATOM 0 H21 G B 104 -9.162 3.557 -11.114 1.00 0.00 H new ATOM 0 H22 G B 104 -7.722 4.085 -11.992 1.00 0.00 H new ATOM 1702 P A B 105 -13.925 6.027 -9.624 1.00 0.00 P ATOM 1703 OP1 A B 105 -15.048 5.313 -10.274 1.00 0.00 O ATOM 1704 OP2 A B 105 -12.890 6.670 -10.459 1.00 0.00 O ATOM 1705 O5' A B 105 -14.547 7.138 -8.643 1.00 0.00 O ATOM 1706 C5' A B 105 -15.346 8.175 -9.175 1.00 0.00 C ATOM 1707 C4' A B 105 -15.824 9.174 -8.113 1.00 0.00 C ATOM 1708 O4' A B 105 -17.166 8.910 -7.739 1.00 0.00 O ATOM 1709 C3' A B 105 -14.997 9.127 -6.826 1.00 0.00 C ATOM 1710 O3' A B 105 -14.849 10.402 -6.202 1.00 0.00 O ATOM 1711 C2' A B 105 -15.780 8.121 -5.976 1.00 0.00 C ATOM 1712 O2' A B 105 -15.761 8.476 -4.609 1.00 0.00 O ATOM 1713 C1' A B 105 -17.199 8.151 -6.546 1.00 0.00 C ATOM 1714 N9 A B 105 -17.752 6.811 -6.832 1.00 0.00 N ATOM 1715 C8 A B 105 -17.133 5.756 -7.439 1.00 0.00 C ATOM 1716 N7 A B 105 -17.883 4.702 -7.608 1.00 0.00 N ATOM 1717 C5 A B 105 -19.098 5.083 -7.041 1.00 0.00 C ATOM 1718 C6 A B 105 -20.325 4.415 -6.877 1.00 0.00 C ATOM 1719 N6 A B 105 -20.570 3.180 -7.325 1.00 0.00 N ATOM 1720 N1 A B 105 -21.304 5.047 -6.222 1.00 0.00 N ATOM 1721 C2 A B 105 -21.087 6.272 -5.770 1.00 0.00 C ATOM 1722 N3 A B 105 -19.998 7.019 -5.881 1.00 0.00 N ATOM 1723 C4 A B 105 -19.017 6.354 -6.534 1.00 0.00 C ATOM 0 H5' A B 105 -16.213 7.739 -9.671 1.00 0.00 H new ATOM 0 H5'' A B 105 -14.778 8.708 -9.937 1.00 0.00 H new ATOM 0 H4' A B 105 -15.717 10.154 -8.579 1.00 0.00 H new ATOM 0 H3' A B 105 -13.960 8.834 -6.991 1.00 0.00 H new ATOM 0 H2' A B 105 -15.346 7.122 -6.019 1.00 0.00 H new ATOM 0 HO2' A B 105 -14.834 8.594 -4.315 1.00 0.00 H new ATOM 0 H1' A B 105 -17.852 8.593 -5.793 1.00 0.00 H new ATOM 0 H8 A B 105 -16.101 5.791 -7.755 1.00 0.00 H new ATOM 0 H61 A B 105 -21.484 2.754 -7.172 1.00 0.00 H new ATOM 0 H62 A B 105 -19.843 2.664 -7.820 1.00 0.00 H new ATOM 0 H2 A B 105 -21.910 6.725 -5.238 1.00 0.00 H new ATOM 1735 P G B 106 -15.928 11.600 -6.311 1.00 0.00 P ATOM 1736 OP1 G B 106 -17.294 11.049 -6.195 1.00 0.00 O ATOM 1737 OP2 G B 106 -15.571 12.440 -7.476 1.00 0.00 O ATOM 1738 O5' G B 106 -15.653 12.456 -4.978 1.00 0.00 O ATOM 1739 C5' G B 106 -16.268 12.085 -3.766 1.00 0.00 C ATOM 1740 C4' G B 106 -15.713 12.850 -2.562 1.00 0.00 C ATOM 1741 O4' G B 106 -14.397 12.406 -2.269 1.00 0.00 O ATOM 1742 C3' G B 106 -15.621 14.363 -2.767 1.00 0.00 C ATOM 1743 O3' G B 106 -15.694 14.997 -1.504 1.00 0.00 O ATOM 1744 C2' G B 106 -14.234 14.509 -3.386 1.00 0.00 C ATOM 1745 O2' G B 106 -13.606 15.711 -3.006 1.00 0.00 O ATOM 1746 C1' G B 106 -13.467 13.299 -2.857 1.00 0.00 C ATOM 1747 N9 G B 106 -12.650 12.655 -3.903 1.00 0.00 N ATOM 1748 C8 G B 106 -12.731 12.725 -5.272 1.00 0.00 C ATOM 1749 N7 G B 106 -11.814 12.044 -5.897 1.00 0.00 N ATOM 1750 C5 G B 106 -11.067 11.473 -4.872 1.00 0.00 C ATOM 1751 C6 G B 106 -9.916 10.631 -4.926 1.00 0.00 C ATOM 1752 O6 G B 106 -9.326 10.206 -5.918 1.00 0.00 O ATOM 1753 N1 G B 106 -9.464 10.290 -3.660 1.00 0.00 N ATOM 1754 C2 G B 106 -10.039 10.718 -2.489 1.00 0.00 C ATOM 1755 N2 G B 106 -9.483 10.302 -1.357 1.00 0.00 N ATOM 1756 N3 G B 106 -11.104 11.517 -2.423 1.00 0.00 N ATOM 1757 C4 G B 106 -11.570 11.845 -3.652 1.00 0.00 C ATOM 0 H5' G B 106 -16.130 11.016 -3.606 1.00 0.00 H new ATOM 0 H5'' G B 106 -17.341 12.261 -3.839 1.00 0.00 H new ATOM 0 H4' G B 106 -16.418 12.651 -1.755 1.00 0.00 H new ATOM 0 H3' G B 106 -16.408 14.803 -3.380 1.00 0.00 H new ATOM 0 H2' G B 106 -14.276 14.546 -4.475 1.00 0.00 H new ATOM 0 HO2' G B 106 -13.541 16.306 -3.782 1.00 0.00 H new ATOM 0 H1' G B 106 -12.753 13.623 -2.100 1.00 0.00 H new ATOM 0 H8 G B 106 -13.490 13.296 -5.786 1.00 0.00 H new ATOM 0 H1 G B 106 -8.649 9.680 -3.594 1.00 0.00 H new ATOM 0 H21 G B 106 -9.873 10.592 -0.460 1.00 0.00 H new ATOM 0 H22 G B 106 -8.666 9.692 -1.384 1.00 0.00 H new ATOM 1769 P U B 107 -16.938 15.946 -1.131 1.00 0.00 P ATOM 1770 OP1 U B 107 -16.821 16.349 0.291 1.00 0.00 O ATOM 1771 OP2 U B 107 -18.183 15.308 -1.615 1.00 0.00 O ATOM 1772 O5' U B 107 -16.628 17.227 -2.051 1.00 0.00 O ATOM 1773 C5' U B 107 -15.426 17.943 -1.874 1.00 0.00 C ATOM 1774 C4' U B 107 -14.901 18.501 -3.206 1.00 0.00 C ATOM 1775 O4' U B 107 -15.266 17.638 -4.276 1.00 0.00 O ATOM 1776 C3' U B 107 -15.479 19.877 -3.517 1.00 0.00 C ATOM 1777 O3' U B 107 -14.647 20.575 -4.421 1.00 0.00 O ATOM 1778 C2' U B 107 -16.771 19.432 -4.168 1.00 0.00 C ATOM 1779 O2' U B 107 -17.422 20.470 -4.875 1.00 0.00 O ATOM 1780 C1' U B 107 -16.243 18.309 -5.054 1.00 0.00 C ATOM 1781 N1 U B 107 -17.300 17.395 -5.543 1.00 0.00 N ATOM 1782 C2 U B 107 -17.269 17.047 -6.885 1.00 0.00 C ATOM 1783 O2 U B 107 -16.381 17.426 -7.645 1.00 0.00 O ATOM 1784 N3 U B 107 -18.300 16.239 -7.336 1.00 0.00 N ATOM 1785 C4 U B 107 -19.340 15.749 -6.567 1.00 0.00 C ATOM 1786 O4 U B 107 -20.216 15.050 -7.074 1.00 0.00 O ATOM 1787 C5 U B 107 -19.276 16.132 -5.174 1.00 0.00 C ATOM 1788 C6 U B 107 -18.282 16.926 -4.711 1.00 0.00 C ATOM 0 H5' U B 107 -14.674 17.290 -1.430 1.00 0.00 H new ATOM 0 H5'' U B 107 -15.589 18.763 -1.174 1.00 0.00 H new ATOM 0 H4' U B 107 -13.818 18.576 -3.107 1.00 0.00 H new ATOM 0 H3' U B 107 -15.590 20.560 -2.675 1.00 0.00 H new ATOM 0 H2' U B 107 -17.556 19.123 -3.478 1.00 0.00 H new ATOM 0 HO2' U B 107 -18.192 20.104 -5.358 1.00 0.00 H new ATOM 0 HO3' U B 107 -15.180 20.888 -5.181 1.00 0.00 H new ATOM 0 H1' U B 107 -15.817 18.715 -5.971 1.00 0.00 H new ATOM 0 H3 U B 107 -18.291 15.983 -8.323 1.00 0.00 H new ATOM 0 H5 U B 107 -20.034 15.778 -4.491 1.00 0.00 H new ATOM 0 H6 U B 107 -18.263 17.195 -3.665 1.00 0.00 H new TER 1800 U B 107