USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=54 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 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 NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 183 NAG O3 : rot -149:sc= -0.832 USER MOD Set 1.2: A 186 GAL O2 : rot 180:sc= 0.0503 USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 SER OG : rot 95:sc= 0.422 USER MOD Set 3.1: A 85 SER OG : rot 66:sc= 1.16 USER MOD Set 3.2: A 86 THR OG1 : rot 77:sc= -1.24! USER MOD Single : A 1 ALA N :NH3+ -155:sc= 0 (180deg=-0.18) USER MOD Single : A 5 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.3!) USER MOD Single : A 11 THR OG1 : rot -60:sc= 0.174 USER MOD Single : A 13 GLN : amide:sc= -2.35! C(o=-2.3!,f=-2.3!) USER MOD Single : A 15 ASN :FLIP amide:sc= -15.9! C(o=-19!,f=-16!) USER MOD Single : A 19 SER OG : rot -55:sc= 1 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0801 F(o=-1.4,f=-0.08) USER MOD Single : A 27 GLN : amide:sc= -0.0474 X(o=-0.047,f=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -2.75! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -3:sc= 0.702 USER MOD Single : A 47 MET CE :methyl -154:sc= -0.045 (180deg=-0.539) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.167 F(o=-1.6!,f=-0.17) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc=-0.000346 (180deg=-0.444) USER MOD Single : A 52 ASN : amide:sc= -0.0809 X(o=-0.081,f=0) USER MOD Single : A 54 THR OG1 : rot 20:sc= 1.68 USER MOD Single : A 55 SER OG : rot -137:sc= -0.494 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 135:sc= -6.75! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 20:sc= 0.00158 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.228 K(o=-0.23,f=-2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -163:sc= -4.25! (180deg=-5.92!) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0.169 (180deg=-0.41) USER MOD Single : A 79 HIS : no HD1:sc= -13.9! C(o=-14!,f=-19!) USER MOD Single : A 80 THR OG1 : rot 106:sc= -3.57! USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.6 F(o=-3.4!,f=-2.6) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.3) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= -0.0526 (180deg=-0.528) USER MOD Single : A 178 NAG O3 : rot 129:sc= 0.0424 USER MOD Single : A 178 NAG O6 : rot 38:sc= 0.0216 USER MOD Single : A 179 NAG O3 : rot 180:sc= 0 USER MOD Single : A 179 NAG O6 : rot 180:sc= -0.0345 USER MOD Single : A 180 BMA O2 : rot 144:sc= 0.0838 USER MOD Single : A 180 BMA O4 : rot 160:sc= -3.15! USER MOD Single : A 181 MAN O3 : rot 37:sc= 0.0738 USER MOD Single : A 181 MAN O4 : rot -152:sc= 0.958 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.86 USER MOD Single : A 182 MAN O3 : rot 20:sc= 0.0858 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 31:sc= 0.0095 USER MOD Single : A 183 NAG O6 : rot -31:sc= 0.00411 USER MOD Single : A 184 NAG O3 : rot 130:sc= -0.12 USER MOD Single : A 184 NAG O6 : rot 18:sc= 1.05 USER MOD Single : A 185 GAL O2 : rot 26:sc= 0.00154 USER MOD Single : A 185 GAL O3 : rot 88:sc= 0.0687 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0895 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 99:sc= 0.0742 USER MOD Single : A 186 GAL O4 : rot 91:sc= 0.0856 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.030 -15.670 -22.377 1.00 0.00 N ATOM 2 CA ALA A 1 -5.837 -15.567 -21.500 1.00 0.00 C ATOM 3 C ALA A 1 -6.115 -16.185 -20.134 1.00 0.00 C ATOM 4 O ALA A 1 -6.408 -15.478 -19.169 1.00 0.00 O ATOM 5 CB ALA A 1 -5.418 -14.112 -21.348 1.00 0.00 C ATOM 0 H1 ALA A 1 -6.731 -15.652 -23.373 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.529 -16.561 -22.181 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.667 -14.869 -22.192 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.021 -16.120 -21.965 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.542 -14.051 -20.702 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.176 -13.699 -22.327 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.235 -13.542 -20.905 1.00 0.00 H new ATOM 13 N PRO A 2 -6.028 -17.519 -20.040 1.00 0.00 N ATOM 14 CA PRO A 2 -6.272 -18.244 -18.797 1.00 0.00 C ATOM 15 C PRO A 2 -5.733 -17.506 -17.576 1.00 0.00 C ATOM 16 O PRO A 2 -6.366 -17.492 -16.521 1.00 0.00 O ATOM 17 CB PRO A 2 -5.517 -19.551 -19.018 1.00 0.00 C ATOM 18 CG PRO A 2 -5.585 -19.786 -20.491 1.00 0.00 C ATOM 19 CD PRO A 2 -5.684 -18.429 -21.149 1.00 0.00 C ATOM 0 HA PRO A 2 -7.335 -18.374 -18.592 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.485 -19.474 -18.677 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.975 -20.371 -18.465 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.700 -20.320 -20.838 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.448 -20.402 -20.744 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.744 -18.145 -21.621 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.448 -18.417 -21.927 1.00 0.00 H new ATOM 27 N ASP A 3 -4.564 -16.894 -17.726 1.00 0.00 N ATOM 28 CA ASP A 3 -3.943 -16.153 -16.635 1.00 0.00 C ATOM 29 C ASP A 3 -4.211 -16.829 -15.293 1.00 0.00 C ATOM 30 O ASP A 3 -4.519 -18.020 -15.238 1.00 0.00 O ATOM 31 CB ASP A 3 -4.464 -14.714 -16.611 1.00 0.00 C ATOM 32 CG ASP A 3 -3.344 -13.693 -16.640 1.00 0.00 C ATOM 33 OD1 ASP A 3 -2.677 -13.572 -17.689 1.00 0.00 O ATOM 34 OD2 ASP A 3 -3.134 -13.014 -15.613 1.00 0.00 O ATOM 0 H ASP A 3 -4.027 -16.896 -18.593 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.866 -16.140 -16.802 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.120 -14.554 -17.467 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.066 -14.563 -15.715 1.00 0.00 H new ATOM 39 N VAL A 4 -4.090 -16.063 -14.216 1.00 0.00 N ATOM 40 CA VAL A 4 -4.318 -16.587 -12.874 1.00 0.00 C ATOM 41 C VAL A 4 -5.588 -16.005 -12.266 1.00 0.00 C ATOM 42 O VAL A 4 -5.940 -14.854 -12.525 1.00 0.00 O ATOM 43 CB VAL A 4 -3.129 -16.279 -11.943 1.00 0.00 C ATOM 44 CG1 VAL A 4 -3.346 -16.897 -10.571 1.00 0.00 C ATOM 45 CG2 VAL A 4 -1.830 -16.776 -12.558 1.00 0.00 C ATOM 0 H VAL A 4 -3.835 -15.076 -14.245 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.426 -17.667 -12.969 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.059 -15.198 -11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.495 -16.667 -9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.255 -16.489 -10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.444 -17.978 -10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.000 -16.551 -11.888 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.889 -17.853 -12.712 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.668 -16.281 -13.515 1.00 0.00 H new ATOM 55 N GLN A 5 -6.272 -16.805 -11.455 1.00 0.00 N ATOM 56 CA GLN A 5 -7.503 -16.366 -10.809 1.00 0.00 C ATOM 57 C GLN A 5 -7.275 -16.113 -9.323 1.00 0.00 C ATOM 58 O GLN A 5 -7.574 -16.965 -8.488 1.00 0.00 O ATOM 59 CB GLN A 5 -8.604 -17.413 -10.987 1.00 0.00 C ATOM 60 CG GLN A 5 -8.969 -17.680 -12.437 1.00 0.00 C ATOM 61 CD GLN A 5 -10.426 -18.058 -12.609 1.00 0.00 C ATOM 62 OE1 GLN A 5 -11.262 -17.759 -11.756 1.00 0.00 O ATOM 63 NE2 GLN A 5 -10.737 -18.722 -13.716 1.00 0.00 N ATOM 0 H GLN A 5 -5.995 -17.760 -11.230 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.815 -15.434 -11.281 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.282 -18.347 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.495 -17.084 -10.453 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.755 -16.792 -13.032 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.341 -18.482 -12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.011 -18.948 -14.396 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.702 -19.006 -13.887 1.00 0.00 H new ATOM 72 N ASP A 6 -6.745 -14.939 -8.995 1.00 0.00 N ATOM 73 CA ASP A 6 -6.484 -14.592 -7.603 1.00 0.00 C ATOM 74 C ASP A 6 -5.502 -13.428 -7.499 1.00 0.00 C ATOM 75 O ASP A 6 -4.747 -13.153 -8.433 1.00 0.00 O ATOM 76 CB ASP A 6 -5.938 -15.813 -6.856 1.00 0.00 C ATOM 77 CG ASP A 6 -4.857 -15.453 -5.853 1.00 0.00 C ATOM 78 OD1 ASP A 6 -3.773 -15.005 -6.283 1.00 0.00 O ATOM 79 OD2 ASP A 6 -5.095 -15.618 -4.638 1.00 0.00 O ATOM 0 H ASP A 6 -6.490 -14.217 -9.669 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.423 -14.280 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.757 -16.312 -6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.536 -16.525 -7.577 1.00 0.00 H new ATOM 84 N CYS A 7 -5.513 -12.757 -6.353 1.00 0.00 N ATOM 85 CA CYS A 7 -4.621 -11.629 -6.117 1.00 0.00 C ATOM 86 C CYS A 7 -4.934 -10.955 -4.788 1.00 0.00 C ATOM 87 O CYS A 7 -6.078 -10.954 -4.331 1.00 0.00 O ATOM 88 CB CYS A 7 -4.730 -10.607 -7.255 1.00 0.00 C ATOM 89 SG CYS A 7 -5.872 -9.222 -6.919 1.00 0.00 S ATOM 0 H CYS A 7 -6.131 -12.975 -5.572 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.602 -12.013 -6.081 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.739 -10.203 -7.460 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.058 -11.121 -8.158 1.00 0.00 H new ATOM 94 N PRO A 8 -3.916 -10.350 -4.164 1.00 0.00 N ATOM 95 CA PRO A 8 -4.071 -9.643 -2.900 1.00 0.00 C ATOM 96 C PRO A 8 -4.614 -8.243 -3.140 1.00 0.00 C ATOM 97 O PRO A 8 -5.663 -8.080 -3.760 1.00 0.00 O ATOM 98 CB PRO A 8 -2.638 -9.613 -2.369 1.00 0.00 C ATOM 99 CG PRO A 8 -1.805 -9.495 -3.597 1.00 0.00 C ATOM 100 CD PRO A 8 -2.528 -10.281 -4.664 1.00 0.00 C ATOM 0 HA PRO A 8 -4.773 -10.108 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.479 -8.771 -1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.400 -10.518 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.689 -8.452 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.804 -9.893 -3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.475 -9.784 -5.633 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.098 -11.274 -4.791 1.00 0.00 H new ATOM 108 N GLU A 9 -3.893 -7.240 -2.672 1.00 0.00 N ATOM 109 CA GLU A 9 -4.300 -5.857 -2.867 1.00 0.00 C ATOM 110 C GLU A 9 -3.090 -4.950 -2.955 1.00 0.00 C ATOM 111 O GLU A 9 -1.951 -5.410 -2.942 1.00 0.00 O ATOM 112 CB GLU A 9 -5.205 -5.381 -1.737 1.00 0.00 C ATOM 113 CG GLU A 9 -6.674 -5.690 -1.963 1.00 0.00 C ATOM 114 CD GLU A 9 -7.169 -6.833 -1.098 1.00 0.00 C ATOM 115 OE1 GLU A 9 -6.663 -6.983 0.035 1.00 0.00 O ATOM 116 OE2 GLU A 9 -8.062 -7.578 -1.553 1.00 0.00 O ATOM 0 H GLU A 9 -3.022 -7.356 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.855 -5.812 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.884 -5.846 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.083 -4.305 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.265 -4.799 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.832 -5.939 -3.012 1.00 0.00 H new ATOM 123 N CYS A 10 -3.350 -3.658 -3.045 1.00 0.00 N ATOM 124 CA CYS A 10 -2.292 -2.675 -3.133 1.00 0.00 C ATOM 125 C CYS A 10 -1.232 -2.958 -2.070 1.00 0.00 C ATOM 126 O CYS A 10 -1.287 -2.425 -0.962 1.00 0.00 O ATOM 127 CB CYS A 10 -2.891 -1.270 -2.973 1.00 0.00 C ATOM 128 SG CYS A 10 -1.836 -0.071 -2.095 1.00 0.00 S ATOM 0 H CYS A 10 -4.292 -3.266 -3.059 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.808 -2.732 -4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.117 -0.874 -3.963 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.838 -1.355 -2.440 1.00 0.00 H new ATOM 133 N THR A 11 -0.279 -3.824 -2.413 1.00 0.00 N ATOM 134 CA THR A 11 0.781 -4.201 -1.485 1.00 0.00 C ATOM 135 C THR A 11 2.141 -3.743 -1.982 1.00 0.00 C ATOM 136 O THR A 11 2.344 -3.557 -3.178 1.00 0.00 O ATOM 137 CB THR A 11 0.808 -5.716 -1.289 1.00 0.00 C ATOM 138 OG1 THR A 11 -0.048 -6.363 -2.212 1.00 0.00 O ATOM 139 CG2 THR A 11 0.397 -6.147 0.096 1.00 0.00 C ATOM 0 H THR A 11 -0.221 -4.276 -3.326 1.00 0.00 H new ATOM 0 HA THR A 11 0.569 -3.710 -0.535 1.00 0.00 H new ATOM 0 HB THR A 11 1.847 -6.004 -1.449 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.966 -6.043 -2.087 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.439 -7.234 0.166 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.075 -5.710 0.829 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.620 -5.809 0.295 1.00 0.00 H new ATOM 147 N LEU A 12 3.071 -3.580 -1.052 1.00 0.00 N ATOM 148 CA LEU A 12 4.421 -3.155 -1.389 1.00 0.00 C ATOM 149 C LEU A 12 5.008 -4.014 -2.488 1.00 0.00 C ATOM 150 O LEU A 12 5.105 -5.234 -2.356 1.00 0.00 O ATOM 151 CB LEU A 12 5.318 -3.225 -0.168 1.00 0.00 C ATOM 152 CG LEU A 12 5.207 -2.033 0.767 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.185 -2.307 1.862 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.568 -1.733 1.357 1.00 0.00 C ATOM 0 H LEU A 12 2.914 -3.736 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 12 4.363 -2.125 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.081 -4.131 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.353 -3.316 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 12 4.865 -1.163 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.119 -1.442 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.210 -2.495 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.493 -3.180 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.493 -0.878 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.923 -2.601 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.270 -1.504 0.555 1.00 0.00 H new ATOM 166 N GLN A 13 5.412 -3.371 -3.568 1.00 0.00 N ATOM 167 CA GLN A 13 6.004 -4.085 -4.679 1.00 0.00 C ATOM 168 C GLN A 13 7.371 -3.549 -4.994 1.00 0.00 C ATOM 169 O GLN A 13 7.642 -3.040 -6.080 1.00 0.00 O ATOM 170 CB GLN A 13 5.114 -4.022 -5.885 1.00 0.00 C ATOM 171 CG GLN A 13 3.681 -4.362 -5.548 1.00 0.00 C ATOM 172 CD GLN A 13 3.216 -5.655 -6.187 1.00 0.00 C ATOM 173 OE1 GLN A 13 3.070 -5.742 -7.406 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.981 -6.669 -5.360 1.00 0.00 N ATOM 0 H GLN A 13 5.341 -2.362 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 13 6.112 -5.131 -4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.158 -3.022 -6.316 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.482 -4.713 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.576 -4.439 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.033 -3.548 -5.874 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.116 -6.550 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.666 -7.566 -5.730 1.00 0.00 H new ATOM 183 N GLU A 14 8.202 -3.683 -3.996 1.00 0.00 N ATOM 184 CA GLU A 14 9.592 -3.245 -4.026 1.00 0.00 C ATOM 185 C GLU A 14 9.914 -2.437 -5.267 1.00 0.00 C ATOM 186 O GLU A 14 9.686 -2.863 -6.398 1.00 0.00 O ATOM 187 CB GLU A 14 10.545 -4.428 -3.924 1.00 0.00 C ATOM 188 CG GLU A 14 12.011 -4.025 -3.857 1.00 0.00 C ATOM 189 CD GLU A 14 12.939 -5.121 -4.344 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.624 -5.751 -5.377 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.980 -5.352 -3.694 1.00 0.00 O ATOM 0 H GLU A 14 7.934 -4.111 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 14 9.729 -2.599 -3.158 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.296 -5.009 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.395 -5.080 -4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.166 -3.129 -4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.267 -3.767 -2.829 1.00 0.00 H new ATOM 198 N ASN A 15 10.463 -1.272 -5.023 1.00 0.00 N ATOM 199 CA ASN A 15 10.851 -0.354 -6.073 1.00 0.00 C ATOM 200 C ASN A 15 11.685 -1.054 -7.138 1.00 0.00 C ATOM 201 O ASN A 15 12.674 -1.717 -6.828 1.00 0.00 O ATOM 202 CB ASN A 15 11.645 0.788 -5.473 1.00 0.00 C ATOM 203 CG ASN A 15 11.139 2.139 -5.908 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.735 3.181 -5.355 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 10.230 2.246 -6.730 1.00 0.00 N flip ATOM 0 H ASN A 15 10.656 -0.929 -4.082 1.00 0.00 H new ATOM 0 HA ASN A 15 9.947 0.028 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.604 0.722 -4.386 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.692 0.687 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.802 1.410 -7.128 1.00 0.00 H new ATOM 0 HD22 ASN A 15 9.905 3.170 -7.013 1.00 0.00 H new ATOM 212 N PRO A 16 11.305 -0.901 -8.412 1.00 0.00 N ATOM 213 CA PRO A 16 12.026 -1.504 -9.523 1.00 0.00 C ATOM 214 C PRO A 16 13.174 -0.620 -9.989 1.00 0.00 C ATOM 215 O PRO A 16 13.565 -0.648 -11.157 1.00 0.00 O ATOM 216 CB PRO A 16 10.948 -1.611 -10.595 1.00 0.00 C ATOM 217 CG PRO A 16 10.058 -0.436 -10.351 1.00 0.00 C ATOM 218 CD PRO A 16 10.148 -0.117 -8.874 1.00 0.00 C ATOM 0 HA PRO A 16 12.489 -2.458 -9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.379 -1.581 -11.596 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.398 -2.549 -10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.373 0.418 -10.951 1.00 0.00 H new ATOM 0 HG3 PRO A 16 9.031 -0.664 -10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.295 0.950 -8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.237 -0.401 -8.348 1.00 0.00 H new ATOM 226 N PHE A 17 13.702 0.173 -9.062 1.00 0.00 N ATOM 227 CA PHE A 17 14.799 1.081 -9.360 1.00 0.00 C ATOM 228 C PHE A 17 15.764 1.170 -8.188 1.00 0.00 C ATOM 229 O PHE A 17 16.974 0.996 -8.342 1.00 0.00 O ATOM 230 CB PHE A 17 14.259 2.476 -9.659 1.00 0.00 C ATOM 231 CG PHE A 17 15.323 3.436 -10.102 1.00 0.00 C ATOM 232 CD1 PHE A 17 16.047 4.168 -9.175 1.00 0.00 C ATOM 233 CD2 PHE A 17 15.602 3.596 -11.447 1.00 0.00 C ATOM 234 CE1 PHE A 17 17.032 5.047 -9.587 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.585 4.472 -11.865 1.00 0.00 C ATOM 236 CZ PHE A 17 17.301 5.199 -10.934 1.00 0.00 C ATOM 0 H PHE A 17 13.384 0.203 -8.093 1.00 0.00 H new ATOM 0 HA PHE A 17 15.328 0.692 -10.230 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.496 2.405 -10.434 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.772 2.869 -8.767 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.840 4.051 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 17 15.045 3.030 -12.179 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.590 5.614 -8.857 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.793 4.588 -12.918 1.00 0.00 H new ATOM 0 HZ PHE A 17 18.070 5.885 -11.258 1.00 0.00 H new ATOM 246 N PHE A 18 15.212 1.459 -7.017 1.00 0.00 N ATOM 247 CA PHE A 18 16.003 1.597 -5.804 1.00 0.00 C ATOM 248 C PHE A 18 16.453 0.241 -5.281 1.00 0.00 C ATOM 249 O PHE A 18 17.344 0.157 -4.437 1.00 0.00 O ATOM 250 CB PHE A 18 15.187 2.312 -4.730 1.00 0.00 C ATOM 251 CG PHE A 18 15.958 3.379 -4.010 1.00 0.00 C ATOM 252 CD1 PHE A 18 17.108 3.060 -3.313 1.00 0.00 C ATOM 253 CD2 PHE A 18 15.539 4.697 -4.042 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.834 4.038 -2.659 1.00 0.00 C ATOM 255 CE2 PHE A 18 16.258 5.682 -3.390 1.00 0.00 C ATOM 256 CZ PHE A 18 17.408 5.352 -2.699 1.00 0.00 C ATOM 0 H PHE A 18 14.211 1.603 -6.883 1.00 0.00 H new ATOM 0 HA PHE A 18 16.889 2.184 -6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.306 2.759 -5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.832 1.579 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.444 2.034 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.641 4.959 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.731 3.776 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 18 15.921 6.708 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.973 6.120 -2.191 1.00 0.00 H new ATOM 266 N SER A 19 15.826 -0.814 -5.778 1.00 0.00 N ATOM 267 CA SER A 19 16.157 -2.166 -5.352 1.00 0.00 C ATOM 268 C SER A 19 17.641 -2.460 -5.544 1.00 0.00 C ATOM 269 O SER A 19 18.059 -2.897 -6.616 1.00 0.00 O ATOM 270 CB SER A 19 15.320 -3.183 -6.129 1.00 0.00 C ATOM 271 OG SER A 19 16.141 -4.189 -6.697 1.00 0.00 O ATOM 0 H SER A 19 15.085 -0.761 -6.477 1.00 0.00 H new ATOM 0 HA SER A 19 15.929 -2.247 -4.289 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.587 -3.640 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.763 -2.675 -6.917 1.00 0.00 H new ATOM 0 HG SER A 19 16.832 -3.772 -7.253 1.00 0.00 H new ATOM 277 N GLN A 20 18.437 -2.224 -4.503 1.00 0.00 N ATOM 278 CA GLN A 20 19.873 -2.476 -4.581 1.00 0.00 C ATOM 279 C GLN A 20 20.314 -3.483 -3.521 1.00 0.00 C ATOM 280 O GLN A 20 19.570 -3.786 -2.588 1.00 0.00 O ATOM 281 CB GLN A 20 20.653 -1.172 -4.414 1.00 0.00 C ATOM 282 CG GLN A 20 20.339 -0.132 -5.477 1.00 0.00 C ATOM 283 CD GLN A 20 21.463 0.030 -6.483 1.00 0.00 C ATOM 284 OE1 GLN A 20 22.114 -1.076 -6.824 1.00 0.00 O flip ATOM 285 NE2 GLN A 20 21.743 1.136 -6.946 1.00 0.00 N flip ATOM 0 H GLN A 20 18.116 -1.862 -3.605 1.00 0.00 H new ATOM 0 HA GLN A 20 20.085 -2.896 -5.564 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.435 -0.752 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.720 -1.392 -4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.426 -0.416 -6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.145 0.827 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.215 1.959 -6.655 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.502 1.229 -7.621 1.00 0.00 H new ATOM 294 N PRO A 21 21.541 -4.012 -3.657 1.00 0.00 N ATOM 295 CA PRO A 21 22.100 -4.990 -2.713 1.00 0.00 C ATOM 296 C PRO A 21 22.175 -4.442 -1.294 1.00 0.00 C ATOM 297 O PRO A 21 23.262 -4.272 -0.740 1.00 0.00 O ATOM 298 CB PRO A 21 23.511 -5.251 -3.251 1.00 0.00 C ATOM 299 CG PRO A 21 23.467 -4.827 -4.678 1.00 0.00 C ATOM 300 CD PRO A 21 22.480 -3.697 -4.744 1.00 0.00 C ATOM 0 HA PRO A 21 21.482 -5.886 -2.648 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.256 -4.683 -2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.779 -6.304 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.451 -4.506 -5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 21 23.159 -5.652 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.962 -2.731 -4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.978 -3.655 -5.711 1.00 0.00 H new ATOM 308 N GLY A 22 21.016 -4.162 -0.714 1.00 0.00 N ATOM 309 CA GLY A 22 20.972 -3.630 0.633 1.00 0.00 C ATOM 310 C GLY A 22 19.844 -2.640 0.824 1.00 0.00 C ATOM 311 O GLY A 22 19.555 -2.230 1.948 1.00 0.00 O ATOM 0 H GLY A 22 20.105 -4.294 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.856 -4.450 1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.921 -3.144 0.860 1.00 0.00 H new ATOM 315 N ALA A 23 19.208 -2.252 -0.274 1.00 0.00 N ATOM 316 CA ALA A 23 18.108 -1.298 -0.212 1.00 0.00 C ATOM 317 C ALA A 23 17.146 -1.476 -1.362 1.00 0.00 C ATOM 318 O ALA A 23 17.384 -1.036 -2.485 1.00 0.00 O ATOM 319 CB ALA A 23 18.642 0.119 -0.173 1.00 0.00 C ATOM 0 H ALA A 23 19.433 -2.581 -1.213 1.00 0.00 H new ATOM 0 HA ALA A 23 17.553 -1.490 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.809 0.821 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.273 0.246 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.229 0.311 -1.071 1.00 0.00 H new ATOM 325 N PRO A 24 16.054 -2.168 -1.071 1.00 0.00 N ATOM 326 CA PRO A 24 15.013 -2.494 -2.005 1.00 0.00 C ATOM 327 C PRO A 24 13.738 -1.706 -1.779 1.00 0.00 C ATOM 328 O PRO A 24 12.739 -2.249 -1.309 1.00 0.00 O ATOM 329 CB PRO A 24 14.807 -3.961 -1.654 1.00 0.00 C ATOM 330 CG PRO A 24 15.069 -4.040 -0.170 1.00 0.00 C ATOM 331 CD PRO A 24 15.750 -2.758 0.224 1.00 0.00 C ATOM 0 HA PRO A 24 15.266 -2.276 -3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.796 -4.288 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.491 -4.601 -2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.137 -4.167 0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.697 -4.899 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.101 -2.118 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.650 -2.938 0.812 1.00 0.00 H new ATOM 339 N ILE A 25 13.777 -0.426 -2.122 1.00 0.00 N ATOM 340 CA ILE A 25 12.636 0.437 -1.975 1.00 0.00 C ATOM 341 C ILE A 25 11.338 -0.258 -2.357 1.00 0.00 C ATOM 342 O ILE A 25 11.317 -1.457 -2.626 1.00 0.00 O ATOM 343 CB ILE A 25 12.835 1.690 -2.816 1.00 0.00 C ATOM 344 CG1 ILE A 25 13.957 2.491 -2.208 1.00 0.00 C ATOM 345 CG2 ILE A 25 11.568 2.513 -2.820 1.00 0.00 C ATOM 346 CD1 ILE A 25 13.696 2.748 -0.753 1.00 0.00 C ATOM 0 H ILE A 25 14.602 0.033 -2.508 1.00 0.00 H new ATOM 0 HA ILE A 25 12.554 0.709 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 25 13.077 1.417 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 25 14.899 1.954 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.062 3.438 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.718 3.408 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.753 1.924 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.318 2.802 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.518 3.328 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.766 3.305 -0.643 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.615 1.798 -0.225 1.00 0.00 H new ATOM 358 N LEU A 26 10.240 0.487 -2.312 1.00 0.00 N ATOM 359 CA LEU A 26 8.938 -0.080 -2.577 1.00 0.00 C ATOM 360 C LEU A 26 7.972 0.885 -3.208 1.00 0.00 C ATOM 361 O LEU A 26 8.341 1.897 -3.797 1.00 0.00 O ATOM 362 CB LEU A 26 8.385 -0.508 -1.245 1.00 0.00 C ATOM 363 CG LEU A 26 9.409 -0.413 -0.143 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.787 0.160 1.111 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.054 -1.766 0.119 1.00 0.00 C ATOM 0 H LEU A 26 10.233 1.483 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 26 9.057 -0.899 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.526 0.114 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.025 -1.535 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 26 10.199 0.266 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.541 0.221 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.399 1.157 0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.972 -0.485 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.789 -1.670 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.288 -2.483 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.548 -2.115 -0.788 1.00 0.00 H new ATOM 377 N GLN A 27 6.719 0.526 -3.057 1.00 0.00 N ATOM 378 CA GLN A 27 5.614 1.316 -3.581 1.00 0.00 C ATOM 379 C GLN A 27 4.353 0.467 -3.707 1.00 0.00 C ATOM 380 O GLN A 27 3.969 0.061 -4.803 1.00 0.00 O ATOM 381 CB GLN A 27 5.992 1.921 -4.933 1.00 0.00 C ATOM 382 CG GLN A 27 4.819 2.544 -5.670 1.00 0.00 C ATOM 383 CD GLN A 27 4.629 4.009 -5.330 1.00 0.00 C ATOM 384 OE1 GLN A 27 3.609 4.397 -4.761 1.00 0.00 O ATOM 385 NE2 GLN A 27 5.612 4.832 -5.677 1.00 0.00 N ATOM 0 H GLN A 27 6.430 -0.321 -2.568 1.00 0.00 H new ATOM 0 HA GLN A 27 5.407 2.126 -2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.759 2.680 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.432 1.145 -5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.973 2.441 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 27 3.909 1.997 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.440 4.467 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.539 5.829 -5.473 1.00 0.00 H new ATOM 394 N CYS A 28 3.726 0.198 -2.565 1.00 0.00 N ATOM 395 CA CYS A 28 2.510 -0.610 -2.511 1.00 0.00 C ATOM 396 C CYS A 28 1.776 -0.614 -3.853 1.00 0.00 C ATOM 397 O CYS A 28 1.228 0.405 -4.273 1.00 0.00 O ATOM 398 CB CYS A 28 1.566 -0.102 -1.420 1.00 0.00 C ATOM 399 SG CYS A 28 1.858 -0.841 0.221 1.00 0.00 S ATOM 0 H CYS A 28 4.044 0.532 -1.655 1.00 0.00 H new ATOM 0 HA CYS A 28 2.816 -1.630 -2.279 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.667 0.981 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.538 -0.305 -1.720 1.00 0.00 H new ATOM 404 N MET A 29 1.764 -1.766 -4.517 1.00 0.00 N ATOM 405 CA MET A 29 1.091 -1.903 -5.805 1.00 0.00 C ATOM 406 C MET A 29 0.466 -3.290 -5.941 1.00 0.00 C ATOM 407 O MET A 29 1.124 -4.299 -5.698 1.00 0.00 O ATOM 408 CB MET A 29 2.080 -1.665 -6.949 1.00 0.00 C ATOM 409 CG MET A 29 1.936 -0.307 -7.616 1.00 0.00 C ATOM 410 SD MET A 29 3.104 -0.075 -8.973 1.00 0.00 S ATOM 411 CE MET A 29 2.007 0.443 -10.290 1.00 0.00 C ATOM 0 H MET A 29 2.213 -2.619 -4.184 1.00 0.00 H new ATOM 0 HA MET A 29 0.299 -1.156 -5.857 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.095 -1.764 -6.565 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.946 -2.444 -7.700 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.919 -0.197 -7.993 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.087 0.477 -6.873 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.586 0.624 -11.196 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.272 -0.339 -10.480 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.495 1.360 -9.997 1.00 0.00 H new ATOM 421 N GLY A 30 -0.806 -3.338 -6.329 1.00 0.00 N ATOM 422 CA GLY A 30 -1.474 -4.618 -6.483 1.00 0.00 C ATOM 423 C GLY A 30 -2.959 -4.496 -6.769 1.00 0.00 C ATOM 424 O GLY A 30 -3.361 -3.987 -7.815 1.00 0.00 O ATOM 0 H GLY A 30 -1.381 -2.522 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.000 -5.171 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.334 -5.203 -5.574 1.00 0.00 H new ATOM 428 N CYS A 31 -3.774 -4.982 -5.837 1.00 0.00 N ATOM 429 CA CYS A 31 -5.229 -4.949 -5.982 1.00 0.00 C ATOM 430 C CYS A 31 -5.880 -4.062 -4.929 1.00 0.00 C ATOM 431 O CYS A 31 -5.223 -3.246 -4.288 1.00 0.00 O ATOM 432 CB CYS A 31 -5.809 -6.364 -5.894 1.00 0.00 C ATOM 433 SG CYS A 31 -4.651 -7.691 -6.374 1.00 0.00 S ATOM 0 H CYS A 31 -3.450 -5.406 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.447 -4.528 -6.963 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.142 -6.543 -4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.691 -6.421 -6.532 1.00 0.00 H new ATOM 438 N CYS A 32 -7.189 -4.231 -4.785 1.00 0.00 N ATOM 439 CA CYS A 32 -7.993 -3.458 -3.835 1.00 0.00 C ATOM 440 C CYS A 32 -8.837 -2.433 -4.586 1.00 0.00 C ATOM 441 O CYS A 32 -9.371 -2.731 -5.655 1.00 0.00 O ATOM 442 CB CYS A 32 -7.105 -2.760 -2.795 1.00 0.00 C ATOM 443 SG CYS A 32 -7.948 -2.386 -1.221 1.00 0.00 S ATOM 0 H CYS A 32 -7.728 -4.909 -5.324 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.651 -4.145 -3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.240 -3.391 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.727 -1.831 -3.221 1.00 0.00 H new ATOM 448 N PHE A 33 -8.948 -1.222 -4.045 1.00 0.00 N ATOM 449 CA PHE A 33 -9.718 -0.175 -4.706 1.00 0.00 C ATOM 450 C PHE A 33 -11.147 -0.641 -4.962 1.00 0.00 C ATOM 451 O PHE A 33 -11.584 -1.650 -4.406 1.00 0.00 O ATOM 452 CB PHE A 33 -9.026 0.201 -6.020 1.00 0.00 C ATOM 453 CG PHE A 33 -7.687 -0.465 -6.159 1.00 0.00 C ATOM 454 CD1 PHE A 33 -6.591 0.006 -5.457 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.537 -1.591 -6.951 1.00 0.00 C ATOM 456 CE1 PHE A 33 -5.367 -0.627 -5.546 1.00 0.00 C ATOM 457 CE2 PHE A 33 -6.317 -2.236 -7.036 1.00 0.00 C ATOM 458 CZ PHE A 33 -5.230 -1.753 -6.332 1.00 0.00 C ATOM 0 H PHE A 33 -8.520 -0.945 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.766 0.702 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.661 -0.083 -6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.900 1.283 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.695 0.880 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.382 -1.969 -7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.518 -0.241 -5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.213 -3.117 -7.652 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.276 -2.255 -6.397 1.00 0.00 H new ATOM 468 N SER A 34 -11.875 0.092 -5.794 1.00 0.00 N ATOM 469 CA SER A 34 -13.254 -0.264 -6.102 1.00 0.00 C ATOM 470 C SER A 34 -13.620 0.118 -7.531 1.00 0.00 C ATOM 471 O SER A 34 -12.754 0.454 -8.338 1.00 0.00 O ATOM 472 CB SER A 34 -14.208 0.414 -5.118 1.00 0.00 C ATOM 473 OG SER A 34 -14.704 -0.512 -4.166 1.00 0.00 O ATOM 0 H SER A 34 -11.537 0.931 -6.265 1.00 0.00 H new ATOM 0 HA SER A 34 -13.349 -1.346 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.690 1.225 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.040 0.861 -5.663 1.00 0.00 H new ATOM 0 HG SER A 34 -15.310 -0.053 -3.548 1.00 0.00 H new ATOM 479 N ARG A 35 -14.911 0.058 -7.834 1.00 0.00 N ATOM 480 CA ARG A 35 -15.405 0.391 -9.164 1.00 0.00 C ATOM 481 C ARG A 35 -15.449 1.901 -9.372 1.00 0.00 C ATOM 482 O ARG A 35 -15.741 2.658 -8.446 1.00 0.00 O ATOM 483 CB ARG A 35 -16.800 -0.202 -9.374 1.00 0.00 C ATOM 484 CG ARG A 35 -16.970 -0.908 -10.708 1.00 0.00 C ATOM 485 CD ARG A 35 -17.997 -2.022 -10.615 1.00 0.00 C ATOM 486 NE ARG A 35 -17.916 -2.940 -11.749 1.00 0.00 N ATOM 487 CZ ARG A 35 -18.099 -4.252 -11.652 1.00 0.00 C ATOM 488 NH1 ARG A 35 -18.389 -4.801 -10.479 1.00 0.00 N ATOM 489 NH2 ARG A 35 -18.001 -5.019 -12.729 1.00 0.00 N ATOM 0 H ARG A 35 -15.637 -0.219 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.718 -0.037 -9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.010 -0.908 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -17.539 0.596 -9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -17.279 -0.188 -11.466 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.013 -1.319 -11.029 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.847 -2.577 -9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -18.997 -1.590 -10.569 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.707 -2.551 -12.668 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.472 -4.215 -9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.529 -5.809 -10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.785 -4.602 -13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.142 -6.026 -12.652 1.00 0.00 H new ATOM 503 N ALA A 36 -15.161 2.331 -10.595 1.00 0.00 N ATOM 504 CA ALA A 36 -15.171 3.749 -10.931 1.00 0.00 C ATOM 505 C ALA A 36 -16.337 4.081 -11.854 1.00 0.00 C ATOM 506 O ALA A 36 -16.329 5.103 -12.541 1.00 0.00 O ATOM 507 CB ALA A 36 -13.852 4.146 -11.578 1.00 0.00 C ATOM 0 H ALA A 36 -14.917 1.716 -11.372 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.296 4.318 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.872 5.208 -11.824 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.033 3.950 -10.885 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.704 3.565 -12.488 1.00 0.00 H new ATOM 513 N TYR A 37 -17.339 3.208 -11.865 1.00 0.00 N ATOM 514 CA TYR A 37 -18.516 3.403 -12.703 1.00 0.00 C ATOM 515 C TYR A 37 -19.776 3.519 -11.853 1.00 0.00 C ATOM 516 O TYR A 37 -20.120 2.603 -11.107 1.00 0.00 O ATOM 517 CB TYR A 37 -18.660 2.242 -13.689 1.00 0.00 C ATOM 518 CG TYR A 37 -18.318 2.610 -15.115 1.00 0.00 C ATOM 519 CD1 TYR A 37 -17.000 2.633 -15.550 1.00 0.00 C ATOM 520 CD2 TYR A 37 -19.315 2.936 -16.027 1.00 0.00 C ATOM 521 CE1 TYR A 37 -16.683 2.969 -16.852 1.00 0.00 C ATOM 522 CE2 TYR A 37 -19.007 3.272 -17.331 1.00 0.00 C ATOM 523 CZ TYR A 37 -17.690 3.288 -17.739 1.00 0.00 C ATOM 524 OH TYR A 37 -17.381 3.623 -19.037 1.00 0.00 O ATOM 0 H TYR A 37 -17.359 2.358 -11.302 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.387 4.332 -13.258 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.015 1.424 -13.370 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -19.685 1.872 -13.654 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.209 2.384 -14.859 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -20.348 2.926 -15.711 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.652 2.982 -17.174 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.794 3.521 -18.028 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.205 3.818 -19.530 1.00 0.00 H new ATOM 534 N PRO A 38 -20.484 4.653 -11.959 1.00 0.00 N ATOM 535 CA PRO A 38 -21.714 4.891 -11.201 1.00 0.00 C ATOM 536 C PRO A 38 -22.661 3.696 -11.241 1.00 0.00 C ATOM 537 O PRO A 38 -22.364 2.678 -11.868 1.00 0.00 O ATOM 538 CB PRO A 38 -22.322 6.098 -11.914 1.00 0.00 C ATOM 539 CG PRO A 38 -21.142 6.845 -12.428 1.00 0.00 C ATOM 540 CD PRO A 38 -20.144 5.793 -12.834 1.00 0.00 C ATOM 0 HA PRO A 38 -21.526 5.055 -10.140 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -22.984 5.791 -12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -22.914 6.708 -11.232 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -21.415 7.475 -13.275 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -20.730 7.502 -11.662 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -20.238 5.534 -13.889 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -19.119 6.129 -12.679 1.00 0.00 H new ATOM 548 N THR A 39 -23.796 3.819 -10.561 1.00 0.00 N ATOM 549 CA THR A 39 -24.778 2.741 -10.513 1.00 0.00 C ATOM 550 C THR A 39 -25.853 3.034 -9.471 1.00 0.00 C ATOM 551 O THR A 39 -25.615 3.769 -8.513 1.00 0.00 O ATOM 552 CB THR A 39 -24.083 1.419 -10.182 1.00 0.00 C ATOM 553 OG1 THR A 39 -25.028 0.424 -9.830 1.00 0.00 O ATOM 554 CG2 THR A 39 -23.096 1.536 -9.040 1.00 0.00 C ATOM 0 H THR A 39 -24.059 4.653 -10.036 1.00 0.00 H new ATOM 0 HA THR A 39 -25.255 2.666 -11.490 1.00 0.00 H new ATOM 0 HB THR A 39 -23.542 1.144 -11.088 1.00 0.00 H new ATOM 0 HG1 THR A 39 -24.561 -0.413 -9.624 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.637 0.565 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 39 -22.323 2.259 -9.300 1.00 0.00 H new ATOM 0 HG23 THR A 39 -23.616 1.869 -8.142 1.00 0.00 H new ATOM 562 N PRO A 40 -27.052 2.455 -9.640 1.00 0.00 N ATOM 563 CA PRO A 40 -28.157 2.647 -8.715 1.00 0.00 C ATOM 564 C PRO A 40 -27.674 2.880 -7.288 1.00 0.00 C ATOM 565 O PRO A 40 -28.237 3.688 -6.551 1.00 0.00 O ATOM 566 CB PRO A 40 -28.903 1.320 -8.826 1.00 0.00 C ATOM 567 CG PRO A 40 -28.656 0.845 -10.227 1.00 0.00 C ATOM 568 CD PRO A 40 -27.425 1.560 -10.744 1.00 0.00 C ATOM 0 HA PRO A 40 -28.763 3.522 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -28.535 0.599 -8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -29.968 1.450 -8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -28.507 -0.235 -10.244 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -29.517 1.058 -10.861 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -26.624 0.859 -10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -27.639 2.117 -11.656 1.00 0.00 H new ATOM 576 N LEU A 41 -26.619 2.166 -6.910 1.00 0.00 N ATOM 577 CA LEU A 41 -26.046 2.291 -5.577 1.00 0.00 C ATOM 578 C LEU A 41 -25.290 3.609 -5.438 1.00 0.00 C ATOM 579 O LEU A 41 -25.319 4.452 -6.334 1.00 0.00 O ATOM 580 CB LEU A 41 -25.099 1.120 -5.297 1.00 0.00 C ATOM 581 CG LEU A 41 -25.777 -0.210 -4.951 1.00 0.00 C ATOM 582 CD1 LEU A 41 -25.662 -0.493 -3.462 1.00 0.00 C ATOM 583 CD2 LEU A 41 -27.237 -0.200 -5.386 1.00 0.00 C ATOM 0 H LEU A 41 -26.143 1.493 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 41 -26.860 2.276 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -24.468 0.969 -6.173 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.441 1.397 -4.474 1.00 0.00 H new ATOM 0 HG LEU A 41 -25.267 -1.007 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -26.149 -1.441 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -24.610 -0.548 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -26.145 0.307 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -27.699 -1.154 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -27.763 0.606 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -27.295 -0.046 -6.463 1.00 0.00 H new ATOM 595 N ARG A 42 -24.612 3.777 -4.311 1.00 0.00 N ATOM 596 CA ARG A 42 -23.842 4.988 -4.053 1.00 0.00 C ATOM 597 C ARG A 42 -22.781 4.730 -2.991 1.00 0.00 C ATOM 598 O ARG A 42 -21.669 5.250 -3.070 1.00 0.00 O ATOM 599 CB ARG A 42 -24.765 6.127 -3.609 1.00 0.00 C ATOM 600 CG ARG A 42 -25.017 7.163 -4.694 1.00 0.00 C ATOM 601 CD ARG A 42 -25.933 8.275 -4.204 1.00 0.00 C ATOM 602 NE ARG A 42 -25.220 9.246 -3.376 1.00 0.00 N ATOM 603 CZ ARG A 42 -25.252 9.253 -2.045 1.00 0.00 C ATOM 604 NH1 ARG A 42 -25.961 8.345 -1.387 1.00 0.00 N ATOM 605 NH2 ARG A 42 -24.568 10.168 -1.371 1.00 0.00 N ATOM 0 H ARG A 42 -24.579 3.089 -3.559 1.00 0.00 H new ATOM 0 HA ARG A 42 -23.346 5.281 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -25.719 5.707 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -24.328 6.621 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -24.068 7.589 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -25.463 6.680 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -26.375 8.784 -5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -26.754 7.843 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 42 -24.665 9.961 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -26.485 7.637 -1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -25.982 8.355 -0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -24.018 10.866 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -24.592 10.174 -0.351 1.00 0.00 H new ATOM 619 N SER A 43 -23.136 3.919 -1.998 1.00 0.00 N ATOM 620 CA SER A 43 -22.215 3.586 -0.919 1.00 0.00 C ATOM 621 C SER A 43 -21.436 4.818 -0.469 1.00 0.00 C ATOM 622 O SER A 43 -21.935 5.939 -0.545 1.00 0.00 O ATOM 623 CB SER A 43 -21.250 2.491 -1.374 1.00 0.00 C ATOM 624 OG SER A 43 -21.887 1.581 -2.255 1.00 0.00 O ATOM 0 H SER A 43 -24.054 3.482 -1.920 1.00 0.00 H new ATOM 0 HA SER A 43 -22.796 3.221 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 43 -20.392 2.943 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 43 -20.869 1.954 -0.505 1.00 0.00 H new ATOM 0 HG SER A 43 -21.248 0.892 -2.532 1.00 0.00 H new ATOM 630 N LYS A 44 -20.209 4.601 -0.004 1.00 0.00 N ATOM 631 CA LYS A 44 -19.359 5.693 0.456 1.00 0.00 C ATOM 632 C LYS A 44 -19.899 6.307 1.743 1.00 0.00 C ATOM 633 O LYS A 44 -19.756 7.507 1.978 1.00 0.00 O ATOM 634 CB LYS A 44 -19.240 6.770 -0.626 1.00 0.00 C ATOM 635 CG LYS A 44 -18.251 6.417 -1.725 1.00 0.00 C ATOM 636 CD LYS A 44 -18.743 5.247 -2.562 1.00 0.00 C ATOM 637 CE LYS A 44 -18.734 5.582 -4.044 1.00 0.00 C ATOM 638 NZ LYS A 44 -18.449 4.385 -4.883 1.00 0.00 N ATOM 0 H LYS A 44 -19.781 3.677 0.064 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.370 5.282 0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.221 6.937 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.936 7.708 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.094 7.284 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.286 6.169 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.112 4.377 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -19.753 4.977 -2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.699 6.002 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -17.984 6.348 -4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.452 4.656 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.517 3.999 -4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.179 3.663 -4.717 1.00 0.00 H new ATOM 652 N LYS A 45 -20.514 5.476 2.576 1.00 0.00 N ATOM 653 CA LYS A 45 -21.070 5.935 3.843 1.00 0.00 C ATOM 654 C LYS A 45 -20.338 5.292 5.015 1.00 0.00 C ATOM 655 O LYS A 45 -20.106 5.930 6.042 1.00 0.00 O ATOM 656 CB LYS A 45 -22.561 5.607 3.921 1.00 0.00 C ATOM 657 CG LYS A 45 -23.265 6.260 5.100 1.00 0.00 C ATOM 658 CD LYS A 45 -24.765 6.350 4.874 1.00 0.00 C ATOM 659 CE LYS A 45 -25.493 5.170 5.496 1.00 0.00 C ATOM 660 NZ LYS A 45 -26.152 5.541 6.779 1.00 0.00 N ATOM 0 H LYS A 45 -20.640 4.480 2.397 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.941 7.016 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -23.044 5.926 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.684 4.526 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -23.066 5.687 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.860 7.259 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.143 7.279 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -24.972 6.384 3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.242 4.796 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.787 4.359 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.638 4.710 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.435 5.875 7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.844 6.298 6.608 1.00 0.00 H new ATOM 674 N THR A 46 -19.979 4.021 4.854 1.00 0.00 N ATOM 675 CA THR A 46 -19.276 3.288 5.898 1.00 0.00 C ATOM 676 C THR A 46 -19.907 3.544 7.263 1.00 0.00 C ATOM 677 O THR A 46 -20.953 4.185 7.362 1.00 0.00 O ATOM 678 CB THR A 46 -17.797 3.679 5.919 1.00 0.00 C ATOM 679 OG1 THR A 46 -17.629 4.988 6.436 1.00 0.00 O ATOM 680 CG2 THR A 46 -17.148 3.641 4.552 1.00 0.00 C ATOM 0 H THR A 46 -20.164 3.479 4.010 1.00 0.00 H new ATOM 0 HA THR A 46 -19.357 2.224 5.678 1.00 0.00 H new ATOM 0 HB THR A 46 -17.313 2.938 6.555 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.507 5.378 6.630 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.100 3.929 4.639 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.215 2.632 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 46 -17.661 4.335 3.886 1.00 0.00 H new ATOM 688 N MET A 47 -19.266 3.038 8.312 1.00 0.00 N ATOM 689 CA MET A 47 -19.766 3.210 9.671 1.00 0.00 C ATOM 690 C MET A 47 -20.111 4.669 9.949 1.00 0.00 C ATOM 691 O MET A 47 -21.283 5.041 10.005 1.00 0.00 O ATOM 692 CB MET A 47 -18.728 2.719 10.684 1.00 0.00 C ATOM 693 CG MET A 47 -19.187 1.512 11.489 1.00 0.00 C ATOM 694 SD MET A 47 -18.060 0.113 11.342 1.00 0.00 S ATOM 695 CE MET A 47 -18.138 -0.200 9.581 1.00 0.00 C ATOM 0 H MET A 47 -18.399 2.505 8.247 1.00 0.00 H new ATOM 0 HA MET A 47 -20.675 2.617 9.772 1.00 0.00 H new ATOM 0 HB2 MET A 47 -17.809 2.465 10.156 1.00 0.00 H new ATOM 0 HB3 MET A 47 -18.488 3.532 11.369 1.00 0.00 H new ATOM 0 HG2 MET A 47 -19.277 1.793 12.538 1.00 0.00 H new ATOM 0 HG3 MET A 47 -20.179 1.212 11.153 1.00 0.00 H new ATOM 0 HE1 MET A 47 -17.902 -1.246 9.387 1.00 0.00 H new ATOM 0 HE2 MET A 47 -19.142 0.019 9.217 1.00 0.00 H new ATOM 0 HE3 MET A 47 -17.418 0.436 9.066 1.00 0.00 H new ATOM 705 N LEU A 48 -19.083 5.492 10.127 1.00 0.00 N ATOM 706 CA LEU A 48 -19.278 6.909 10.405 1.00 0.00 C ATOM 707 C LEU A 48 -18.183 7.748 9.754 1.00 0.00 C ATOM 708 O LEU A 48 -17.308 8.279 10.434 1.00 0.00 O ATOM 709 CB LEU A 48 -19.290 7.155 11.916 1.00 0.00 C ATOM 710 CG LEU A 48 -20.634 6.913 12.604 1.00 0.00 C ATOM 711 CD1 LEU A 48 -20.620 5.592 13.359 1.00 0.00 C ATOM 712 CD2 LEU A 48 -20.962 8.062 13.546 1.00 0.00 C ATOM 0 H LEU A 48 -18.106 5.201 10.084 1.00 0.00 H new ATOM 0 HA LEU A 48 -20.238 7.207 9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -18.542 6.511 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.984 8.184 12.103 1.00 0.00 H new ATOM 0 HG LEU A 48 -21.408 6.861 11.838 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -21.585 5.438 13.841 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -20.429 4.776 12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.836 5.614 14.116 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -21.922 7.875 14.028 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -20.184 8.143 14.305 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -21.015 8.992 12.980 1.00 0.00 H new ATOM 724 N VAL A 49 -18.237 7.861 8.430 1.00 0.00 N ATOM 725 CA VAL A 49 -17.247 8.637 7.691 1.00 0.00 C ATOM 726 C VAL A 49 -15.883 7.949 7.708 1.00 0.00 C ATOM 727 O VAL A 49 -15.798 6.721 7.676 1.00 0.00 O ATOM 728 CB VAL A 49 -17.105 10.058 8.273 1.00 0.00 C ATOM 729 CG1 VAL A 49 -16.705 11.047 7.188 1.00 0.00 C ATOM 730 CG2 VAL A 49 -18.397 10.491 8.949 1.00 0.00 C ATOM 0 H VAL A 49 -18.954 7.426 7.849 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.599 8.707 6.662 1.00 0.00 H new ATOM 0 HB VAL A 49 -16.316 10.043 9.025 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.610 12.043 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -15.750 10.747 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -17.467 11.061 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -18.277 11.496 9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -19.208 10.487 8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -18.633 9.800 9.758 1.00 0.00 H new ATOM 740 N GLN A 50 -14.820 8.748 7.756 1.00 0.00 N ATOM 741 CA GLN A 50 -13.461 8.221 7.777 1.00 0.00 C ATOM 742 C GLN A 50 -12.451 9.350 7.966 1.00 0.00 C ATOM 743 O GLN A 50 -12.191 10.126 7.047 1.00 0.00 O ATOM 744 CB GLN A 50 -13.166 7.462 6.481 1.00 0.00 C ATOM 745 CG GLN A 50 -12.504 6.112 6.702 1.00 0.00 C ATOM 746 CD GLN A 50 -13.018 5.047 5.752 1.00 0.00 C ATOM 747 OE1 GLN A 50 -14.195 4.508 6.046 1.00 0.00 O flip ATOM 748 NE2 GLN A 50 -12.363 4.713 4.764 1.00 0.00 N flip ATOM 0 H GLN A 50 -14.876 9.766 7.781 1.00 0.00 H new ATOM 0 HA GLN A 50 -13.372 7.532 8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -14.098 7.315 5.936 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.521 8.074 5.850 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.426 6.215 6.577 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.676 5.791 7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.463 5.154 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.721 3.996 4.134 1.00 0.00 H new ATOM 757 N LYS A 51 -11.895 9.442 9.169 1.00 0.00 N ATOM 758 CA LYS A 51 -10.921 10.481 9.488 1.00 0.00 C ATOM 759 C LYS A 51 -9.737 10.440 8.526 1.00 0.00 C ATOM 760 O LYS A 51 -8.664 9.945 8.870 1.00 0.00 O ATOM 761 CB LYS A 51 -10.429 10.323 10.928 1.00 0.00 C ATOM 762 CG LYS A 51 -11.450 9.675 11.850 1.00 0.00 C ATOM 763 CD LYS A 51 -11.418 10.295 13.237 1.00 0.00 C ATOM 764 CE LYS A 51 -10.111 9.991 13.953 1.00 0.00 C ATOM 765 NZ LYS A 51 -9.132 11.106 13.821 1.00 0.00 N ATOM 0 H LYS A 51 -12.102 8.809 9.941 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.414 11.447 9.382 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.519 9.724 10.929 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.165 11.304 11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.447 9.784 11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.250 8.606 11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.548 11.374 13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.253 9.916 13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.310 9.806 15.009 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.678 9.078 13.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.406 11.019 14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.681 11.063 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.626 12.015 13.925 1.00 0.00 H new ATOM 779 N ASN A 52 -9.942 10.966 7.324 1.00 0.00 N ATOM 780 CA ASN A 52 -8.893 10.995 6.311 1.00 0.00 C ATOM 781 C ASN A 52 -9.429 11.530 4.988 1.00 0.00 C ATOM 782 O ASN A 52 -10.132 10.826 4.262 1.00 0.00 O ATOM 783 CB ASN A 52 -8.309 9.595 6.107 1.00 0.00 C ATOM 784 CG ASN A 52 -7.022 9.620 5.308 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.916 8.981 4.260 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.033 10.357 5.802 1.00 0.00 N ATOM 0 H ASN A 52 -10.826 11.379 7.027 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.105 11.662 6.661 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.122 9.137 7.078 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.040 8.970 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.141 10.410 5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.165 10.870 6.674 1.00 0.00 H new ATOM 793 N VAL A 53 -9.090 12.778 4.677 1.00 0.00 N ATOM 794 CA VAL A 53 -9.535 13.400 3.436 1.00 0.00 C ATOM 795 C VAL A 53 -9.178 12.532 2.237 1.00 0.00 C ATOM 796 O VAL A 53 -8.507 11.509 2.378 1.00 0.00 O ATOM 797 CB VAL A 53 -8.908 14.794 3.248 1.00 0.00 C ATOM 798 CG1 VAL A 53 -9.693 15.844 4.019 1.00 0.00 C ATOM 799 CG2 VAL A 53 -7.448 14.785 3.677 1.00 0.00 C ATOM 0 H VAL A 53 -8.510 13.376 5.266 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.618 13.505 3.503 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.950 15.050 2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.234 16.822 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.721 15.868 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.688 15.596 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.022 15.778 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.379 14.505 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.896 14.065 3.073 1.00 0.00 H new ATOM 809 N THR A 54 -9.622 12.948 1.057 1.00 0.00 N ATOM 810 CA THR A 54 -9.342 12.206 -0.167 1.00 0.00 C ATOM 811 C THR A 54 -9.709 10.734 -0.008 1.00 0.00 C ATOM 812 O THR A 54 -8.904 9.931 0.463 1.00 0.00 O ATOM 813 CB THR A 54 -7.865 12.341 -0.537 1.00 0.00 C ATOM 814 OG1 THR A 54 -7.046 11.729 0.444 1.00 0.00 O ATOM 815 CG2 THR A 54 -7.416 13.778 -0.681 1.00 0.00 C ATOM 0 H THR A 54 -10.176 13.793 0.921 1.00 0.00 H new ATOM 0 HA THR A 54 -9.951 12.626 -0.968 1.00 0.00 H new ATOM 0 HB THR A 54 -7.760 11.846 -1.503 1.00 0.00 H new ATOM 0 HG1 THR A 54 -7.577 11.086 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.359 13.804 -0.944 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.997 14.264 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.568 14.303 0.262 1.00 0.00 H new ATOM 823 N SER A 55 -10.929 10.386 -0.409 1.00 0.00 N ATOM 824 CA SER A 55 -11.404 9.010 -0.314 1.00 0.00 C ATOM 825 C SER A 55 -12.612 8.787 -1.219 1.00 0.00 C ATOM 826 O SER A 55 -13.608 9.505 -1.127 1.00 0.00 O ATOM 827 CB SER A 55 -11.767 8.669 1.132 1.00 0.00 C ATOM 828 OG SER A 55 -11.274 9.650 2.026 1.00 0.00 O ATOM 0 H SER A 55 -11.606 11.039 -0.803 1.00 0.00 H new ATOM 0 HA SER A 55 -10.599 8.353 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.850 8.594 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.355 7.694 1.393 1.00 0.00 H new ATOM 0 HG SER A 55 -10.882 9.211 2.810 1.00 0.00 H new ATOM 834 N GLU A 56 -12.519 7.789 -2.093 1.00 0.00 N ATOM 835 CA GLU A 56 -13.606 7.477 -3.014 1.00 0.00 C ATOM 836 C GLU A 56 -13.701 5.973 -3.263 1.00 0.00 C ATOM 837 O GLU A 56 -14.795 5.431 -3.419 1.00 0.00 O ATOM 838 CB GLU A 56 -13.406 8.215 -4.339 1.00 0.00 C ATOM 839 CG GLU A 56 -12.151 7.796 -5.086 1.00 0.00 C ATOM 840 CD GLU A 56 -11.410 8.974 -5.686 1.00 0.00 C ATOM 841 OE1 GLU A 56 -10.676 9.657 -4.940 1.00 0.00 O ATOM 842 OE2 GLU A 56 -11.564 9.215 -6.901 1.00 0.00 O ATOM 0 H GLU A 56 -11.703 7.184 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.539 7.808 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.273 8.041 -4.976 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.362 9.287 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.488 7.263 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.420 7.099 -5.879 1.00 0.00 H new ATOM 849 N SER A 57 -12.554 5.303 -3.300 1.00 0.00 N ATOM 850 CA SER A 57 -12.525 3.861 -3.530 1.00 0.00 C ATOM 851 C SER A 57 -11.597 3.165 -2.538 1.00 0.00 C ATOM 852 O SER A 57 -11.998 2.842 -1.421 1.00 0.00 O ATOM 853 CB SER A 57 -12.084 3.559 -4.963 1.00 0.00 C ATOM 854 OG SER A 57 -13.099 3.895 -5.892 1.00 0.00 O ATOM 0 H SER A 57 -11.637 5.731 -3.175 1.00 0.00 H new ATOM 0 HA SER A 57 -13.534 3.477 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.177 4.118 -5.193 1.00 0.00 H new ATOM 0 HB3 SER A 57 -11.838 2.501 -5.056 1.00 0.00 H new ATOM 0 HG SER A 57 -12.791 3.694 -6.800 1.00 0.00 H new ATOM 860 N THR A 58 -10.354 2.936 -2.954 1.00 0.00 N ATOM 861 CA THR A 58 -9.374 2.276 -2.099 1.00 0.00 C ATOM 862 C THR A 58 -9.143 3.068 -0.819 1.00 0.00 C ATOM 863 O THR A 58 -9.911 3.970 -0.485 1.00 0.00 O ATOM 864 CB THR A 58 -8.047 2.107 -2.840 1.00 0.00 C ATOM 865 OG1 THR A 58 -8.255 2.038 -4.237 1.00 0.00 O ATOM 866 CG2 THR A 58 -7.284 0.868 -2.421 1.00 0.00 C ATOM 0 H THR A 58 -10.003 3.197 -3.875 1.00 0.00 H new ATOM 0 HA THR A 58 -9.770 1.295 -1.837 1.00 0.00 H new ATOM 0 HB THR A 58 -7.455 2.984 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.601 2.607 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.352 0.807 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.061 0.921 -1.355 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.888 -0.017 -2.622 1.00 0.00 H new ATOM 874 N CYS A 59 -8.072 2.728 -0.109 1.00 0.00 N ATOM 875 CA CYS A 59 -7.731 3.410 1.131 1.00 0.00 C ATOM 876 C CYS A 59 -6.291 3.152 1.502 1.00 0.00 C ATOM 877 O CYS A 59 -5.908 3.179 2.671 1.00 0.00 O ATOM 878 CB CYS A 59 -8.648 2.959 2.255 1.00 0.00 C ATOM 879 SG CYS A 59 -8.955 4.222 3.533 1.00 0.00 S ATOM 0 H CYS A 59 -7.426 1.984 -0.373 1.00 0.00 H new ATOM 0 HA CYS A 59 -7.864 4.481 0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.603 2.653 1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.215 2.078 2.729 1.00 0.00 H new ATOM 884 N CYS A 60 -5.509 2.918 0.481 1.00 0.00 N ATOM 885 CA CYS A 60 -4.082 2.661 0.640 1.00 0.00 C ATOM 886 C CYS A 60 -3.344 3.943 0.959 1.00 0.00 C ATOM 887 O CYS A 60 -3.939 4.937 1.373 1.00 0.00 O ATOM 888 CB CYS A 60 -3.471 2.036 -0.621 1.00 0.00 C ATOM 889 SG CYS A 60 -2.873 0.327 -0.394 1.00 0.00 S ATOM 0 H CYS A 60 -5.832 2.898 -0.486 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.976 1.956 1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.217 2.045 -1.416 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.641 2.658 -0.956 1.00 0.00 H new ATOM 894 N VAL A 61 -2.043 3.883 0.761 1.00 0.00 N ATOM 895 CA VAL A 61 -1.143 4.998 1.010 1.00 0.00 C ATOM 896 C VAL A 61 -0.183 4.628 2.117 1.00 0.00 C ATOM 897 O VAL A 61 0.112 5.428 3.003 1.00 0.00 O ATOM 898 CB VAL A 61 -1.881 6.303 1.378 1.00 0.00 C ATOM 899 CG1 VAL A 61 -2.348 6.266 2.825 1.00 0.00 C ATOM 900 CG2 VAL A 61 -0.988 7.510 1.130 1.00 0.00 C ATOM 0 H VAL A 61 -1.571 3.047 0.417 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.607 5.191 0.081 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.760 6.392 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.866 7.195 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.027 5.425 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.486 6.151 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.525 8.421 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.089 7.429 1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.710 7.546 0.077 1.00 0.00 H new ATOM 910 N ALA A 62 0.300 3.397 2.038 1.00 0.00 N ATOM 911 CA ALA A 62 1.240 2.870 3.012 1.00 0.00 C ATOM 912 C ALA A 62 0.921 3.361 4.420 1.00 0.00 C ATOM 913 O ALA A 62 1.048 4.545 4.725 1.00 0.00 O ATOM 914 CB ALA A 62 2.645 3.255 2.607 1.00 0.00 C ATOM 0 H ALA A 62 0.052 2.739 1.299 1.00 0.00 H new ATOM 0 HA ALA A 62 1.156 1.783 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.354 2.862 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.867 2.840 1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.728 4.341 2.570 1.00 0.00 H new ATOM 920 N LYS A 63 0.527 2.433 5.284 1.00 0.00 N ATOM 921 CA LYS A 63 0.211 2.764 6.662 1.00 0.00 C ATOM 922 C LYS A 63 1.369 3.529 7.263 1.00 0.00 C ATOM 923 O LYS A 63 1.190 4.500 8.000 1.00 0.00 O ATOM 924 CB LYS A 63 -0.037 1.488 7.461 1.00 0.00 C ATOM 925 CG LYS A 63 -0.558 1.749 8.861 1.00 0.00 C ATOM 926 CD LYS A 63 0.085 0.819 9.878 1.00 0.00 C ATOM 927 CE LYS A 63 -0.670 -0.496 9.995 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.832 -0.393 10.923 1.00 0.00 N ATOM 0 H LYS A 63 0.420 1.446 5.051 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.690 3.377 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.753 0.865 6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.892 0.922 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.359 2.785 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.640 1.616 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.117 0.621 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.115 1.309 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.020 -0.802 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.008 -1.273 10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.318 -1.311 10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.497 -0.126 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.493 0.330 10.573 1.00 0.00 H new ATOM 942 N SER A 64 2.561 3.084 6.909 1.00 0.00 N ATOM 943 CA SER A 64 3.788 3.706 7.365 1.00 0.00 C ATOM 944 C SER A 64 4.793 3.713 6.223 1.00 0.00 C ATOM 945 O SER A 64 4.874 2.752 5.460 1.00 0.00 O ATOM 946 CB SER A 64 4.354 2.968 8.579 1.00 0.00 C ATOM 947 OG SER A 64 3.705 3.377 9.771 1.00 0.00 O ATOM 0 H SER A 64 2.704 2.281 6.297 1.00 0.00 H new ATOM 0 HA SER A 64 3.580 4.731 7.672 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.232 1.893 8.445 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.424 3.160 8.659 1.00 0.00 H new ATOM 0 HG SER A 64 2.845 3.791 9.550 1.00 0.00 H new ATOM 953 N TYR A 65 5.532 4.803 6.078 1.00 0.00 N ATOM 954 CA TYR A 65 6.489 4.905 4.986 1.00 0.00 C ATOM 955 C TYR A 65 7.901 5.182 5.457 1.00 0.00 C ATOM 956 O TYR A 65 8.123 5.717 6.544 1.00 0.00 O ATOM 957 CB TYR A 65 6.079 6.020 4.031 1.00 0.00 C ATOM 958 CG TYR A 65 5.610 7.277 4.723 1.00 0.00 C ATOM 959 CD1 TYR A 65 6.521 8.148 5.306 1.00 0.00 C ATOM 960 CD2 TYR A 65 4.260 7.596 4.787 1.00 0.00 C ATOM 961 CE1 TYR A 65 6.099 9.302 5.937 1.00 0.00 C ATOM 962 CE2 TYR A 65 3.830 8.747 5.417 1.00 0.00 C ATOM 963 CZ TYR A 65 4.752 9.598 5.989 1.00 0.00 C ATOM 964 OH TYR A 65 4.327 10.746 6.617 1.00 0.00 O ATOM 0 H TYR A 65 5.490 5.617 6.691 1.00 0.00 H new ATOM 0 HA TYR A 65 6.482 3.936 4.487 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.925 6.265 3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.282 5.655 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.576 7.920 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.535 6.934 4.337 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.819 9.969 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.776 8.980 5.462 1.00 0.00 H new ATOM 0 HH TYR A 65 3.350 10.806 6.564 1.00 0.00 H new ATOM 974 N ASN A 66 8.851 4.865 4.587 1.00 0.00 N ATOM 975 CA ASN A 66 10.260 5.134 4.865 1.00 0.00 C ATOM 976 C ASN A 66 10.820 5.922 3.700 1.00 0.00 C ATOM 977 O ASN A 66 12.009 5.895 3.387 1.00 0.00 O ATOM 978 CB ASN A 66 11.047 3.841 5.085 1.00 0.00 C ATOM 979 CG ASN A 66 11.749 3.804 6.428 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.109 3.852 7.479 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.074 3.714 6.399 1.00 0.00 N ATOM 0 H ASN A 66 8.675 4.423 3.685 1.00 0.00 H new ATOM 0 HA ASN A 66 10.350 5.709 5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.369 2.991 5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.785 3.730 4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.602 3.682 7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.563 3.677 5.505 1.00 0.00 H new ATOM 988 N ARG A 67 9.887 6.606 3.077 1.00 0.00 N ATOM 989 CA ARG A 67 10.114 7.447 1.910 1.00 0.00 C ATOM 990 C ARG A 67 11.573 7.534 1.492 1.00 0.00 C ATOM 991 O ARG A 67 12.463 7.824 2.290 1.00 0.00 O ATOM 992 CB ARG A 67 9.554 8.841 2.166 1.00 0.00 C ATOM 993 CG ARG A 67 8.834 9.436 0.970 1.00 0.00 C ATOM 994 CD ARG A 67 9.617 10.596 0.373 1.00 0.00 C ATOM 995 NE ARG A 67 8.973 11.884 0.624 1.00 0.00 N ATOM 996 CZ ARG A 67 9.523 12.864 1.340 1.00 0.00 C ATOM 997 NH1 ARG A 67 10.726 12.710 1.878 1.00 0.00 N ATOM 998 NH2 ARG A 67 8.868 14.004 1.516 1.00 0.00 N ATOM 0 H ARG A 67 8.912 6.595 3.375 1.00 0.00 H new ATOM 0 HA ARG A 67 9.591 6.975 1.078 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.865 8.797 3.009 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.370 9.504 2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.686 8.666 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.845 9.780 1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.623 10.607 0.792 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.721 10.447 -0.702 1.00 0.00 H new ATOM 0 HE ARG A 67 8.047 12.042 0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.236 11.837 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.141 13.465 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.944 14.130 1.103 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.289 14.754 2.064 1.00 0.00 H new ATOM 1012 N VAL A 68 11.781 7.295 0.204 1.00 0.00 N ATOM 1013 CA VAL A 68 13.094 7.348 -0.416 1.00 0.00 C ATOM 1014 C VAL A 68 12.938 7.786 -1.875 1.00 0.00 C ATOM 1015 O VAL A 68 12.769 6.967 -2.778 1.00 0.00 O ATOM 1016 CB VAL A 68 13.834 5.983 -0.308 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.059 5.020 0.583 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.085 5.352 -1.676 1.00 0.00 C ATOM 0 H VAL A 68 11.032 7.056 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 68 13.709 8.076 0.114 1.00 0.00 H new ATOM 0 HB VAL A 68 14.806 6.182 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.593 4.072 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.960 5.447 1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.068 4.851 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.604 4.402 -1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.133 5.181 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.698 6.022 -2.279 1.00 0.00 H new ATOM 1028 N THR A 69 12.942 9.099 -2.087 1.00 0.00 N ATOM 1029 CA THR A 69 12.762 9.666 -3.409 1.00 0.00 C ATOM 1030 C THR A 69 13.803 9.161 -4.389 1.00 0.00 C ATOM 1031 O THR A 69 15.008 9.244 -4.150 1.00 0.00 O ATOM 1032 CB THR A 69 12.804 11.191 -3.352 1.00 0.00 C ATOM 1033 OG1 THR A 69 11.763 11.692 -2.534 1.00 0.00 O ATOM 1034 CG2 THR A 69 12.668 11.833 -4.714 1.00 0.00 C ATOM 0 H THR A 69 13.070 9.791 -1.349 1.00 0.00 H new ATOM 0 HA THR A 69 11.782 9.345 -3.763 1.00 0.00 H new ATOM 0 HB THR A 69 13.781 11.443 -2.939 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.809 12.671 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.705 12.917 -4.610 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.485 11.502 -5.356 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.716 11.543 -5.159 1.00 0.00 H new ATOM 1042 N VAL A 70 13.311 8.650 -5.500 1.00 0.00 N ATOM 1043 CA VAL A 70 14.164 8.129 -6.559 1.00 0.00 C ATOM 1044 C VAL A 70 13.832 8.771 -7.895 1.00 0.00 C ATOM 1045 O VAL A 70 13.068 9.734 -7.969 1.00 0.00 O ATOM 1046 CB VAL A 70 14.028 6.605 -6.714 1.00 0.00 C ATOM 1047 CG1 VAL A 70 15.376 5.932 -6.512 1.00 0.00 C ATOM 1048 CG2 VAL A 70 12.990 6.052 -5.748 1.00 0.00 C ATOM 0 H VAL A 70 12.313 8.583 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 70 15.187 8.370 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 70 13.686 6.389 -7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.265 4.854 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 70 16.083 6.303 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.748 6.156 -5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.912 4.972 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.291 6.275 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.023 6.512 -5.950 1.00 0.00 H new ATOM 1058 N MET A 71 14.415 8.216 -8.947 1.00 0.00 N ATOM 1059 CA MET A 71 14.197 8.704 -10.303 1.00 0.00 C ATOM 1060 C MET A 71 13.923 10.202 -10.308 1.00 0.00 C ATOM 1061 O MET A 71 14.589 10.969 -9.612 1.00 0.00 O ATOM 1062 CB MET A 71 13.029 7.960 -10.953 1.00 0.00 C ATOM 1063 CG MET A 71 12.773 6.594 -10.352 1.00 0.00 C ATOM 1064 SD MET A 71 12.897 5.266 -11.564 1.00 0.00 S ATOM 1065 CE MET A 71 11.869 4.013 -10.804 1.00 0.00 C ATOM 0 H MET A 71 15.049 7.419 -8.887 1.00 0.00 H new ATOM 0 HA MET A 71 15.105 8.518 -10.877 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.127 8.564 -10.859 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.228 7.848 -12.019 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.488 6.415 -9.549 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.780 6.579 -9.904 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.078 3.045 -11.259 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.083 3.965 -9.736 1.00 0.00 H new ATOM 0 HE3 MET A 71 10.819 4.264 -10.953 1.00 0.00 H new ATOM 1075 N GLY A 72 12.935 10.614 -11.096 1.00 0.00 N ATOM 1076 CA GLY A 72 12.586 12.015 -11.175 1.00 0.00 C ATOM 1077 C GLY A 72 11.866 12.510 -9.934 1.00 0.00 C ATOM 1078 O GLY A 72 11.164 13.521 -9.978 1.00 0.00 O ATOM 0 H GLY A 72 12.370 9.999 -11.681 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.492 12.603 -11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.953 12.179 -12.047 1.00 0.00 H new ATOM 1082 N GLY A 73 12.038 11.799 -8.824 1.00 0.00 N ATOM 1083 CA GLY A 73 11.394 12.187 -7.586 1.00 0.00 C ATOM 1084 C GLY A 73 10.385 11.161 -7.109 1.00 0.00 C ATOM 1085 O GLY A 73 9.365 11.515 -6.520 1.00 0.00 O ATOM 0 H GLY A 73 12.614 10.959 -8.762 1.00 0.00 H new ATOM 0 HA2 GLY A 73 12.152 12.332 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.894 13.146 -7.725 1.00 0.00 H new ATOM 1089 N PHE A 74 10.668 9.887 -7.366 1.00 0.00 N ATOM 1090 CA PHE A 74 9.769 8.812 -6.960 1.00 0.00 C ATOM 1091 C PHE A 74 9.746 8.655 -5.448 1.00 0.00 C ATOM 1092 O PHE A 74 10.718 8.212 -4.841 1.00 0.00 O ATOM 1093 CB PHE A 74 10.179 7.490 -7.601 1.00 0.00 C ATOM 1094 CG PHE A 74 9.606 7.293 -8.977 1.00 0.00 C ATOM 1095 CD1 PHE A 74 9.569 8.342 -9.882 1.00 0.00 C ATOM 1096 CD2 PHE A 74 9.100 6.062 -9.363 1.00 0.00 C ATOM 1097 CE1 PHE A 74 9.040 8.166 -11.146 1.00 0.00 C ATOM 1098 CE2 PHE A 74 8.569 5.881 -10.627 1.00 0.00 C ATOM 1099 CZ PHE A 74 8.540 6.935 -11.519 1.00 0.00 C ATOM 0 H PHE A 74 11.509 9.575 -7.851 1.00 0.00 H new ATOM 0 HA PHE A 74 8.769 9.080 -7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.267 7.444 -7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 74 9.858 6.669 -6.960 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.958 9.308 -9.596 1.00 0.00 H new ATOM 0 HD2 PHE A 74 9.121 5.235 -8.669 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.018 8.992 -11.842 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.178 4.917 -10.916 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.127 6.796 -12.507 1.00 0.00 H new ATOM 1109 N LYS A 75 8.620 9.013 -4.854 1.00 0.00 N ATOM 1110 CA LYS A 75 8.449 8.915 -3.411 1.00 0.00 C ATOM 1111 C LYS A 75 7.753 7.610 -3.035 1.00 0.00 C ATOM 1112 O LYS A 75 6.526 7.549 -2.949 1.00 0.00 O ATOM 1113 CB LYS A 75 7.643 10.106 -2.887 1.00 0.00 C ATOM 1114 CG LYS A 75 7.514 11.244 -3.887 1.00 0.00 C ATOM 1115 CD LYS A 75 7.704 12.597 -3.220 1.00 0.00 C ATOM 1116 CE LYS A 75 7.204 13.742 -4.094 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.065 13.354 -5.528 1.00 0.00 N ATOM 0 H LYS A 75 7.806 9.376 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 75 9.437 8.926 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.646 9.764 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.116 10.483 -1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.254 11.120 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.533 11.205 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.173 12.609 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.761 12.746 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.239 14.085 -3.720 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.894 14.582 -4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.956 14.209 -6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.914 12.835 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.229 12.747 -5.644 1.00 0.00 H new ATOM 1131 N VAL A 76 8.549 6.570 -2.810 1.00 0.00 N ATOM 1132 CA VAL A 76 8.023 5.259 -2.439 1.00 0.00 C ATOM 1133 C VAL A 76 7.653 5.223 -0.991 1.00 0.00 C ATOM 1134 O VAL A 76 7.462 4.148 -0.423 1.00 0.00 O ATOM 1135 CB VAL A 76 9.080 4.155 -2.659 1.00 0.00 C ATOM 1136 CG1 VAL A 76 9.536 4.133 -4.111 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.242 4.448 -1.722 1.00 0.00 C ATOM 0 H VAL A 76 9.566 6.609 -2.878 1.00 0.00 H new ATOM 0 HA VAL A 76 7.149 5.085 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 76 8.663 3.171 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.281 3.349 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.681 3.937 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.973 5.097 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.012 3.687 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.659 5.428 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.889 4.439 -0.691 1.00 0.00 H new ATOM 1147 N GLU A 77 7.584 6.390 -0.392 1.00 0.00 N ATOM 1148 CA GLU A 77 7.281 6.473 1.031 1.00 0.00 C ATOM 1149 C GLU A 77 7.687 5.138 1.614 1.00 0.00 C ATOM 1150 O GLU A 77 6.924 4.495 2.329 1.00 0.00 O ATOM 1151 CB GLU A 77 5.791 6.729 1.260 1.00 0.00 C ATOM 1152 CG GLU A 77 5.017 7.002 -0.018 1.00 0.00 C ATOM 1153 CD GLU A 77 5.005 8.472 -0.393 1.00 0.00 C ATOM 1154 OE1 GLU A 77 6.094 9.080 -0.447 1.00 0.00 O ATOM 1155 OE2 GLU A 77 3.905 9.014 -0.632 1.00 0.00 O ATOM 0 H GLU A 77 7.730 7.287 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 77 7.814 7.299 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.355 5.865 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.676 7.579 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.456 6.427 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.991 6.654 0.102 1.00 0.00 H new ATOM 1162 N ASN A 78 8.876 4.693 1.190 1.00 0.00 N ATOM 1163 CA ASN A 78 9.378 3.380 1.541 1.00 0.00 C ATOM 1164 C ASN A 78 8.345 2.687 2.373 1.00 0.00 C ATOM 1165 O ASN A 78 8.485 2.563 3.589 1.00 0.00 O ATOM 1166 CB ASN A 78 10.679 3.391 2.305 1.00 0.00 C ATOM 1167 CG ASN A 78 11.050 1.972 2.660 1.00 0.00 C ATOM 1168 OD1 ASN A 78 10.179 1.148 2.929 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.322 1.671 2.705 1.00 0.00 N ATOM 0 H ASN A 78 9.505 5.236 0.599 1.00 0.00 H new ATOM 0 HA ASN A 78 9.578 2.864 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.465 3.847 1.703 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.580 3.992 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.022 2.377 2.476 1.00 0.00 H new ATOM 1174 N HIS A 79 7.283 2.298 1.726 1.00 0.00 N ATOM 1175 CA HIS A 79 6.196 1.687 2.424 1.00 0.00 C ATOM 1176 C HIS A 79 6.675 0.707 3.465 1.00 0.00 C ATOM 1177 O HIS A 79 7.235 -0.346 3.175 1.00 0.00 O ATOM 1178 CB HIS A 79 5.210 1.073 1.449 1.00 0.00 C ATOM 1179 CG HIS A 79 4.615 2.126 0.595 1.00 0.00 C ATOM 1180 ND1 HIS A 79 3.643 1.918 -0.343 1.00 0.00 N ATOM 1181 CD2 HIS A 79 4.909 3.442 0.556 1.00 0.00 C ATOM 1182 CE1 HIS A 79 3.378 3.093 -0.926 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.122 4.058 -0.412 1.00 0.00 N ATOM 0 H HIS A 79 7.150 2.394 0.719 1.00 0.00 H new ATOM 0 HA HIS A 79 5.665 2.466 2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.714 0.332 0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.425 0.550 1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.639 3.939 1.178 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.652 3.235 -1.713 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.119 5.045 -0.670 1.00 0.00 H new ATOM 1191 N THR A 80 6.450 1.096 4.693 1.00 0.00 N ATOM 1192 CA THR A 80 6.838 0.294 5.830 1.00 0.00 C ATOM 1193 C THR A 80 5.603 -0.376 6.431 1.00 0.00 C ATOM 1194 O THR A 80 5.699 -1.175 7.363 1.00 0.00 O ATOM 1195 CB THR A 80 7.572 1.175 6.842 1.00 0.00 C ATOM 1196 OG1 THR A 80 6.657 1.948 7.598 1.00 0.00 O ATOM 1197 CG2 THR A 80 8.549 2.132 6.175 1.00 0.00 C ATOM 0 H THR A 80 5.994 1.975 4.936 1.00 0.00 H new ATOM 0 HA THR A 80 7.521 -0.499 5.524 1.00 0.00 H new ATOM 0 HB THR A 80 8.124 0.492 7.488 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.587 1.579 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.044 2.735 6.936 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.295 1.563 5.621 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.008 2.785 5.490 1.00 0.00 H new ATOM 1205 N ALA A 81 4.440 -0.049 5.859 1.00 0.00 N ATOM 1206 CA ALA A 81 3.170 -0.606 6.282 1.00 0.00 C ATOM 1207 C ALA A 81 2.098 -0.170 5.291 1.00 0.00 C ATOM 1208 O ALA A 81 2.106 0.972 4.839 1.00 0.00 O ATOM 1209 CB ALA A 81 2.829 -0.156 7.693 1.00 0.00 C ATOM 0 H ALA A 81 4.362 0.613 5.087 1.00 0.00 H new ATOM 0 HA ALA A 81 3.229 -1.694 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.872 -0.585 7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.606 -0.491 8.380 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.763 0.932 7.722 1.00 0.00 H new ATOM 1215 N CYS A 82 1.199 -1.073 4.931 1.00 0.00 N ATOM 1216 CA CYS A 82 0.152 -0.741 3.970 1.00 0.00 C ATOM 1217 C CYS A 82 -1.236 -0.934 4.573 1.00 0.00 C ATOM 1218 O CYS A 82 -1.408 -1.693 5.527 1.00 0.00 O ATOM 1219 CB CYS A 82 0.292 -1.597 2.710 1.00 0.00 C ATOM 1220 SG CYS A 82 0.062 -0.672 1.156 1.00 0.00 S ATOM 0 H CYS A 82 1.170 -2.030 5.283 1.00 0.00 H new ATOM 0 HA CYS A 82 0.268 0.310 3.705 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.280 -2.057 2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.437 -2.407 2.750 1.00 0.00 H new ATOM 1225 N HIS A 83 -2.223 -0.248 4.005 1.00 0.00 N ATOM 1226 CA HIS A 83 -3.596 -0.353 4.482 1.00 0.00 C ATOM 1227 C HIS A 83 -4.579 0.236 3.477 1.00 0.00 C ATOM 1228 O HIS A 83 -4.680 1.451 3.329 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.753 0.340 5.833 1.00 0.00 C ATOM 1230 CG HIS A 83 -3.411 1.796 5.810 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.788 2.547 4.871 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -3.712 2.654 6.846 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 -2.727 3.831 5.354 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -3.291 3.869 6.546 1.00 0.00 N flip ATOM 0 H HIS A 83 -2.097 0.385 3.215 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.822 -1.413 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.782 0.224 6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -3.118 -0.161 6.563 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.214 2.376 7.761 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.288 4.674 4.841 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.386 4.696 7.135 1.00 0.00 H new ATOM 1243 N CYS A 84 -5.301 -0.644 2.795 1.00 0.00 N ATOM 1244 CA CYS A 84 -6.291 -0.237 1.801 1.00 0.00 C ATOM 1245 C CYS A 84 -7.682 -0.708 2.211 1.00 0.00 C ATOM 1246 O CYS A 84 -7.817 -1.619 3.027 1.00 0.00 O ATOM 1247 CB CYS A 84 -5.935 -0.813 0.428 1.00 0.00 C ATOM 1248 SG CYS A 84 -6.478 -2.535 0.175 1.00 0.00 S ATOM 0 H CYS A 84 -5.219 -1.654 2.913 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.289 0.851 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -6.382 -0.186 -0.343 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -4.854 -0.761 0.294 1.00 0.00 H new ATOM 1253 N SER A 85 -8.710 -0.082 1.643 1.00 0.00 N ATOM 1254 CA SER A 85 -10.094 -0.436 1.951 1.00 0.00 C ATOM 1255 C SER A 85 -10.213 -0.992 3.367 1.00 0.00 C ATOM 1256 O SER A 85 -10.986 -1.915 3.621 1.00 0.00 O ATOM 1257 CB SER A 85 -10.618 -1.459 0.943 1.00 0.00 C ATOM 1258 OG SER A 85 -10.366 -2.784 1.381 1.00 0.00 O ATOM 0 H SER A 85 -8.611 0.674 0.966 1.00 0.00 H new ATOM 0 HA SER A 85 -10.697 0.470 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.689 -1.318 0.800 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.143 -1.296 -0.025 1.00 0.00 H new ATOM 0 HG SER A 85 -10.889 -2.966 2.190 1.00 0.00 H new ATOM 1264 N THR A 86 -9.437 -0.425 4.284 1.00 0.00 N ATOM 1265 CA THR A 86 -9.446 -0.862 5.674 1.00 0.00 C ATOM 1266 C THR A 86 -8.648 0.104 6.546 1.00 0.00 C ATOM 1267 O THR A 86 -7.777 -0.308 7.311 1.00 0.00 O ATOM 1268 CB THR A 86 -8.869 -2.276 5.790 1.00 0.00 C ATOM 1269 OG1 THR A 86 -8.917 -2.941 4.539 1.00 0.00 O ATOM 1270 CG2 THR A 86 -9.596 -3.145 6.794 1.00 0.00 C ATOM 0 H THR A 86 -8.792 0.341 4.088 1.00 0.00 H new ATOM 0 HA THR A 86 -10.478 -0.873 6.024 1.00 0.00 H new ATOM 0 HB THR A 86 -7.843 -2.138 6.130 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.192 -2.614 3.966 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.134 -4.132 6.823 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.537 -2.687 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.641 -3.243 6.501 1.00 0.00 H new ATOM 1278 N CYS A 87 -8.953 1.394 6.419 1.00 0.00 N ATOM 1279 CA CYS A 87 -8.268 2.427 7.191 1.00 0.00 C ATOM 1280 C CYS A 87 -8.840 2.522 8.601 1.00 0.00 C ATOM 1281 O CYS A 87 -9.197 3.604 9.064 1.00 0.00 O ATOM 1282 CB CYS A 87 -8.390 3.783 6.490 1.00 0.00 C ATOM 1283 SG CYS A 87 -7.495 3.886 4.904 1.00 0.00 S ATOM 0 H CYS A 87 -9.671 1.748 5.788 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.215 2.153 7.261 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.445 3.995 6.314 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.016 4.560 7.157 1.00 0.00 H new ATOM 1288 N TYR A 88 -8.921 1.382 9.279 1.00 0.00 N ATOM 1289 CA TYR A 88 -9.451 1.336 10.637 1.00 0.00 C ATOM 1290 C TYR A 88 -8.851 0.165 11.414 1.00 0.00 C ATOM 1291 O TYR A 88 -7.801 -0.361 11.046 1.00 0.00 O ATOM 1292 CB TYR A 88 -10.978 1.218 10.602 1.00 0.00 C ATOM 1293 CG TYR A 88 -11.698 2.458 11.089 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -11.709 3.622 10.331 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -12.370 2.461 12.305 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -12.369 4.755 10.771 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -13.033 3.590 12.751 1.00 0.00 C ATOM 1298 CZ TYR A 88 -13.029 4.733 11.982 1.00 0.00 C ATOM 1299 OH TYR A 88 -13.686 5.860 12.423 1.00 0.00 O ATOM 0 H TYR A 88 -8.626 0.478 8.910 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.177 2.261 11.144 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.293 1.004 9.581 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.282 0.369 11.214 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -11.194 3.643 9.382 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.375 1.568 12.912 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -12.368 5.652 10.170 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.552 3.576 13.698 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.100 5.678 13.292 1.00 0.00 H new ATOM 1309 N TYR A 89 -9.526 -0.236 12.490 1.00 0.00 N ATOM 1310 CA TYR A 89 -9.065 -1.342 13.325 1.00 0.00 C ATOM 1311 C TYR A 89 -8.168 -0.837 14.451 1.00 0.00 C ATOM 1312 O TYR A 89 -8.571 -0.810 15.614 1.00 0.00 O ATOM 1313 CB TYR A 89 -8.316 -2.379 12.485 1.00 0.00 C ATOM 1314 CG TYR A 89 -8.588 -3.805 12.913 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -8.509 -4.175 14.250 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -8.927 -4.780 11.981 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -8.760 -5.475 14.647 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -9.180 -6.081 12.371 1.00 0.00 C ATOM 1319 CZ TYR A 89 -9.095 -6.424 13.703 1.00 0.00 C ATOM 1320 OH TYR A 89 -9.347 -7.718 14.094 1.00 0.00 O ATOM 0 H TYR A 89 -10.397 0.191 12.804 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.943 -1.815 13.766 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.598 -2.261 11.439 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.245 -2.185 12.551 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.247 -3.435 14.991 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.994 -4.516 10.936 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.694 -5.746 15.690 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.443 -6.826 11.635 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.570 -8.260 13.308 1.00 0.00 H new ATOM 1330 N HIS A 90 -6.951 -0.435 14.099 1.00 0.00 N ATOM 1331 CA HIS A 90 -6.000 0.072 15.083 1.00 0.00 C ATOM 1332 C HIS A 90 -5.879 1.590 14.990 1.00 0.00 C ATOM 1333 O HIS A 90 -5.824 2.153 13.897 1.00 0.00 O ATOM 1334 CB HIS A 90 -4.629 -0.574 14.883 1.00 0.00 C ATOM 1335 CG HIS A 90 -3.936 -0.906 16.167 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -4.564 -1.539 17.220 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -2.660 -0.688 16.570 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -3.707 -1.696 18.213 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -2.545 -1.187 17.843 1.00 0.00 N ATOM 0 H HIS A 90 -6.600 -0.450 13.141 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.372 -0.186 16.075 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.747 -1.485 14.296 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.999 0.100 14.302 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.880 -0.211 15.996 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.920 -2.161 19.164 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -1.699 -1.168 18.412 1.00 0.00 H new ATOM 1348 N LYS A 91 -5.835 2.245 16.145 1.00 0.00 N ATOM 1349 CA LYS A 91 -5.718 3.698 16.197 1.00 0.00 C ATOM 1350 C LYS A 91 -6.559 4.353 15.107 1.00 0.00 C ATOM 1351 O LYS A 91 -6.132 4.455 13.957 1.00 0.00 O ATOM 1352 CB LYS A 91 -4.255 4.119 16.046 1.00 0.00 C ATOM 1353 CG LYS A 91 -3.714 4.879 17.247 1.00 0.00 C ATOM 1354 CD LYS A 91 -2.762 4.019 18.063 1.00 0.00 C ATOM 1355 CE LYS A 91 -1.622 3.490 17.209 1.00 0.00 C ATOM 1356 NZ LYS A 91 -1.105 4.523 16.269 1.00 0.00 N ATOM 0 H LYS A 91 -5.879 1.793 17.058 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.088 4.031 17.167 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.645 3.231 15.884 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.155 4.742 15.157 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.197 5.777 16.909 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.542 5.206 17.876 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.358 4.604 18.889 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.308 3.184 18.501 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.813 3.150 17.855 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.964 2.623 16.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.135 4.279 15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.714 4.562 15.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.105 5.451 16.739 1.00 0.00 H new ATOM 1370 N SER A 92 -7.756 4.795 15.475 1.00 0.00 N ATOM 1371 CA SER A 92 -8.656 5.439 14.526 1.00 0.00 C ATOM 1372 C SER A 92 -8.113 6.798 14.098 1.00 0.00 C ATOM 1373 O SER A 92 -8.403 7.218 12.958 1.00 0.00 O ATOM 1374 CB SER A 92 -10.048 5.604 15.138 1.00 0.00 C ATOM 1375 OG SER A 92 -10.982 6.043 14.168 1.00 0.00 O ATOM 1376 OXT SER A 92 -7.403 7.432 14.906 1.00 0.00 O ATOM 0 H SER A 92 -8.125 4.719 16.423 1.00 0.00 H new ATOM 0 HA SER A 92 -8.728 4.801 13.645 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.377 4.655 15.561 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.006 6.321 15.958 1.00 0.00 H new ATOM 0 HG SER A 92 -11.454 5.269 13.794 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 12.696 0.293 2.906 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.206 0.183 3.082 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.602 -1.264 3.316 1.00 0.00 C HETATM 1386 C4 NAG A 178 13.799 -1.849 4.461 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.308 -1.631 4.241 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.471 -2.089 5.417 1.00 0.00 C HETATM 1389 C7 NAG A 178 15.701 1.717 1.981 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.370 2.185 0.699 1.00 0.00 C HETATM 1391 N2 NAG A 178 14.873 0.679 1.896 1.00 0.00 N HETATM 1392 O3 NAG A 178 15.985 -1.324 3.634 1.00 0.00 O HETATM 1393 O4 NAG A 178 14.058 -3.262 4.546 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.019 -0.237 4.047 1.00 0.00 O HETATM 1395 O6 NAG A 178 11.796 -1.362 6.593 1.00 0.00 O HETATM 1396 O7 NAG A 178 15.938 2.298 3.041 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.968 -0.425 6.361 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.110 -1.845 4.454 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.708 0.232 0.994 1.00 0.00 H new HETATM 0 H83 NAG A 178 16.966 1.373 0.283 1.00 0.00 H new HETATM 0 H82 NAG A 178 15.608 2.482 -0.022 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.016 3.036 0.915 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.414 -1.959 5.187 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.631 -3.153 5.588 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.055 -2.220 3.359 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.095 -1.352 5.385 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.401 -1.839 2.412 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.504 0.778 3.945 1.00 0.00 H new HETATM 1410 C1 NAG A 179 14.333 -3.745 5.811 1.00 0.00 C HETATM 1411 C2 NAG A 179 14.572 -5.249 5.753 1.00 0.00 C HETATM 1412 C3 NAG A 179 14.989 -5.766 7.114 1.00 0.00 C HETATM 1413 C4 NAG A 179 16.161 -4.968 7.650 1.00 0.00 C HETATM 1414 C5 NAG A 179 15.864 -3.477 7.619 1.00 0.00 C HETATM 1415 C6 NAG A 179 17.064 -2.640 8.019 1.00 0.00 C HETATM 1416 C7 NAG A 179 12.783 -5.643 4.173 1.00 0.00 C HETATM 1417 C8 NAG A 179 11.407 -6.231 3.911 1.00 0.00 C HETATM 1418 N2 NAG A 179 13.351 -5.924 5.344 1.00 0.00 N HETATM 1419 O3 NAG A 179 15.368 -7.130 6.998 1.00 0.00 O HETATM 1420 O4 NAG A 179 16.403 -5.358 9.010 1.00 0.00 O HETATM 1421 O5 NAG A 179 15.488 -3.053 6.297 1.00 0.00 O HETATM 1422 O6 NAG A 179 18.216 -2.999 7.269 1.00 0.00 O HETATM 1423 O7 NAG A 179 13.327 -4.955 3.312 1.00 0.00 O HETATM 0 HO6 NAG A 179 18.973 -2.443 7.546 1.00 0.00 H new HETATM 0 HO3 NAG A 179 15.641 -7.470 7.876 1.00 0.00 H new HETATM 0 HN2 NAG A 179 12.926 -6.618 5.959 1.00 0.00 H new HETATM 0 H83 NAG A 179 11.462 -7.319 3.954 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.708 -5.873 4.667 1.00 0.00 H new HETATM 0 H81 NAG A 179 11.062 -5.924 2.924 1.00 0.00 H new HETATM 0 H62 NAG A 179 16.841 -1.584 7.865 1.00 0.00 H new HETATM 0 H61 NAG A 179 17.264 -2.772 9.082 1.00 0.00 H new HETATM 0 H5 NAG A 179 15.052 -3.327 8.330 1.00 0.00 H new HETATM 0 H4 NAG A 179 17.032 -5.167 7.026 1.00 0.00 H new HETATM 0 H3 NAG A 179 14.150 -5.665 7.802 1.00 0.00 H new HETATM 0 H2 NAG A 179 15.365 -5.448 5.032 1.00 0.00 H new HETATM 1437 C1 BMA A 180 17.717 -5.325 9.434 1.00 0.00 C HETATM 1438 C2 BMA A 180 17.752 -5.506 10.942 1.00 0.00 C HETATM 1439 C3 BMA A 180 19.182 -5.626 11.436 1.00 0.00 C HETATM 1440 C4 BMA A 180 19.929 -6.693 10.650 1.00 0.00 C HETATM 1441 C5 BMA A 180 19.808 -6.434 9.155 1.00 0.00 C HETATM 1442 C6 BMA A 180 20.448 -7.528 8.323 1.00 0.00 C HETATM 1443 O2 BMA A 180 17.041 -6.686 11.286 1.00 0.00 O HETATM 1444 O3 BMA A 180 19.161 -5.989 12.829 1.00 0.00 O HETATM 1445 O4 BMA A 180 21.300 -6.670 11.020 1.00 0.00 O HETATM 1446 O5 BMA A 180 18.428 -6.367 8.756 1.00 0.00 O HETATM 1447 O6 BMA A 180 19.736 -8.766 8.511 1.00 0.00 O HETATM 0 HO4 BMA A 180 21.717 -7.524 10.783 1.00 0.00 H new HETATM 0 HO2 BMA A 180 17.488 -7.130 12.037 1.00 0.00 H new HETATM 0 H62 BMA A 180 20.438 -7.249 7.269 1.00 0.00 H new HETATM 0 H61 BMA A 180 21.492 -7.652 8.610 1.00 0.00 H new HETATM 0 H5 BMA A 180 20.321 -5.488 8.980 1.00 0.00 H new HETATM 0 H4 BMA A 180 19.496 -7.667 10.875 1.00 0.00 H new HETATM 0 H3 BMA A 180 19.690 -4.672 11.299 1.00 0.00 H new HETATM 0 H2 BMA A 180 17.292 -4.636 11.410 1.00 0.00 H new HETATM 1457 C1 MAN A 181 19.785 -5.082 13.690 1.00 0.00 C HETATM 1458 C2 MAN A 181 21.275 -5.060 13.383 1.00 0.00 C HETATM 1459 C3 MAN A 181 21.920 -6.386 13.758 1.00 0.00 C HETATM 1460 C4 MAN A 181 21.595 -6.746 15.198 1.00 0.00 C HETATM 1461 C5 MAN A 181 20.091 -6.705 15.431 1.00 0.00 C HETATM 1462 C6 MAN A 181 19.722 -6.916 16.885 1.00 0.00 C HETATM 1463 O2 MAN A 181 21.899 -4.012 14.146 1.00 0.00 O HETATM 1464 O3 MAN A 181 23.328 -6.278 13.611 1.00 0.00 O HETATM 1465 O4 MAN A 181 22.073 -8.056 15.471 1.00 0.00 O HETATM 1466 O5 MAN A 181 19.549 -5.428 15.049 1.00 0.00 O HETATM 1467 O6 MAN A 181 20.129 -8.197 17.341 1.00 0.00 O HETATM 0 HO6 MAN A 181 19.879 -8.304 18.283 1.00 0.00 H new HETATM 0 HO4 MAN A 181 21.527 -8.463 16.175 1.00 0.00 H new HETATM 0 HO3 MAN A 181 23.618 -5.383 13.885 1.00 0.00 H new HETATM 0 H62 MAN A 181 20.190 -6.145 17.497 1.00 0.00 H new HETATM 0 H61 MAN A 181 18.644 -6.810 17.008 1.00 0.00 H new HETATM 0 H5 MAN A 181 19.680 -7.512 14.825 1.00 0.00 H new HETATM 0 H4 MAN A 181 22.075 -6.024 15.859 1.00 0.00 H new HETATM 0 H3 MAN A 181 21.532 -7.166 13.102 1.00 0.00 H new HETATM 0 H2 MAN A 181 21.408 -4.888 12.315 1.00 0.00 H new HETATM 1478 C1 MAN A 182 20.392 -9.601 9.418 1.00 0.00 C HETATM 1479 C2 MAN A 182 21.702 -10.066 8.792 1.00 0.00 C HETATM 1480 C3 MAN A 182 21.454 -11.057 7.663 1.00 0.00 C HETATM 1481 C4 MAN A 182 20.546 -12.181 8.130 1.00 0.00 C HETATM 1482 C5 MAN A 182 19.268 -11.615 8.726 1.00 0.00 C HETATM 1483 C6 MAN A 182 18.375 -12.694 9.305 1.00 0.00 C HETATM 1484 O2 MAN A 182 22.489 -10.706 9.801 1.00 0.00 O HETATM 1485 O3 MAN A 182 22.695 -11.606 7.247 1.00 0.00 O HETATM 1486 O4 MAN A 182 20.222 -13.010 7.023 1.00 0.00 O HETATM 1487 O5 MAN A 182 19.570 -10.705 9.796 1.00 0.00 O HETATM 1488 O6 MAN A 182 19.031 -13.406 10.343 1.00 0.00 O HETATM 0 HO6 MAN A 182 19.665 -12.812 10.797 1.00 0.00 H new HETATM 0 HO4 MAN A 182 19.921 -13.885 7.346 1.00 0.00 H new HETATM 0 HO3 MAN A 182 23.360 -11.488 7.958 1.00 0.00 H new HETATM 0 H62 MAN A 182 17.461 -12.243 9.692 1.00 0.00 H new HETATM 0 H61 MAN A 182 18.080 -13.386 8.517 1.00 0.00 H new HETATM 0 H5 MAN A 182 18.753 -11.112 7.907 1.00 0.00 H new HETATM 0 H4 MAN A 182 21.064 -12.762 8.893 1.00 0.00 H new HETATM 0 H3 MAN A 182 20.973 -10.536 6.835 1.00 0.00 H new HETATM 0 H2 MAN A 182 22.219 -9.198 8.382 1.00 0.00 H new HETATM 1499 C1 NAG A 183 23.551 -9.979 10.301 1.00 0.00 C HETATM 1500 C2 NAG A 183 24.301 -10.844 11.313 1.00 0.00 C HETATM 1501 C3 NAG A 183 25.542 -10.126 11.807 1.00 0.00 C HETATM 1502 C4 NAG A 183 26.390 -9.679 10.634 1.00 0.00 C HETATM 1503 C5 NAG A 183 25.556 -8.886 9.642 1.00 0.00 C HETATM 1504 C6 NAG A 183 26.337 -8.524 8.394 1.00 0.00 C HETATM 1505 C7 NAG A 183 22.891 -12.327 12.564 1.00 0.00 C HETATM 1506 C8 NAG A 183 21.694 -12.462 13.490 1.00 0.00 C HETATM 1507 N2 NAG A 183 23.424 -11.118 12.432 1.00 0.00 N HETATM 1508 O3 NAG A 183 26.297 -11.012 12.621 1.00 0.00 O HETATM 1509 O4 NAG A 183 27.463 -8.845 11.110 1.00 0.00 O HETATM 1510 O5 NAG A 183 24.410 -9.644 9.215 1.00 0.00 O HETATM 1511 O6 NAG A 183 25.571 -7.709 7.516 1.00 0.00 O HETATM 1512 O7 NAG A 183 23.322 -13.317 11.972 1.00 0.00 O HETATM 0 HO6 NAG A 183 24.621 -7.934 7.606 1.00 0.00 H new HETATM 0 HO3 NAG A 183 26.774 -10.500 13.307 1.00 0.00 H new HETATM 0 HN2 NAG A 183 23.217 -10.388 13.114 1.00 0.00 H new HETATM 0 H83 NAG A 183 21.977 -12.158 14.498 1.00 0.00 H new HETATM 0 H82 NAG A 183 20.884 -11.825 13.133 1.00 0.00 H new HETATM 0 H81 NAG A 183 21.360 -13.500 13.504 1.00 0.00 H new HETATM 0 H62 NAG A 183 27.250 -7.999 8.675 1.00 0.00 H new HETATM 0 H61 NAG A 183 26.639 -9.434 7.876 1.00 0.00 H new HETATM 0 H5 NAG A 183 25.256 -7.978 10.165 1.00 0.00 H new HETATM 0 H4 NAG A 183 26.789 -10.564 10.138 1.00 0.00 H new HETATM 0 H3 NAG A 183 25.244 -9.250 12.383 1.00 0.00 H new HETATM 0 H2 NAG A 183 24.606 -11.775 10.835 1.00 0.00 H new HETATM 1526 C1 NAG A 184 22.304 -2.889 13.442 1.00 0.00 C HETATM 1527 C2 NAG A 184 23.293 -2.092 14.291 1.00 0.00 C HETATM 1528 C3 NAG A 184 23.837 -0.914 13.505 1.00 0.00 C HETATM 1529 C4 NAG A 184 24.400 -1.381 12.176 1.00 0.00 C HETATM 1530 C5 NAG A 184 23.374 -2.219 11.428 1.00 0.00 C HETATM 1531 C6 NAG A 184 23.931 -2.812 10.149 1.00 0.00 C HETATM 1532 C7 NAG A 184 23.041 -1.970 16.685 1.00 0.00 C HETATM 1533 C8 NAG A 184 22.297 -1.401 17.883 1.00 0.00 C HETATM 1534 N2 NAG A 184 22.622 -1.603 15.479 1.00 0.00 N HETATM 1535 O3 NAG A 184 24.866 -0.288 14.255 1.00 0.00 O HETATM 1536 O4 NAG A 184 24.755 -0.235 11.370 1.00 0.00 O HETATM 1537 O5 NAG A 184 22.925 -3.324 12.234 1.00 0.00 O HETATM 1538 O6 NAG A 184 24.378 -1.798 9.261 1.00 0.00 O HETATM 1539 O7 NAG A 184 23.987 -2.737 16.858 1.00 0.00 O HETATM 0 HO6 NAG A 184 24.498 -0.960 9.755 1.00 0.00 H new HETATM 0 HO3 NAG A 184 25.658 -0.172 13.690 1.00 0.00 H new HETATM 0 HN2 NAG A 184 21.824 -0.974 15.389 1.00 0.00 H new HETATM 0 H83 NAG A 184 22.365 -0.313 17.870 1.00 0.00 H new HETATM 0 H82 NAG A 184 21.250 -1.699 17.836 1.00 0.00 H new HETATM 0 H81 NAG A 184 22.742 -1.782 18.802 1.00 0.00 H new HETATM 0 H62 NAG A 184 24.758 -3.481 10.386 1.00 0.00 H new HETATM 0 H61 NAG A 184 23.164 -3.414 9.661 1.00 0.00 H new HETATM 0 H5 NAG A 184 22.556 -1.538 11.195 1.00 0.00 H new HETATM 0 H4 NAG A 184 25.284 -1.989 12.368 1.00 0.00 H new HETATM 0 H3 NAG A 184 23.028 -0.208 13.318 1.00 0.00 H new HETATM 0 H2 NAG A 184 24.121 -2.744 14.571 1.00 0.00 H new HETATM 1553 C1 GAL A 185 24.205 0.982 11.745 1.00 0.00 C HETATM 1554 C2 GAL A 185 24.713 2.080 10.821 1.00 0.00 C HETATM 1555 C3 GAL A 185 24.037 3.402 11.141 1.00 0.00 C HETATM 1556 C4 GAL A 185 22.526 3.240 11.167 1.00 0.00 C HETATM 1557 C5 GAL A 185 22.124 2.087 12.074 1.00 0.00 C HETATM 1558 C6 GAL A 185 20.633 1.813 12.032 1.00 0.00 C HETATM 1559 O2 GAL A 185 26.116 2.220 10.995 1.00 0.00 O HETATM 1560 O3 GAL A 185 24.384 4.357 10.148 1.00 0.00 O HETATM 1561 O4 GAL A 185 22.064 2.977 9.851 1.00 0.00 O HETATM 1562 O5 GAL A 185 22.780 0.868 11.679 1.00 0.00 O HETATM 1563 O6 GAL A 185 19.890 2.944 12.466 1.00 0.00 O HETATM 0 HO6 GAL A 185 18.932 2.741 12.427 1.00 0.00 H new HETATM 0 HO4 GAL A 185 22.041 2.009 9.700 1.00 0.00 H new HETATM 0 HO3 GAL A 185 23.751 4.299 9.402 1.00 0.00 H new HETATM 0 HO2 GAL A 185 26.492 1.374 11.317 1.00 0.00 H new HETATM 0 H62 GAL A 185 20.338 1.548 11.017 1.00 0.00 H new HETATM 0 H61 GAL A 185 20.400 0.957 12.665 1.00 0.00 H new HETATM 0 H5 GAL A 185 22.418 2.388 13.079 1.00 0.00 H new HETATM 0 H4 GAL A 185 22.082 4.159 11.549 1.00 0.00 H new HETATM 0 H3 GAL A 185 24.372 3.737 12.123 1.00 0.00 H new HETATM 0 H2 GAL A 185 24.484 1.809 9.790 1.00 0.00 H new HETATM 1575 C1 GAL A 186 28.744 -9.297 10.848 1.00 0.00 C HETATM 1576 C2 GAL A 186 29.025 -10.543 11.676 1.00 0.00 C HETATM 1577 C3 GAL A 186 30.381 -11.124 11.316 1.00 0.00 C HETATM 1578 C4 GAL A 186 30.493 -11.330 9.815 1.00 0.00 C HETATM 1579 C5 GAL A 186 30.144 -10.048 9.069 1.00 0.00 C HETATM 1580 C6 GAL A 186 30.122 -10.246 7.568 1.00 0.00 C HETATM 1581 O2 GAL A 186 29.016 -10.194 13.052 1.00 0.00 O HETATM 1582 O3 GAL A 186 30.542 -12.374 11.970 1.00 0.00 O HETATM 1583 O4 GAL A 186 29.595 -12.356 9.420 1.00 0.00 O HETATM 1584 O5 GAL A 186 28.837 -9.572 9.443 1.00 0.00 O HETATM 1585 O6 GAL A 186 31.395 -10.650 7.084 1.00 0.00 O HETATM 0 HO6 GAL A 186 31.352 -10.772 6.113 1.00 0.00 H new HETATM 0 HO4 GAL A 186 28.732 -11.960 9.177 1.00 0.00 H new HETATM 0 HO3 GAL A 186 30.330 -13.099 11.346 1.00 0.00 H new HETATM 0 HO2 GAL A 186 29.195 -10.991 13.593 1.00 0.00 H new HETATM 0 H62 GAL A 186 29.376 -10.997 7.309 1.00 0.00 H new HETATM 0 H61 GAL A 186 29.822 -9.318 7.081 1.00 0.00 H new HETATM 0 H5 GAL A 186 30.919 -9.331 9.340 1.00 0.00 H new HETATM 0 H4 GAL A 186 31.519 -11.609 9.574 1.00 0.00 H new HETATM 0 H3 GAL A 186 31.157 -10.428 11.635 1.00 0.00 H new HETATM 0 H2 GAL A 186 28.257 -11.289 11.470 1.00 0.00 H new