USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=52 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 184 NAG O3 : rot 177:sc= 0.59 USER MOD Set 1.2: A 185 GAL O2 : rot 180:sc= 0.96 USER MOD Set 2.1: A 183 NAG O3 : rot 158:sc= 0.62 USER MOD Set 2.2: A 186 GAL O6 : rot 180:sc= 0.881 USER MOD Set 3.1: A 83 HIS :FLIP no HD1:sc= -2.47 F(o=-4.9!,f=-2.4) USER MOD Set 3.2: A 86 THR OG1 : rot 149:sc= 0.0411 USER MOD Set 4.1: A 47 MET CE :methyl -107:sc= -0.284 (180deg=0) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -0.0829 F(o=-4.8,f=-0.37) USER MOD Set 5.1: A 13 GLN : amide:sc= -0.0876 K(o=-4.2,f=-5.3) USER MOD Set 5.2: A 29 MET CE :methyl -140:sc= -4.1! (180deg=-2.57!) USER MOD Single : A 1 ALA N :NH3+ -123:sc= -2.85! (180deg=-5.94!) USER MOD Single : A 5 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.0058) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0596! USER MOD Single : A 15 ASN : amide:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 19 SER OG : rot 149:sc= 0.98 USER MOD Single : A 20 GLN : amide:sc= -0.331 K(o=-0.33,f=-3.1!) USER MOD Single : A 27 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.3!) 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 47:sc= 0.382 USER MOD Single : A 43 SER OG : rot 180:sc= 0.193 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000753) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.853 X(o=-0.85,f=-0.59) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -150:sc= 0.113 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.924 K(o=-0.92,f=-6.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 71 MET CE :methyl -160:sc= -4.95! (180deg=-7.52!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -22.2! C(o=-22!,f=-25!) USER MOD Single : A 80 THR OG1 : rot 130:sc= -2.95! USER MOD Single : A 85 SER OG : rot 98:sc= -0.32! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= -0.0526 USER MOD Single : A 179 NAG O3 : rot -97:sc= 0.777 USER MOD Single : A 179 NAG O6 : rot 27:sc= 0.0144 USER MOD Single : A 180 BMA O2 : rot 151:sc= -0.448 USER MOD Single : A 180 BMA O4 : rot 160:sc= -0.0319 USER MOD Single : A 181 MAN O3 : rot -1:sc= 0.705 USER MOD Single : A 181 MAN O4 : rot -154:sc= 0.883 USER MOD Single : A 181 MAN O6 : rot 180:sc= 0.78 USER MOD Single : A 182 MAN O3 : rot 25:sc= 0.065 USER MOD Single : A 182 MAN O4 : rot -156:sc= 0.942 USER MOD Single : A 182 MAN O6 : rot 180:sc= 0.8 USER MOD Single : A 183 NAG O6 : rot -27:sc= 0.0211 USER MOD Single : A 184 NAG O6 : rot 100:sc= 0.737 USER MOD Single : A 185 GAL O3 : rot 99:sc= 0.0756 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0789 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O2 : rot 30:sc= 0.00278 USER MOD Single : A 186 GAL O3 : rot 88:sc= 0.085 USER MOD Single : A 186 GAL O4 : rot 131:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.303 -19.593 -5.984 1.00 0.00 N ATOM 2 CA ALA A 1 -12.205 -18.559 -4.922 1.00 0.00 C ATOM 3 C ALA A 1 -10.912 -17.762 -5.053 1.00 0.00 C ATOM 4 O ALA A 1 -10.935 -16.540 -5.192 1.00 0.00 O ATOM 5 CB ALA A 1 -12.291 -19.206 -3.548 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.179 -19.452 -6.526 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.485 -19.515 -6.621 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.313 -20.538 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.041 -17.869 -5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.218 -18.437 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.243 -19.728 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.474 -19.917 -3.429 1.00 0.00 H new ATOM 13 N PRO A 2 -9.761 -18.451 -5.016 1.00 0.00 N ATOM 14 CA PRO A 2 -8.448 -17.808 -5.136 1.00 0.00 C ATOM 15 C PRO A 2 -8.294 -17.070 -6.461 1.00 0.00 C ATOM 16 O PRO A 2 -7.637 -17.555 -7.382 1.00 0.00 O ATOM 17 CB PRO A 2 -7.457 -18.978 -5.051 1.00 0.00 C ATOM 18 CG PRO A 2 -8.262 -20.196 -5.356 1.00 0.00 C ATOM 19 CD PRO A 2 -9.648 -19.909 -4.860 1.00 0.00 C ATOM 0 HA PRO A 2 -8.291 -17.054 -4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.642 -18.856 -5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.007 -19.041 -4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.266 -20.404 -6.426 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.845 -21.074 -4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.403 -20.437 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.776 -20.215 -3.822 1.00 0.00 H new ATOM 27 N ASP A 3 -8.909 -15.895 -6.551 1.00 0.00 N ATOM 28 CA ASP A 3 -8.847 -15.089 -7.764 1.00 0.00 C ATOM 29 C ASP A 3 -8.309 -13.695 -7.469 1.00 0.00 C ATOM 30 O ASP A 3 -8.882 -12.951 -6.673 1.00 0.00 O ATOM 31 CB ASP A 3 -10.232 -14.989 -8.403 1.00 0.00 C ATOM 32 CG ASP A 3 -10.207 -15.313 -9.883 1.00 0.00 C ATOM 33 OD1 ASP A 3 -9.636 -16.360 -10.252 1.00 0.00 O ATOM 34 OD2 ASP A 3 -10.755 -14.517 -10.674 1.00 0.00 O ATOM 0 H ASP A 3 -9.456 -15.480 -5.797 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.166 -15.579 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.914 -15.671 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.624 -13.982 -8.260 1.00 0.00 H new ATOM 39 N VAL A 4 -7.200 -13.349 -8.113 1.00 0.00 N ATOM 40 CA VAL A 4 -6.577 -12.046 -7.921 1.00 0.00 C ATOM 41 C VAL A 4 -6.246 -11.394 -9.261 1.00 0.00 C ATOM 42 O VAL A 4 -6.270 -12.052 -10.301 1.00 0.00 O ATOM 43 CB VAL A 4 -5.292 -12.167 -7.083 1.00 0.00 C ATOM 44 CG1 VAL A 4 -5.627 -12.567 -5.655 1.00 0.00 C ATOM 45 CG2 VAL A 4 -4.337 -13.171 -7.713 1.00 0.00 C ATOM 0 H VAL A 4 -6.713 -13.955 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.293 -11.420 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.799 -11.195 -7.061 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.708 -12.649 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.273 -11.811 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.141 -13.528 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.434 -13.244 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.818 -14.148 -7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.074 -12.842 -8.718 1.00 0.00 H new ATOM 55 N GLN A 5 -5.945 -10.099 -9.235 1.00 0.00 N ATOM 56 CA GLN A 5 -5.618 -9.375 -10.459 1.00 0.00 C ATOM 57 C GLN A 5 -4.894 -8.066 -10.160 1.00 0.00 C ATOM 58 O GLN A 5 -5.430 -7.190 -9.482 1.00 0.00 O ATOM 59 CB GLN A 5 -6.892 -9.090 -11.255 1.00 0.00 C ATOM 60 CG GLN A 5 -6.895 -9.712 -12.641 1.00 0.00 C ATOM 61 CD GLN A 5 -8.250 -9.624 -13.312 1.00 0.00 C ATOM 62 OE1 GLN A 5 -8.361 -9.205 -14.464 1.00 0.00 O ATOM 63 NE2 GLN A 5 -9.293 -10.017 -12.588 1.00 0.00 N ATOM 0 H GLN A 5 -5.921 -9.533 -8.387 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.950 -10.003 -11.048 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.750 -9.463 -10.697 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.018 -8.011 -11.350 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.152 -9.212 -13.262 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.597 -10.758 -12.567 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.154 -10.358 -11.637 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.232 -9.978 -12.984 1.00 0.00 H new ATOM 72 N ASP A 6 -3.679 -7.938 -10.686 1.00 0.00 N ATOM 73 CA ASP A 6 -2.877 -6.733 -10.495 1.00 0.00 C ATOM 74 C ASP A 6 -3.093 -6.135 -9.104 1.00 0.00 C ATOM 75 O ASP A 6 -3.562 -6.818 -8.194 1.00 0.00 O ATOM 76 CB ASP A 6 -3.218 -5.701 -11.575 1.00 0.00 C ATOM 77 CG ASP A 6 -2.646 -6.070 -12.930 1.00 0.00 C ATOM 78 OD1 ASP A 6 -3.024 -7.136 -13.462 1.00 0.00 O ATOM 79 OD2 ASP A 6 -1.822 -5.296 -13.458 1.00 0.00 O ATOM 0 H ASP A 6 -3.227 -8.657 -11.250 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.826 -7.008 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.301 -5.607 -11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.835 -4.726 -11.275 1.00 0.00 H new ATOM 84 N CYS A 7 -2.737 -4.857 -8.953 1.00 0.00 N ATOM 85 CA CYS A 7 -2.873 -4.145 -7.680 1.00 0.00 C ATOM 86 C CYS A 7 -3.542 -5.001 -6.611 1.00 0.00 C ATOM 87 O CYS A 7 -4.763 -4.981 -6.456 1.00 0.00 O ATOM 88 CB CYS A 7 -3.670 -2.853 -7.869 1.00 0.00 C ATOM 89 SG CYS A 7 -4.276 -2.131 -6.309 1.00 0.00 S ATOM 0 H CYS A 7 -2.348 -4.289 -9.706 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.864 -3.909 -7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.043 -2.121 -8.378 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.520 -3.053 -8.521 1.00 0.00 H new ATOM 94 N PRO A 8 -2.742 -5.761 -5.851 1.00 0.00 N ATOM 95 CA PRO A 8 -3.245 -6.622 -4.783 1.00 0.00 C ATOM 96 C PRO A 8 -3.492 -5.845 -3.493 1.00 0.00 C ATOM 97 O PRO A 8 -3.199 -6.331 -2.401 1.00 0.00 O ATOM 98 CB PRO A 8 -2.109 -7.621 -4.599 1.00 0.00 C ATOM 99 CG PRO A 8 -0.879 -6.839 -4.914 1.00 0.00 C ATOM 100 CD PRO A 8 -1.273 -5.836 -5.971 1.00 0.00 C ATOM 0 HA PRO A 8 -4.204 -7.080 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.083 -8.011 -3.582 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.219 -8.476 -5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.499 -6.337 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.085 -7.492 -5.275 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.807 -4.866 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.968 -6.162 -6.966 1.00 0.00 H new ATOM 108 N GLU A 9 -4.028 -4.633 -3.634 1.00 0.00 N ATOM 109 CA GLU A 9 -4.315 -3.772 -2.488 1.00 0.00 C ATOM 110 C GLU A 9 -3.168 -2.797 -2.238 1.00 0.00 C ATOM 111 O GLU A 9 -1.997 -3.147 -2.386 1.00 0.00 O ATOM 112 CB GLU A 9 -4.574 -4.608 -1.232 1.00 0.00 C ATOM 113 CG GLU A 9 -5.472 -3.919 -0.217 1.00 0.00 C ATOM 114 CD GLU A 9 -4.703 -3.372 0.970 1.00 0.00 C ATOM 115 OE1 GLU A 9 -3.862 -2.470 0.768 1.00 0.00 O ATOM 116 OE2 GLU A 9 -4.939 -3.847 2.101 1.00 0.00 O ATOM 0 H GLU A 9 -4.273 -4.224 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.213 -3.200 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.029 -5.555 -1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.620 -4.844 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.006 -3.104 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.223 -4.626 0.136 1.00 0.00 H new ATOM 123 N CYS A 10 -3.516 -1.569 -1.860 1.00 0.00 N ATOM 124 CA CYS A 10 -2.523 -0.535 -1.587 1.00 0.00 C ATOM 125 C CYS A 10 -1.308 -1.120 -0.872 1.00 0.00 C ATOM 126 O CYS A 10 -1.446 -1.934 0.042 1.00 0.00 O ATOM 127 CB CYS A 10 -3.152 0.585 -0.745 1.00 0.00 C ATOM 128 SG CYS A 10 -2.218 1.019 0.762 1.00 0.00 S ATOM 0 H CYS A 10 -4.482 -1.266 -1.736 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.186 -0.120 -2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.250 1.476 -1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.159 0.284 -0.458 1.00 0.00 H new ATOM 133 N THR A 11 -0.117 -0.696 -1.288 1.00 0.00 N ATOM 134 CA THR A 11 1.119 -1.174 -0.682 1.00 0.00 C ATOM 135 C THR A 11 2.324 -0.627 -1.424 1.00 0.00 C ATOM 136 O THR A 11 2.209 0.306 -2.215 1.00 0.00 O ATOM 137 CB THR A 11 1.163 -2.704 -0.675 1.00 0.00 C ATOM 138 OG1 THR A 11 2.439 -3.167 -0.268 1.00 0.00 O ATOM 139 CG2 THR A 11 0.861 -3.319 -2.025 1.00 0.00 C ATOM 0 H THR A 11 0.016 -0.022 -2.042 1.00 0.00 H new ATOM 0 HA THR A 11 1.148 -0.818 0.348 1.00 0.00 H new ATOM 0 HB THR A 11 0.388 -3.011 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.447 -4.147 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.909 -4.405 -1.949 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.138 -3.021 -2.345 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.594 -2.974 -2.754 1.00 0.00 H new ATOM 147 N LEU A 12 3.480 -1.215 -1.162 1.00 0.00 N ATOM 148 CA LEU A 12 4.709 -0.787 -1.802 1.00 0.00 C ATOM 149 C LEU A 12 4.943 -1.545 -3.091 1.00 0.00 C ATOM 150 O LEU A 12 4.760 -2.761 -3.155 1.00 0.00 O ATOM 151 CB LEU A 12 5.887 -0.986 -0.864 1.00 0.00 C ATOM 152 CG LEU A 12 6.006 0.058 0.237 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.680 0.216 0.959 1.00 0.00 C ATOM 154 CD2 LEU A 12 7.109 -0.335 1.203 1.00 0.00 C ATOM 0 H LEU A 12 3.591 -1.991 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 12 4.614 0.273 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.806 -1.971 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.806 -0.982 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 12 6.263 1.019 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.780 0.966 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.915 0.533 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.391 -0.737 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.189 0.416 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.875 -1.302 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.056 -0.402 0.667 1.00 0.00 H new ATOM 166 N GLN A 13 5.358 -0.822 -4.118 1.00 0.00 N ATOM 167 CA GLN A 13 5.626 -1.436 -5.401 1.00 0.00 C ATOM 168 C GLN A 13 7.103 -1.460 -5.676 1.00 0.00 C ATOM 169 O GLN A 13 7.580 -0.958 -6.692 1.00 0.00 O ATOM 170 CB GLN A 13 4.910 -0.710 -6.507 1.00 0.00 C ATOM 171 CG GLN A 13 3.452 -1.104 -6.619 1.00 0.00 C ATOM 172 CD GLN A 13 3.012 -1.332 -8.051 1.00 0.00 C ATOM 173 OE1 GLN A 13 3.424 -0.614 -8.962 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.170 -2.339 -8.256 1.00 0.00 N ATOM 0 H GLN A 13 5.515 0.185 -4.086 1.00 0.00 H new ATOM 0 HA GLN A 13 5.256 -2.461 -5.364 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.979 0.364 -6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.411 -0.914 -7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.281 -2.013 -6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.835 -0.324 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.855 -2.908 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.839 -2.543 -9.199 1.00 0.00 H new ATOM 183 N GLU A 14 7.798 -2.042 -4.733 1.00 0.00 N ATOM 184 CA GLU A 14 9.251 -2.169 -4.776 1.00 0.00 C ATOM 185 C GLU A 14 9.814 -1.573 -6.044 1.00 0.00 C ATOM 186 O GLU A 14 9.457 -1.957 -7.157 1.00 0.00 O ATOM 187 CB GLU A 14 9.694 -3.619 -4.653 1.00 0.00 C ATOM 188 CG GLU A 14 11.205 -3.785 -4.588 1.00 0.00 C ATOM 189 CD GLU A 14 11.654 -5.182 -4.968 1.00 0.00 C ATOM 190 OE1 GLU A 14 10.941 -6.148 -4.626 1.00 0.00 O ATOM 191 OE2 GLU A 14 12.718 -5.309 -5.609 1.00 0.00 O ATOM 0 H GLU A 14 7.375 -2.450 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 14 9.640 -1.616 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.249 -4.052 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.310 -4.182 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.675 -3.062 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.549 -3.559 -3.579 1.00 0.00 H new ATOM 198 N ASN A 15 10.689 -0.626 -5.846 1.00 0.00 N ATOM 199 CA ASN A 15 11.330 0.081 -6.932 1.00 0.00 C ATOM 200 C ASN A 15 11.919 -0.868 -7.954 1.00 0.00 C ATOM 201 O ASN A 15 13.036 -1.359 -7.789 1.00 0.00 O ATOM 202 CB ASN A 15 12.415 0.988 -6.391 1.00 0.00 C ATOM 203 CG ASN A 15 12.379 2.359 -7.021 1.00 0.00 C ATOM 204 OD1 ASN A 15 13.289 2.749 -7.752 1.00 0.00 O ATOM 205 ND2 ASN A 15 11.318 3.097 -6.739 1.00 0.00 N ATOM 0 H ASN A 15 10.983 -0.317 -4.920 1.00 0.00 H new ATOM 0 HA ASN A 15 10.566 0.677 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.302 1.083 -5.311 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.389 0.533 -6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.229 4.033 -7.133 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.589 2.730 -6.127 1.00 0.00 H new ATOM 212 N PRO A 16 11.198 -1.105 -9.054 1.00 0.00 N ATOM 213 CA PRO A 16 11.677 -1.960 -10.131 1.00 0.00 C ATOM 214 C PRO A 16 12.791 -1.253 -10.886 1.00 0.00 C ATOM 215 O PRO A 16 13.089 -1.565 -12.039 1.00 0.00 O ATOM 216 CB PRO A 16 10.444 -2.153 -11.032 1.00 0.00 C ATOM 217 CG PRO A 16 9.295 -1.552 -10.282 1.00 0.00 C ATOM 218 CD PRO A 16 9.888 -0.528 -9.358 1.00 0.00 C ATOM 0 HA PRO A 16 12.084 -2.909 -9.781 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.582 -1.662 -11.995 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.269 -3.210 -11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.581 -1.092 -10.966 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.754 -2.315 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.974 0.448 -9.835 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.285 -0.392 -8.460 1.00 0.00 H new ATOM 226 N PHE A 17 13.383 -0.270 -10.210 1.00 0.00 N ATOM 227 CA PHE A 17 14.448 0.537 -10.771 1.00 0.00 C ATOM 228 C PHE A 17 15.684 0.514 -9.879 1.00 0.00 C ATOM 229 O PHE A 17 16.781 0.175 -10.324 1.00 0.00 O ATOM 230 CB PHE A 17 13.954 1.974 -10.918 1.00 0.00 C ATOM 231 CG PHE A 17 14.845 2.833 -11.760 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.803 2.262 -12.578 1.00 0.00 C ATOM 233 CD2 PHE A 17 14.717 4.210 -11.736 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.623 3.052 -13.361 1.00 0.00 C ATOM 235 CE2 PHE A 17 15.534 5.007 -12.514 1.00 0.00 C ATOM 236 CZ PHE A 17 16.488 4.427 -13.330 1.00 0.00 C ATOM 0 H PHE A 17 13.132 -0.015 -9.255 1.00 0.00 H new ATOM 0 HA PHE A 17 14.723 0.127 -11.743 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.956 1.963 -11.355 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.863 2.421 -9.928 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.911 1.188 -12.605 1.00 0.00 H new ATOM 0 HD2 PHE A 17 13.971 4.667 -11.103 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.368 2.596 -13.996 1.00 0.00 H new ATOM 0 HE2 PHE A 17 15.428 6.081 -12.485 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.126 5.047 -13.942 1.00 0.00 H new ATOM 246 N PHE A 18 15.495 0.889 -8.618 1.00 0.00 N ATOM 247 CA PHE A 18 16.590 0.925 -7.656 1.00 0.00 C ATOM 248 C PHE A 18 16.841 -0.453 -7.056 1.00 0.00 C ATOM 249 O PHE A 18 17.798 -0.648 -6.308 1.00 0.00 O ATOM 250 CB PHE A 18 16.283 1.930 -6.543 1.00 0.00 C ATOM 251 CG PHE A 18 15.708 3.220 -7.048 1.00 0.00 C ATOM 252 CD1 PHE A 18 15.921 3.613 -8.356 1.00 0.00 C ATOM 253 CD2 PHE A 18 14.958 4.041 -6.218 1.00 0.00 C ATOM 254 CE1 PHE A 18 15.401 4.799 -8.834 1.00 0.00 C ATOM 255 CE2 PHE A 18 14.433 5.231 -6.693 1.00 0.00 C ATOM 256 CZ PHE A 18 14.655 5.608 -8.002 1.00 0.00 C ATOM 0 H PHE A 18 14.592 1.173 -8.238 1.00 0.00 H new ATOM 0 HA PHE A 18 17.491 1.237 -8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 18 15.583 1.479 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.199 2.140 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.502 2.983 -9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.782 3.749 -5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.578 5.093 -9.858 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.850 5.864 -6.040 1.00 0.00 H new ATOM 0 HZ PHE A 18 14.245 6.535 -8.375 1.00 0.00 H new ATOM 266 N SER A 19 15.976 -1.406 -7.388 1.00 0.00 N ATOM 267 CA SER A 19 16.112 -2.764 -6.878 1.00 0.00 C ATOM 268 C SER A 19 17.437 -3.372 -7.310 1.00 0.00 C ATOM 269 O SER A 19 17.506 -4.102 -8.299 1.00 0.00 O ATOM 270 CB SER A 19 14.954 -3.640 -7.358 1.00 0.00 C ATOM 271 OG SER A 19 14.838 -4.810 -6.565 1.00 0.00 O ATOM 0 H SER A 19 15.177 -1.263 -8.005 1.00 0.00 H new ATOM 0 HA SER A 19 16.088 -2.717 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.023 -3.074 -7.315 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.111 -3.917 -8.400 1.00 0.00 H new ATOM 0 HG SER A 19 13.899 -5.088 -6.528 1.00 0.00 H new ATOM 277 N GLN A 20 18.486 -3.075 -6.555 1.00 0.00 N ATOM 278 CA GLN A 20 19.808 -3.600 -6.854 1.00 0.00 C ATOM 279 C GLN A 20 20.082 -4.824 -5.996 1.00 0.00 C ATOM 280 O GLN A 20 19.650 -4.886 -4.850 1.00 0.00 O ATOM 281 CB GLN A 20 20.873 -2.534 -6.596 1.00 0.00 C ATOM 282 CG GLN A 20 20.630 -1.236 -7.346 1.00 0.00 C ATOM 283 CD GLN A 20 20.541 -1.436 -8.846 1.00 0.00 C ATOM 284 OE1 GLN A 20 19.566 -1.991 -9.354 1.00 0.00 O ATOM 285 NE2 GLN A 20 21.562 -0.982 -9.564 1.00 0.00 N ATOM 0 H GLN A 20 18.446 -2.474 -5.732 1.00 0.00 H new ATOM 0 HA GLN A 20 19.844 -3.883 -7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.913 -2.324 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.848 -2.931 -6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.706 -0.782 -6.988 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.436 -0.536 -7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.349 -0.528 -9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.559 -1.087 -10.579 1.00 0.00 H new ATOM 294 N PRO A 21 20.805 -5.814 -6.541 1.00 0.00 N ATOM 295 CA PRO A 21 21.141 -7.038 -5.817 1.00 0.00 C ATOM 296 C PRO A 21 21.596 -6.737 -4.394 1.00 0.00 C ATOM 297 O PRO A 21 22.772 -6.881 -4.060 1.00 0.00 O ATOM 298 CB PRO A 21 22.286 -7.653 -6.640 1.00 0.00 C ATOM 299 CG PRO A 21 22.590 -6.667 -7.729 1.00 0.00 C ATOM 300 CD PRO A 21 21.362 -5.821 -7.894 1.00 0.00 C ATOM 0 HA PRO A 21 20.286 -7.706 -5.715 1.00 0.00 H new ATOM 0 HB2 PRO A 21 23.163 -7.829 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 21 21.993 -8.616 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 21 23.452 -6.053 -7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 21 22.835 -7.180 -8.659 1.00 0.00 H new ATOM 0 HD2 PRO A 21 21.604 -4.816 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.668 -6.248 -8.618 1.00 0.00 H new ATOM 308 N GLY A 22 20.652 -6.303 -3.567 1.00 0.00 N ATOM 309 CA GLY A 22 20.957 -5.965 -2.193 1.00 0.00 C ATOM 310 C GLY A 22 20.001 -4.932 -1.634 1.00 0.00 C ATOM 311 O GLY A 22 19.868 -4.795 -0.418 1.00 0.00 O ATOM 0 H GLY A 22 19.674 -6.179 -3.828 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.915 -6.866 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.977 -5.585 -2.132 1.00 0.00 H new ATOM 315 N ALA A 23 19.333 -4.197 -2.523 1.00 0.00 N ATOM 316 CA ALA A 23 18.390 -3.171 -2.100 1.00 0.00 C ATOM 317 C ALA A 23 17.281 -2.983 -3.115 1.00 0.00 C ATOM 318 O ALA A 23 17.486 -2.470 -4.214 1.00 0.00 O ATOM 319 CB ALA A 23 19.117 -1.863 -1.844 1.00 0.00 C ATOM 0 H ALA A 23 19.429 -4.295 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 23 17.927 -3.501 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.401 -1.104 -1.528 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.861 -2.008 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.612 -1.537 -2.759 1.00 0.00 H new ATOM 325 N PRO A 24 16.089 -3.434 -2.735 1.00 0.00 N ATOM 326 CA PRO A 24 14.894 -3.385 -3.546 1.00 0.00 C ATOM 327 C PRO A 24 13.951 -2.259 -3.156 1.00 0.00 C ATOM 328 O PRO A 24 12.901 -2.491 -2.561 1.00 0.00 O ATOM 329 CB PRO A 24 14.288 -4.742 -3.217 1.00 0.00 C ATOM 330 CG PRO A 24 14.650 -4.984 -1.778 1.00 0.00 C ATOM 331 CD PRO A 24 15.810 -4.084 -1.455 1.00 0.00 C ATOM 0 HA PRO A 24 15.090 -3.197 -4.602 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.207 -4.737 -3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.690 -5.522 -3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 24 13.803 -4.769 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.917 -6.029 -1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.555 -3.359 -0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.670 -4.648 -1.093 1.00 0.00 H new ATOM 339 N ILE A 25 14.345 -1.043 -3.494 1.00 0.00 N ATOM 340 CA ILE A 25 13.570 0.143 -3.201 1.00 0.00 C ATOM 341 C ILE A 25 12.072 -0.042 -3.415 1.00 0.00 C ATOM 342 O ILE A 25 11.604 -1.148 -3.677 1.00 0.00 O ATOM 343 CB ILE A 25 14.100 1.305 -4.036 1.00 0.00 C ATOM 344 CG1 ILE A 25 15.486 1.652 -3.540 1.00 0.00 C ATOM 345 CG2 ILE A 25 13.193 2.504 -3.898 1.00 0.00 C ATOM 346 CD1 ILE A 25 15.557 1.587 -2.036 1.00 0.00 C ATOM 0 H ILE A 25 15.220 -0.853 -3.983 1.00 0.00 H new ATOM 0 HA ILE A 25 13.689 0.357 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 25 14.134 1.020 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 25 16.213 0.964 -3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 25 15.756 2.653 -3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.583 3.326 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.192 2.245 -4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.149 2.808 -2.852 1.00 0.00 H new ATOM 0 HD11 ILE A 25 16.565 1.841 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.847 2.294 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.311 0.579 -1.703 1.00 0.00 H new ATOM 358 N LEU A 26 11.313 1.042 -3.219 1.00 0.00 N ATOM 359 CA LEU A 26 9.865 0.990 -3.297 1.00 0.00 C ATOM 360 C LEU A 26 9.227 2.272 -3.750 1.00 0.00 C ATOM 361 O LEU A 26 9.858 3.163 -4.316 1.00 0.00 O ATOM 362 CB LEU A 26 9.384 0.690 -1.907 1.00 0.00 C ATOM 363 CG LEU A 26 10.506 0.196 -1.041 1.00 0.00 C ATOM 364 CD1 LEU A 26 10.248 0.492 0.416 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.743 -1.284 -1.263 1.00 0.00 C ATOM 0 H LEU A 26 11.688 1.966 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 26 9.589 0.238 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.950 1.588 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.594 -0.060 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 26 11.411 0.732 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.079 0.121 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.151 1.568 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.327 0.000 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.560 -1.621 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.838 -1.839 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.002 -1.458 -2.307 1.00 0.00 H new ATOM 377 N GLN A 27 7.943 2.327 -3.467 1.00 0.00 N ATOM 378 CA GLN A 27 7.124 3.482 -3.804 1.00 0.00 C ATOM 379 C GLN A 27 5.639 3.138 -3.726 1.00 0.00 C ATOM 380 O GLN A 27 4.984 2.918 -4.745 1.00 0.00 O ATOM 381 CB GLN A 27 7.491 3.989 -5.197 1.00 0.00 C ATOM 382 CG GLN A 27 6.427 4.873 -5.825 1.00 0.00 C ATOM 383 CD GLN A 27 7.000 5.849 -6.833 1.00 0.00 C ATOM 384 OE1 GLN A 27 8.120 6.335 -6.678 1.00 0.00 O ATOM 385 NE2 GLN A 27 6.230 6.142 -7.875 1.00 0.00 N ATOM 0 H GLN A 27 7.435 1.577 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 27 7.320 4.273 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.425 4.547 -5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.672 3.134 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.682 4.246 -6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.911 5.427 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.308 5.716 -7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.561 6.793 -8.587 1.00 0.00 H new ATOM 394 N CYS A 28 5.126 3.088 -2.497 1.00 0.00 N ATOM 395 CA CYS A 28 3.723 2.764 -2.239 1.00 0.00 C ATOM 396 C CYS A 28 2.871 2.964 -3.486 1.00 0.00 C ATOM 397 O CYS A 28 2.717 4.087 -3.968 1.00 0.00 O ATOM 398 CB CYS A 28 3.163 3.619 -1.094 1.00 0.00 C ATOM 399 SG CYS A 28 2.099 2.696 0.069 1.00 0.00 S ATOM 0 H CYS A 28 5.670 3.271 -1.654 1.00 0.00 H new ATOM 0 HA CYS A 28 3.683 1.713 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.994 4.057 -0.541 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.591 4.445 -1.517 1.00 0.00 H new ATOM 404 N MET A 29 2.319 1.874 -4.011 1.00 0.00 N ATOM 405 CA MET A 29 1.485 1.950 -5.205 1.00 0.00 C ATOM 406 C MET A 29 0.489 0.795 -5.257 1.00 0.00 C ATOM 407 O MET A 29 0.868 -0.354 -5.479 1.00 0.00 O ATOM 408 CB MET A 29 2.358 1.949 -6.463 1.00 0.00 C ATOM 409 CG MET A 29 2.413 3.297 -7.163 1.00 0.00 C ATOM 410 SD MET A 29 2.836 3.157 -8.910 1.00 0.00 S ATOM 411 CE MET A 29 1.696 1.877 -9.433 1.00 0.00 C ATOM 0 H MET A 29 2.433 0.934 -3.631 1.00 0.00 H new ATOM 0 HA MET A 29 0.922 2.882 -5.162 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.370 1.647 -6.193 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.977 1.202 -7.159 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.447 3.792 -7.066 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.147 3.931 -6.665 1.00 0.00 H new ATOM 0 HE1 MET A 29 2.199 1.202 -10.126 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.355 1.316 -8.563 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.839 2.333 -9.929 1.00 0.00 H new ATOM 421 N GLY A 30 -0.787 1.111 -5.053 1.00 0.00 N ATOM 422 CA GLY A 30 -1.818 0.089 -5.084 1.00 0.00 C ATOM 423 C GLY A 30 -3.217 0.669 -5.010 1.00 0.00 C ATOM 424 O GLY A 30 -3.472 1.758 -5.525 1.00 0.00 O ATOM 0 H GLY A 30 -1.125 2.055 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.719 -0.494 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.669 -0.598 -4.251 1.00 0.00 H new ATOM 428 N CYS A 31 -4.126 -0.062 -4.371 1.00 0.00 N ATOM 429 CA CYS A 31 -5.509 0.384 -4.233 1.00 0.00 C ATOM 430 C CYS A 31 -6.115 -0.122 -2.929 1.00 0.00 C ATOM 431 O CYS A 31 -6.280 -1.327 -2.737 1.00 0.00 O ATOM 432 CB CYS A 31 -6.345 -0.104 -5.417 1.00 0.00 C ATOM 433 SG CYS A 31 -5.368 -0.525 -6.897 1.00 0.00 S ATOM 0 H CYS A 31 -3.930 -0.966 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.513 1.474 -4.218 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.914 -0.981 -5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.068 0.668 -5.680 1.00 0.00 H new ATOM 438 N CYS A 32 -6.449 0.804 -2.039 1.00 0.00 N ATOM 439 CA CYS A 32 -7.040 0.451 -0.755 1.00 0.00 C ATOM 440 C CYS A 32 -8.254 -0.450 -0.945 1.00 0.00 C ATOM 441 O CYS A 32 -9.204 -0.090 -1.639 1.00 0.00 O ATOM 442 CB CYS A 32 -7.443 1.715 0.005 1.00 0.00 C ATOM 443 SG CYS A 32 -6.997 1.695 1.772 1.00 0.00 S ATOM 0 H CYS A 32 -6.321 1.806 -2.183 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.294 -0.093 -0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.971 2.576 -0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.521 1.852 -0.085 1.00 0.00 H new ATOM 448 N PHE A 33 -8.217 -1.626 -0.325 1.00 0.00 N ATOM 449 CA PHE A 33 -9.316 -2.579 -0.429 1.00 0.00 C ATOM 450 C PHE A 33 -10.399 -2.278 0.600 1.00 0.00 C ATOM 451 O PHE A 33 -10.173 -1.539 1.559 1.00 0.00 O ATOM 452 CB PHE A 33 -8.802 -4.004 -0.232 1.00 0.00 C ATOM 453 CG PHE A 33 -8.226 -4.617 -1.477 1.00 0.00 C ATOM 454 CD1 PHE A 33 -8.164 -3.896 -2.659 1.00 0.00 C ATOM 455 CD2 PHE A 33 -7.747 -5.917 -1.463 1.00 0.00 C ATOM 456 CE1 PHE A 33 -7.635 -4.461 -3.804 1.00 0.00 C ATOM 457 CE2 PHE A 33 -7.218 -6.487 -2.604 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.161 -5.759 -3.776 1.00 0.00 C ATOM 0 H PHE A 33 -7.439 -1.941 0.254 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.748 -2.486 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.040 -4.001 0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.620 -4.630 0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.533 -2.881 -2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.788 -6.491 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.592 -3.889 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.849 -7.502 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.747 -6.203 -4.669 1.00 0.00 H new ATOM 468 N SER A 34 -11.574 -2.862 0.395 1.00 0.00 N ATOM 469 CA SER A 34 -12.696 -2.665 1.302 1.00 0.00 C ATOM 470 C SER A 34 -13.049 -3.965 2.016 1.00 0.00 C ATOM 471 O SER A 34 -12.193 -4.827 2.217 1.00 0.00 O ATOM 472 CB SER A 34 -13.911 -2.141 0.535 1.00 0.00 C ATOM 473 OG SER A 34 -13.515 -1.450 -0.637 1.00 0.00 O ATOM 0 H SER A 34 -11.774 -3.477 -0.394 1.00 0.00 H new ATOM 0 HA SER A 34 -12.404 -1.928 2.051 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.563 -2.973 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.490 -1.475 1.175 1.00 0.00 H new ATOM 0 HG SER A 34 -14.310 -1.126 -1.110 1.00 0.00 H new ATOM 479 N ARG A 35 -14.314 -4.102 2.397 1.00 0.00 N ATOM 480 CA ARG A 35 -14.775 -5.298 3.086 1.00 0.00 C ATOM 481 C ARG A 35 -15.921 -5.956 2.325 1.00 0.00 C ATOM 482 O ARG A 35 -16.848 -6.501 2.923 1.00 0.00 O ATOM 483 CB ARG A 35 -15.219 -4.951 4.509 1.00 0.00 C ATOM 484 CG ARG A 35 -16.418 -4.020 4.561 1.00 0.00 C ATOM 485 CD ARG A 35 -17.548 -4.618 5.384 1.00 0.00 C ATOM 486 NE ARG A 35 -18.844 -4.474 4.727 1.00 0.00 N ATOM 487 CZ ARG A 35 -19.576 -3.367 4.781 1.00 0.00 C ATOM 488 NH1 ARG A 35 -19.128 -2.306 5.439 1.00 0.00 N ATOM 489 NH2 ARG A 35 -20.755 -3.317 4.177 1.00 0.00 N ATOM 0 H ARG A 35 -15.037 -3.400 2.240 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.946 -6.004 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -15.461 -5.872 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.386 -4.487 5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.120 -3.063 4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.769 -3.820 3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.347 -5.675 5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.581 -4.133 6.360 1.00 0.00 H new ATOM 0 HE ARG A 35 -19.207 -5.267 4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.221 -2.340 5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.691 -1.456 5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -21.103 -4.130 3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -21.315 -2.465 4.220 1.00 0.00 H new ATOM 503 N ALA A 36 -15.848 -5.900 0.999 1.00 0.00 N ATOM 504 CA ALA A 36 -16.876 -6.490 0.152 1.00 0.00 C ATOM 505 C ALA A 36 -16.868 -8.011 0.259 1.00 0.00 C ATOM 506 O ALA A 36 -16.033 -8.589 0.956 1.00 0.00 O ATOM 507 CB ALA A 36 -16.680 -6.058 -1.293 1.00 0.00 C ATOM 0 H ALA A 36 -15.087 -5.452 0.489 1.00 0.00 H new ATOM 0 HA ALA A 36 -17.847 -6.133 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.455 -6.506 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.744 -4.972 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.701 -6.386 -1.641 1.00 0.00 H new ATOM 513 N TYR A 37 -17.802 -8.652 -0.434 1.00 0.00 N ATOM 514 CA TYR A 37 -17.905 -10.106 -0.418 1.00 0.00 C ATOM 515 C TYR A 37 -18.549 -10.618 -1.703 1.00 0.00 C ATOM 516 O TYR A 37 -19.320 -9.908 -2.349 1.00 0.00 O ATOM 517 CB TYR A 37 -18.730 -10.562 0.789 1.00 0.00 C ATOM 518 CG TYR A 37 -20.215 -10.612 0.513 1.00 0.00 C ATOM 519 CD1 TYR A 37 -20.936 -9.449 0.269 1.00 0.00 C ATOM 520 CD2 TYR A 37 -20.895 -11.823 0.483 1.00 0.00 C ATOM 521 CE1 TYR A 37 -22.292 -9.491 0.005 1.00 0.00 C ATOM 522 CE2 TYR A 37 -22.250 -11.873 0.221 1.00 0.00 C ATOM 523 CZ TYR A 37 -22.943 -10.705 -0.018 1.00 0.00 C ATOM 524 OH TYR A 37 -24.292 -10.752 -0.286 1.00 0.00 O ATOM 0 H TYR A 37 -18.500 -8.187 -1.015 1.00 0.00 H new ATOM 0 HA TYR A 37 -16.898 -10.518 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -18.392 -11.551 1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -18.545 -9.885 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -20.428 -8.496 0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -20.355 -12.740 0.668 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -22.838 -8.578 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -22.765 -12.822 0.203 1.00 0.00 H new ATOM 0 HH TYR A 37 -24.597 -11.683 -0.266 1.00 0.00 H new ATOM 534 N PRO A 38 -18.241 -11.866 -2.087 1.00 0.00 N ATOM 535 CA PRO A 38 -18.786 -12.484 -3.287 1.00 0.00 C ATOM 536 C PRO A 38 -20.198 -11.994 -3.593 1.00 0.00 C ATOM 537 O PRO A 38 -21.095 -12.095 -2.756 1.00 0.00 O ATOM 538 CB PRO A 38 -18.797 -13.969 -2.925 1.00 0.00 C ATOM 539 CG PRO A 38 -17.740 -14.149 -1.874 1.00 0.00 C ATOM 540 CD PRO A 38 -17.340 -12.779 -1.375 1.00 0.00 C ATOM 0 HA PRO A 38 -18.207 -12.250 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -19.775 -14.272 -2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -18.586 -14.585 -3.799 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -18.119 -14.758 -1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.877 -14.671 -2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.460 -12.697 -0.295 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -16.295 -12.563 -1.597 1.00 0.00 H new ATOM 548 N THR A 39 -20.389 -11.458 -4.795 1.00 0.00 N ATOM 549 CA THR A 39 -21.695 -10.949 -5.204 1.00 0.00 C ATOM 550 C THR A 39 -22.181 -11.627 -6.483 1.00 0.00 C ATOM 551 O THR A 39 -22.401 -10.972 -7.501 1.00 0.00 O ATOM 552 CB THR A 39 -21.630 -9.435 -5.411 1.00 0.00 C ATOM 553 OG1 THR A 39 -21.453 -8.767 -4.174 1.00 0.00 O ATOM 554 CG2 THR A 39 -22.869 -8.866 -6.066 1.00 0.00 C ATOM 0 H THR A 39 -19.659 -11.365 -5.501 1.00 0.00 H new ATOM 0 HA THR A 39 -22.405 -11.175 -4.409 1.00 0.00 H new ATOM 0 HB THR A 39 -20.781 -9.271 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 39 -20.747 -9.211 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.756 -7.788 -6.183 1.00 0.00 H new ATOM 0 HG22 THR A 39 -23.006 -9.325 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 39 -23.738 -9.074 -5.443 1.00 0.00 H new ATOM 562 N PRO A 40 -22.361 -12.956 -6.440 1.00 0.00 N ATOM 563 CA PRO A 40 -22.830 -13.730 -7.594 1.00 0.00 C ATOM 564 C PRO A 40 -24.311 -13.497 -7.878 1.00 0.00 C ATOM 565 O PRO A 40 -24.737 -13.472 -9.032 1.00 0.00 O ATOM 566 CB PRO A 40 -22.582 -15.177 -7.166 1.00 0.00 C ATOM 567 CG PRO A 40 -22.660 -15.148 -5.679 1.00 0.00 C ATOM 568 CD PRO A 40 -22.126 -13.806 -5.259 1.00 0.00 C ATOM 0 HA PRO A 40 -22.319 -13.452 -8.516 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -23.329 -15.849 -7.589 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -21.608 -15.529 -7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -23.687 -15.282 -5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -22.072 -15.955 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -22.646 -13.424 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -21.067 -13.857 -5.006 1.00 0.00 H new ATOM 576 N LEU A 41 -25.089 -13.324 -6.813 1.00 0.00 N ATOM 577 CA LEU A 41 -26.524 -13.086 -6.936 1.00 0.00 C ATOM 578 C LEU A 41 -27.115 -13.840 -8.122 1.00 0.00 C ATOM 579 O LEU A 41 -27.565 -14.978 -7.984 1.00 0.00 O ATOM 580 CB LEU A 41 -26.801 -11.589 -7.084 1.00 0.00 C ATOM 581 CG LEU A 41 -27.067 -10.850 -5.774 1.00 0.00 C ATOM 582 CD1 LEU A 41 -26.746 -9.371 -5.921 1.00 0.00 C ATOM 583 CD2 LEU A 41 -28.511 -11.045 -5.339 1.00 0.00 C ATOM 0 H LEU A 41 -24.748 -13.344 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 41 -27.000 -13.455 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -25.949 -11.124 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -27.662 -11.457 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 41 -26.417 -11.265 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -26.942 -8.861 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -25.696 -9.251 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -27.370 -8.939 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -28.684 -10.512 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -29.178 -10.655 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -28.707 -12.107 -5.193 1.00 0.00 H new ATOM 595 N ARG A 42 -27.118 -13.196 -9.284 1.00 0.00 N ATOM 596 CA ARG A 42 -27.659 -13.801 -10.494 1.00 0.00 C ATOM 597 C ARG A 42 -29.181 -13.897 -10.417 1.00 0.00 C ATOM 598 O ARG A 42 -29.784 -14.816 -10.970 1.00 0.00 O ATOM 599 CB ARG A 42 -27.056 -15.190 -10.712 1.00 0.00 C ATOM 600 CG ARG A 42 -25.823 -15.188 -11.602 1.00 0.00 C ATOM 601 CD ARG A 42 -25.780 -16.417 -12.494 1.00 0.00 C ATOM 602 NE ARG A 42 -26.589 -16.246 -13.696 1.00 0.00 N ATOM 603 CZ ARG A 42 -26.095 -15.886 -14.877 1.00 0.00 C ATOM 604 NH1 ARG A 42 -24.793 -15.671 -15.019 1.00 0.00 N ATOM 605 NH2 ARG A 42 -26.902 -15.740 -15.919 1.00 0.00 N ATOM 0 H ARG A 42 -26.751 -12.253 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 42 -27.394 -13.165 -11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -26.794 -15.619 -9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -27.812 -15.839 -11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -25.819 -14.289 -12.218 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -24.926 -15.154 -10.983 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -24.748 -16.624 -12.777 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -26.137 -17.283 -11.936 1.00 0.00 H new ATOM 0 HE ARG A 42 -27.593 -16.412 -13.626 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -24.168 -15.782 -14.221 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -24.418 -15.395 -15.926 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -27.903 -15.904 -15.815 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -26.521 -15.464 -16.824 1.00 0.00 H new ATOM 619 N SER A 43 -29.796 -12.940 -9.726 1.00 0.00 N ATOM 620 CA SER A 43 -31.247 -12.916 -9.577 1.00 0.00 C ATOM 621 C SER A 43 -31.793 -11.500 -9.742 1.00 0.00 C ATOM 622 O SER A 43 -32.077 -11.060 -10.856 1.00 0.00 O ATOM 623 CB SER A 43 -31.649 -13.473 -8.210 1.00 0.00 C ATOM 624 OG SER A 43 -30.793 -12.987 -7.190 1.00 0.00 O ATOM 0 H SER A 43 -29.312 -12.172 -9.261 1.00 0.00 H new ATOM 0 HA SER A 43 -31.675 -13.542 -10.359 1.00 0.00 H new ATOM 0 HB2 SER A 43 -32.679 -13.194 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 43 -31.612 -14.562 -8.232 1.00 0.00 H new ATOM 0 HG SER A 43 -31.072 -13.356 -6.326 1.00 0.00 H new ATOM 630 N LYS A 44 -31.943 -10.794 -8.625 1.00 0.00 N ATOM 631 CA LYS A 44 -32.459 -9.430 -8.642 1.00 0.00 C ATOM 632 C LYS A 44 -31.703 -8.555 -7.644 1.00 0.00 C ATOM 633 O LYS A 44 -31.670 -8.847 -6.448 1.00 0.00 O ATOM 634 CB LYS A 44 -33.958 -9.431 -8.321 1.00 0.00 C ATOM 635 CG LYS A 44 -34.440 -8.171 -7.619 1.00 0.00 C ATOM 636 CD LYS A 44 -35.853 -7.802 -8.049 1.00 0.00 C ATOM 637 CE LYS A 44 -35.957 -7.665 -9.560 1.00 0.00 C ATOM 638 NZ LYS A 44 -37.161 -6.890 -9.967 1.00 0.00 N ATOM 0 H LYS A 44 -31.714 -11.145 -7.695 1.00 0.00 H new ATOM 0 HA LYS A 44 -32.312 -9.016 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -34.518 -9.555 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -34.185 -10.293 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -34.414 -8.321 -6.540 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -33.763 -7.346 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -36.551 -8.564 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -36.145 -6.864 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -35.063 -7.173 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -35.993 -8.656 -10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -37.194 -6.820 -11.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -38.016 -7.372 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -37.114 -5.935 -9.557 1.00 0.00 H new ATOM 652 N LYS A 45 -31.096 -7.481 -8.142 1.00 0.00 N ATOM 653 CA LYS A 45 -30.341 -6.567 -7.289 1.00 0.00 C ATOM 654 C LYS A 45 -31.181 -6.131 -6.093 1.00 0.00 C ATOM 655 O LYS A 45 -32.314 -6.581 -5.924 1.00 0.00 O ATOM 656 CB LYS A 45 -29.884 -5.342 -8.087 1.00 0.00 C ATOM 657 CG LYS A 45 -29.234 -5.689 -9.418 1.00 0.00 C ATOM 658 CD LYS A 45 -27.719 -5.757 -9.304 1.00 0.00 C ATOM 659 CE LYS A 45 -27.140 -6.819 -10.226 1.00 0.00 C ATOM 660 NZ LYS A 45 -27.352 -6.486 -11.662 1.00 0.00 N ATOM 0 H LYS A 45 -31.112 -7.223 -9.129 1.00 0.00 H new ATOM 0 HA LYS A 45 -29.460 -7.093 -6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -30.743 -4.697 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -29.178 -4.770 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -29.616 -6.647 -9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -29.510 -4.943 -10.163 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -27.290 -4.786 -9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -27.440 -5.976 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -26.073 -6.925 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.601 -7.782 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.928 -7.227 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.372 -6.427 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -26.905 -5.572 -11.876 1.00 0.00 H new ATOM 674 N THR A 46 -30.618 -5.259 -5.262 1.00 0.00 N ATOM 675 CA THR A 46 -31.324 -4.776 -4.079 1.00 0.00 C ATOM 676 C THR A 46 -31.428 -3.253 -4.075 1.00 0.00 C ATOM 677 O THR A 46 -32.484 -2.699 -3.770 1.00 0.00 O ATOM 678 CB THR A 46 -30.614 -5.249 -2.810 1.00 0.00 C ATOM 679 OG1 THR A 46 -29.214 -5.328 -3.018 1.00 0.00 O ATOM 680 CG2 THR A 46 -31.086 -6.605 -2.330 1.00 0.00 C ATOM 0 H THR A 46 -29.681 -4.874 -5.384 1.00 0.00 H new ATOM 0 HA THR A 46 -32.334 -5.186 -4.104 1.00 0.00 H new ATOM 0 HB THR A 46 -30.858 -4.508 -2.049 1.00 0.00 H new ATOM 0 HG1 THR A 46 -28.777 -5.631 -2.194 1.00 0.00 H new ATOM 0 HG21 THR A 46 -30.542 -6.881 -1.427 1.00 0.00 H new ATOM 0 HG22 THR A 46 -32.153 -6.563 -2.112 1.00 0.00 H new ATOM 0 HG23 THR A 46 -30.903 -7.349 -3.105 1.00 0.00 H new ATOM 688 N MET A 47 -30.327 -2.581 -4.400 1.00 0.00 N ATOM 689 CA MET A 47 -30.303 -1.122 -4.418 1.00 0.00 C ATOM 690 C MET A 47 -31.190 -0.559 -3.314 1.00 0.00 C ATOM 691 O MET A 47 -32.246 0.014 -3.583 1.00 0.00 O ATOM 692 CB MET A 47 -30.763 -0.590 -5.778 1.00 0.00 C ATOM 693 CG MET A 47 -31.213 0.862 -5.744 1.00 0.00 C ATOM 694 SD MET A 47 -30.504 1.844 -7.080 1.00 0.00 S ATOM 695 CE MET A 47 -29.621 3.096 -6.151 1.00 0.00 C ATOM 0 H MET A 47 -29.443 -3.022 -4.654 1.00 0.00 H new ATOM 0 HA MET A 47 -29.276 -0.799 -4.245 1.00 0.00 H new ATOM 0 HB2 MET A 47 -29.947 -0.692 -6.493 1.00 0.00 H new ATOM 0 HB3 MET A 47 -31.584 -1.208 -6.141 1.00 0.00 H new ATOM 0 HG2 MET A 47 -32.300 0.902 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 47 -30.933 1.302 -4.787 1.00 0.00 H new ATOM 0 HE1 MET A 47 -30.151 4.046 -6.226 1.00 0.00 H new ATOM 0 HE2 MET A 47 -29.559 2.796 -5.105 1.00 0.00 H new ATOM 0 HE3 MET A 47 -28.616 3.209 -6.557 1.00 0.00 H new ATOM 705 N LEU A 48 -30.761 -0.733 -2.069 1.00 0.00 N ATOM 706 CA LEU A 48 -31.522 -0.247 -0.923 1.00 0.00 C ATOM 707 C LEU A 48 -30.882 1.006 -0.335 1.00 0.00 C ATOM 708 O LEU A 48 -29.978 1.592 -0.931 1.00 0.00 O ATOM 709 CB LEU A 48 -31.619 -1.338 0.149 1.00 0.00 C ATOM 710 CG LEU A 48 -32.976 -2.046 0.263 1.00 0.00 C ATOM 711 CD1 LEU A 48 -33.538 -1.888 1.668 1.00 0.00 C ATOM 712 CD2 LEU A 48 -33.962 -1.513 -0.768 1.00 0.00 C ATOM 0 H LEU A 48 -29.891 -1.207 -1.827 1.00 0.00 H new ATOM 0 HA LEU A 48 -32.525 0.008 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -30.855 -2.089 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -31.380 -0.893 1.115 1.00 0.00 H new ATOM 0 HG LEU A 48 -32.822 -3.106 0.063 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -34.501 -2.395 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -32.847 -2.326 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -33.670 -0.829 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -34.914 -2.033 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -34.112 -0.445 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -33.566 -1.679 -1.770 1.00 0.00 H new ATOM 724 N VAL A 49 -31.360 1.411 0.836 1.00 0.00 N ATOM 725 CA VAL A 49 -30.835 2.596 1.508 1.00 0.00 C ATOM 726 C VAL A 49 -29.613 2.247 2.348 1.00 0.00 C ATOM 727 O VAL A 49 -29.349 1.076 2.619 1.00 0.00 O ATOM 728 CB VAL A 49 -31.890 3.264 2.414 1.00 0.00 C ATOM 729 CG1 VAL A 49 -32.157 4.691 1.961 1.00 0.00 C ATOM 730 CG2 VAL A 49 -33.178 2.456 2.436 1.00 0.00 C ATOM 0 H VAL A 49 -32.110 0.937 1.340 1.00 0.00 H new ATOM 0 HA VAL A 49 -30.556 3.299 0.723 1.00 0.00 H new ATOM 0 HB VAL A 49 -31.495 3.294 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -32.904 5.146 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -31.233 5.267 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -32.526 4.684 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -33.905 2.948 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -33.580 2.384 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -32.973 1.455 2.817 1.00 0.00 H new ATOM 740 N GLN A 50 -28.869 3.268 2.756 1.00 0.00 N ATOM 741 CA GLN A 50 -27.673 3.063 3.564 1.00 0.00 C ATOM 742 C GLN A 50 -26.690 2.145 2.845 1.00 0.00 C ATOM 743 O GLN A 50 -25.841 1.512 3.474 1.00 0.00 O ATOM 744 CB GLN A 50 -28.042 2.471 4.926 1.00 0.00 C ATOM 745 CG GLN A 50 -27.955 3.469 6.070 1.00 0.00 C ATOM 746 CD GLN A 50 -26.688 4.299 6.022 1.00 0.00 C ATOM 747 OE1 GLN A 50 -26.714 5.507 6.254 1.00 0.00 O ATOM 748 NE2 GLN A 50 -25.569 3.651 5.718 1.00 0.00 N ATOM 0 H GLN A 50 -29.072 4.244 2.541 1.00 0.00 H new ATOM 0 HA GLN A 50 -27.197 4.031 3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -29.056 2.075 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -27.381 1.630 5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -28.820 4.131 6.037 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -27.999 2.934 7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -25.595 2.648 5.533 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -24.684 4.156 5.670 1.00 0.00 H new ATOM 757 N LYS A 51 -26.812 2.076 1.523 1.00 0.00 N ATOM 758 CA LYS A 51 -25.938 1.233 0.717 1.00 0.00 C ATOM 759 C LYS A 51 -25.852 1.749 -0.716 1.00 0.00 C ATOM 760 O LYS A 51 -26.464 1.189 -1.625 1.00 0.00 O ATOM 761 CB LYS A 51 -26.443 -0.211 0.723 1.00 0.00 C ATOM 762 CG LYS A 51 -26.335 -0.886 2.080 1.00 0.00 C ATOM 763 CD LYS A 51 -26.152 -2.389 1.945 1.00 0.00 C ATOM 764 CE LYS A 51 -25.859 -3.035 3.289 1.00 0.00 C ATOM 765 NZ LYS A 51 -27.099 -3.255 4.084 1.00 0.00 N ATOM 0 H LYS A 51 -27.508 2.594 0.988 1.00 0.00 H new ATOM 0 HA LYS A 51 -24.940 1.264 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -27.484 -0.225 0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -25.876 -0.789 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -25.494 -0.465 2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -27.233 -0.679 2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -27.052 -2.830 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -25.335 -2.597 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.356 -3.989 3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -25.174 -2.403 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.855 -3.697 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -27.567 -2.342 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -27.743 -3.879 3.557 1.00 0.00 H new ATOM 779 N ASN A 52 -25.090 2.820 -0.907 1.00 0.00 N ATOM 780 CA ASN A 52 -24.921 3.414 -2.228 1.00 0.00 C ATOM 781 C ASN A 52 -23.695 4.319 -2.260 1.00 0.00 C ATOM 782 O ASN A 52 -23.620 5.255 -3.056 1.00 0.00 O ATOM 783 CB ASN A 52 -26.171 4.210 -2.613 1.00 0.00 C ATOM 784 CG ASN A 52 -26.486 4.117 -4.093 1.00 0.00 C ATOM 785 OD1 ASN A 52 -27.098 3.011 -4.499 1.00 0.00 O flip ATOM 786 ND2 ASN A 52 -26.182 5.028 -4.863 1.00 0.00 N flip ATOM 0 H ASN A 52 -24.579 3.295 -0.163 1.00 0.00 H new ATOM 0 HA ASN A 52 -24.775 2.610 -2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -27.022 3.843 -2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -26.030 5.256 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -25.712 5.861 -4.508 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -26.400 4.950 -5.856 1.00 0.00 H new ATOM 793 N VAL A 53 -22.735 4.033 -1.385 1.00 0.00 N ATOM 794 CA VAL A 53 -21.510 4.818 -1.306 1.00 0.00 C ATOM 795 C VAL A 53 -20.275 3.937 -1.483 1.00 0.00 C ATOM 796 O VAL A 53 -20.318 2.733 -1.226 1.00 0.00 O ATOM 797 CB VAL A 53 -21.410 5.559 0.041 1.00 0.00 C ATOM 798 CG1 VAL A 53 -21.923 6.984 -0.092 1.00 0.00 C ATOM 799 CG2 VAL A 53 -22.180 4.809 1.117 1.00 0.00 C ATOM 0 H VAL A 53 -22.783 3.261 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 53 -21.548 5.547 -2.115 1.00 0.00 H new ATOM 0 HB VAL A 53 -20.361 5.602 0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -21.844 7.490 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -21.328 7.517 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -22.966 6.967 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -22.100 5.345 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -23.229 4.736 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -21.764 3.808 1.231 1.00 0.00 H new ATOM 809 N THR A 54 -19.178 4.544 -1.925 1.00 0.00 N ATOM 810 CA THR A 54 -17.932 3.816 -2.137 1.00 0.00 C ATOM 811 C THR A 54 -16.901 4.182 -1.075 1.00 0.00 C ATOM 812 O THR A 54 -17.181 4.965 -0.168 1.00 0.00 O ATOM 813 CB THR A 54 -17.375 4.115 -3.531 1.00 0.00 C ATOM 814 OG1 THR A 54 -17.912 5.324 -4.037 1.00 0.00 O ATOM 815 CG2 THR A 54 -17.670 3.025 -4.539 1.00 0.00 C ATOM 0 H THR A 54 -19.127 5.539 -2.143 1.00 0.00 H new ATOM 0 HA THR A 54 -18.144 2.750 -2.058 1.00 0.00 H new ATOM 0 HB THR A 54 -16.295 4.186 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 54 -17.543 5.498 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 54 -17.248 3.299 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.226 2.088 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 54 -18.749 2.901 -4.636 1.00 0.00 H new ATOM 823 N SER A 55 -15.708 3.609 -1.192 1.00 0.00 N ATOM 824 CA SER A 55 -14.637 3.874 -0.239 1.00 0.00 C ATOM 825 C SER A 55 -13.415 4.451 -0.943 1.00 0.00 C ATOM 826 O SER A 55 -12.514 3.716 -1.345 1.00 0.00 O ATOM 827 CB SER A 55 -14.254 2.590 0.499 1.00 0.00 C ATOM 828 OG SER A 55 -15.405 1.918 0.981 1.00 0.00 O ATOM 0 H SER A 55 -15.459 2.958 -1.937 1.00 0.00 H new ATOM 0 HA SER A 55 -14.999 4.606 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.699 1.933 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.592 2.829 1.332 1.00 0.00 H new ATOM 0 HG SER A 55 -15.135 1.100 1.447 1.00 0.00 H new ATOM 834 N GLU A 56 -13.389 5.772 -1.091 1.00 0.00 N ATOM 835 CA GLU A 56 -12.275 6.442 -1.748 1.00 0.00 C ATOM 836 C GLU A 56 -11.620 7.462 -0.823 1.00 0.00 C ATOM 837 O GLU A 56 -12.007 7.604 0.337 1.00 0.00 O ATOM 838 CB GLU A 56 -12.742 7.127 -3.032 1.00 0.00 C ATOM 839 CG GLU A 56 -11.656 7.223 -4.090 1.00 0.00 C ATOM 840 CD GLU A 56 -11.383 8.650 -4.520 1.00 0.00 C ATOM 841 OE1 GLU A 56 -10.524 9.305 -3.892 1.00 0.00 O ATOM 842 OE2 GLU A 56 -12.030 9.114 -5.483 1.00 0.00 O ATOM 0 H GLU A 56 -14.126 6.398 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.535 5.683 -1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.590 6.578 -3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.096 8.130 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.737 6.783 -3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.949 6.635 -4.960 1.00 0.00 H new ATOM 849 N SER A 57 -10.619 8.162 -1.344 1.00 0.00 N ATOM 850 CA SER A 57 -9.897 9.164 -0.569 1.00 0.00 C ATOM 851 C SER A 57 -8.867 8.499 0.338 1.00 0.00 C ATOM 852 O SER A 57 -8.131 9.173 1.059 1.00 0.00 O ATOM 853 CB SER A 57 -10.867 10.002 0.265 1.00 0.00 C ATOM 854 OG SER A 57 -10.448 11.355 0.326 1.00 0.00 O ATOM 0 H SER A 57 -10.288 8.054 -2.303 1.00 0.00 H new ATOM 0 HA SER A 57 -9.377 9.822 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.866 9.946 -0.168 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.933 9.592 1.273 1.00 0.00 H new ATOM 0 HG SER A 57 -11.085 11.871 0.863 1.00 0.00 H new ATOM 860 N THR A 58 -8.818 7.172 0.291 1.00 0.00 N ATOM 861 CA THR A 58 -7.876 6.411 1.102 1.00 0.00 C ATOM 862 C THR A 58 -6.444 6.668 0.646 1.00 0.00 C ATOM 863 O THR A 58 -6.174 6.773 -0.550 1.00 0.00 O ATOM 864 CB THR A 58 -8.191 4.917 1.021 1.00 0.00 C ATOM 865 OG1 THR A 58 -8.857 4.610 -0.191 1.00 0.00 O ATOM 866 CG2 THR A 58 -9.059 4.423 2.160 1.00 0.00 C ATOM 0 H THR A 58 -9.421 6.601 -0.301 1.00 0.00 H new ATOM 0 HA THR A 58 -7.975 6.737 2.137 1.00 0.00 H new ATOM 0 HB THR A 58 -7.225 4.416 1.080 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.451 3.843 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.244 3.355 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.550 4.599 3.108 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.008 4.958 2.153 1.00 0.00 H new ATOM 874 N CYS A 59 -5.530 6.768 1.604 1.00 0.00 N ATOM 875 CA CYS A 59 -4.127 7.016 1.295 1.00 0.00 C ATOM 876 C CYS A 59 -3.213 6.300 2.278 1.00 0.00 C ATOM 877 O CYS A 59 -3.463 6.296 3.484 1.00 0.00 O ATOM 878 CB CYS A 59 -3.839 8.518 1.312 1.00 0.00 C ATOM 879 SG CYS A 59 -5.291 9.558 0.953 1.00 0.00 S ATOM 0 H CYS A 59 -5.735 6.681 2.599 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.928 6.624 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.444 8.790 2.291 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.060 8.736 0.582 1.00 0.00 H new ATOM 884 N CYS A 60 -2.154 5.691 1.754 1.00 0.00 N ATOM 885 CA CYS A 60 -1.202 4.966 2.584 1.00 0.00 C ATOM 886 C CYS A 60 0.199 5.555 2.467 1.00 0.00 C ATOM 887 O CYS A 60 1.158 4.848 2.157 1.00 0.00 O ATOM 888 CB CYS A 60 -1.181 3.484 2.201 1.00 0.00 C ATOM 889 SG CYS A 60 -2.295 3.048 0.825 1.00 0.00 S ATOM 0 H CYS A 60 -1.935 5.686 0.758 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.525 5.063 3.621 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.163 3.205 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.453 2.891 3.075 1.00 0.00 H new ATOM 894 N VAL A 61 0.312 6.853 2.727 1.00 0.00 N ATOM 895 CA VAL A 61 1.600 7.531 2.659 1.00 0.00 C ATOM 896 C VAL A 61 2.613 6.853 3.572 1.00 0.00 C ATOM 897 O VAL A 61 2.801 7.264 4.717 1.00 0.00 O ATOM 898 CB VAL A 61 1.480 9.015 3.055 1.00 0.00 C ATOM 899 CG1 VAL A 61 2.734 9.777 2.653 1.00 0.00 C ATOM 900 CG2 VAL A 61 0.242 9.636 2.424 1.00 0.00 C ATOM 0 H VAL A 61 -0.470 7.454 2.986 1.00 0.00 H new ATOM 0 HA VAL A 61 1.940 7.471 1.625 1.00 0.00 H new ATOM 0 HB VAL A 61 1.377 9.078 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.632 10.823 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.599 9.345 3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.871 9.709 1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.173 10.684 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.312 9.564 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.646 9.105 2.767 1.00 0.00 H new ATOM 910 N ALA A 62 3.256 5.810 3.052 1.00 0.00 N ATOM 911 CA ALA A 62 4.255 5.047 3.799 1.00 0.00 C ATOM 912 C ALA A 62 4.331 5.460 5.268 1.00 0.00 C ATOM 913 O ALA A 62 4.800 6.550 5.597 1.00 0.00 O ATOM 914 CB ALA A 62 5.621 5.188 3.146 1.00 0.00 C ATOM 0 H ALA A 62 3.100 5.470 2.103 1.00 0.00 H new ATOM 0 HA ALA A 62 3.942 4.003 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.356 4.615 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.576 4.812 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.912 6.238 3.133 1.00 0.00 H new ATOM 920 N LYS A 63 3.895 4.563 6.146 1.00 0.00 N ATOM 921 CA LYS A 63 3.934 4.796 7.580 1.00 0.00 C ATOM 922 C LYS A 63 5.352 5.137 7.996 1.00 0.00 C ATOM 923 O LYS A 63 5.589 6.003 8.837 1.00 0.00 O ATOM 924 CB LYS A 63 3.480 3.537 8.313 1.00 0.00 C ATOM 925 CG LYS A 63 3.395 3.705 9.819 1.00 0.00 C ATOM 926 CD LYS A 63 2.150 4.473 10.222 1.00 0.00 C ATOM 927 CE LYS A 63 1.560 3.935 11.513 1.00 0.00 C ATOM 928 NZ LYS A 63 2.030 4.700 12.700 1.00 0.00 N ATOM 0 H LYS A 63 3.506 3.658 5.882 1.00 0.00 H new ATOM 0 HA LYS A 63 3.270 5.623 7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.502 3.239 7.934 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.171 2.725 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.390 2.725 10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.280 4.230 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.395 5.528 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.408 4.409 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.472 3.979 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.832 2.886 11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.604 4.301 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.066 4.638 12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.749 5.697 12.604 1.00 0.00 H new ATOM 942 N SER A 64 6.286 4.436 7.376 1.00 0.00 N ATOM 943 CA SER A 64 7.704 4.627 7.634 1.00 0.00 C ATOM 944 C SER A 64 8.487 4.367 6.359 1.00 0.00 C ATOM 945 O SER A 64 8.241 3.385 5.662 1.00 0.00 O ATOM 946 CB SER A 64 8.180 3.698 8.754 1.00 0.00 C ATOM 947 OG SER A 64 8.161 4.358 10.009 1.00 0.00 O ATOM 0 H SER A 64 6.083 3.719 6.680 1.00 0.00 H new ATOM 0 HA SER A 64 7.872 5.655 7.957 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.542 2.815 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.190 3.351 8.538 1.00 0.00 H new ATOM 0 HG SER A 64 8.468 3.742 10.707 1.00 0.00 H new ATOM 953 N TYR A 65 9.409 5.263 6.040 1.00 0.00 N ATOM 954 CA TYR A 65 10.198 5.135 4.825 1.00 0.00 C ATOM 955 C TYR A 65 11.663 4.938 5.107 1.00 0.00 C ATOM 956 O TYR A 65 12.145 5.149 6.220 1.00 0.00 O ATOM 957 CB TYR A 65 10.076 6.394 3.979 1.00 0.00 C ATOM 958 CG TYR A 65 10.249 7.667 4.764 1.00 0.00 C ATOM 959 CD1 TYR A 65 11.441 7.941 5.423 1.00 0.00 C ATOM 960 CD2 TYR A 65 9.222 8.591 4.850 1.00 0.00 C ATOM 961 CE1 TYR A 65 11.601 9.106 6.149 1.00 0.00 C ATOM 962 CE2 TYR A 65 9.371 9.760 5.571 1.00 0.00 C ATOM 963 CZ TYR A 65 10.563 10.013 6.220 1.00 0.00 C ATOM 964 OH TYR A 65 10.718 11.174 6.941 1.00 0.00 O ATOM 0 H TYR A 65 9.628 6.084 6.604 1.00 0.00 H new ATOM 0 HA TYR A 65 9.807 4.261 4.305 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.823 6.362 3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.098 6.404 3.497 1.00 0.00 H new ATOM 0 HD1 TYR A 65 12.255 7.233 5.367 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.288 8.395 4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.533 9.306 6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.560 10.471 5.627 1.00 0.00 H new ATOM 0 HH TYR A 65 9.895 11.704 6.889 1.00 0.00 H new ATOM 974 N ASN A 66 12.370 4.603 4.047 1.00 0.00 N ATOM 975 CA ASN A 66 13.809 4.453 4.109 1.00 0.00 C ATOM 976 C ASN A 66 14.386 5.226 2.952 1.00 0.00 C ATOM 977 O ASN A 66 15.455 4.928 2.422 1.00 0.00 O ATOM 978 CB ASN A 66 14.227 2.992 4.062 1.00 0.00 C ATOM 979 CG ASN A 66 14.846 2.521 5.364 1.00 0.00 C ATOM 980 OD1 ASN A 66 14.143 2.221 6.328 1.00 0.00 O ATOM 981 ND2 ASN A 66 16.173 2.455 5.398 1.00 0.00 N ATOM 0 H ASN A 66 11.968 4.428 3.126 1.00 0.00 H new ATOM 0 HA ASN A 66 14.186 4.840 5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 66 13.357 2.376 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.941 2.848 3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.647 2.146 6.247 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.718 2.713 4.575 1.00 0.00 H new ATOM 988 N ARG A 67 13.611 6.231 2.589 1.00 0.00 N ATOM 989 CA ARG A 67 13.919 7.140 1.497 1.00 0.00 C ATOM 990 C ARG A 67 15.283 6.861 0.920 1.00 0.00 C ATOM 991 O ARG A 67 16.307 7.361 1.382 1.00 0.00 O ATOM 992 CB ARG A 67 13.824 8.567 1.979 1.00 0.00 C ATOM 993 CG ARG A 67 14.360 8.723 3.377 1.00 0.00 C ATOM 994 CD ARG A 67 15.010 10.081 3.589 1.00 0.00 C ATOM 995 NE ARG A 67 14.872 10.543 4.968 1.00 0.00 N ATOM 996 CZ ARG A 67 14.684 11.814 5.306 1.00 0.00 C ATOM 997 NH1 ARG A 67 14.631 12.753 4.371 1.00 0.00 N ATOM 998 NH2 ARG A 67 14.551 12.148 6.582 1.00 0.00 N ATOM 0 H ARG A 67 12.729 6.444 3.055 1.00 0.00 H new ATOM 0 HA ARG A 67 13.190 6.984 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 67 14.379 9.217 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.784 8.892 1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.548 8.594 4.093 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.089 7.937 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.067 10.022 3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.558 10.809 2.916 1.00 0.00 H new ATOM 0 HE ARG A 67 14.923 9.850 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 67 14.735 12.501 3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.486 13.728 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.593 11.429 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.407 13.124 6.841 1.00 0.00 H new ATOM 1012 N VAL A 68 15.255 6.037 -0.090 1.00 0.00 N ATOM 1013 CA VAL A 68 16.444 5.613 -0.791 1.00 0.00 C ATOM 1014 C VAL A 68 16.704 6.490 -2.010 1.00 0.00 C ATOM 1015 O VAL A 68 16.528 6.052 -3.146 1.00 0.00 O ATOM 1016 CB VAL A 68 16.288 4.149 -1.232 1.00 0.00 C ATOM 1017 CG1 VAL A 68 17.330 3.780 -2.273 1.00 0.00 C ATOM 1018 CG2 VAL A 68 16.353 3.223 -0.022 1.00 0.00 C ATOM 0 H VAL A 68 14.394 5.632 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 68 17.293 5.707 -0.114 1.00 0.00 H new ATOM 0 HB VAL A 68 15.310 4.028 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.197 2.739 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.215 4.422 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.327 3.914 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 68 16.241 2.189 -0.349 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.314 3.344 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.550 3.473 0.671 1.00 0.00 H new ATOM 1028 N THR A 69 17.123 7.731 -1.771 1.00 0.00 N ATOM 1029 CA THR A 69 17.402 8.653 -2.854 1.00 0.00 C ATOM 1030 C THR A 69 18.386 8.040 -3.831 1.00 0.00 C ATOM 1031 O THR A 69 19.526 7.734 -3.480 1.00 0.00 O ATOM 1032 CB THR A 69 17.958 9.974 -2.336 1.00 0.00 C ATOM 1033 OG1 THR A 69 17.024 10.619 -1.488 1.00 0.00 O ATOM 1034 CG2 THR A 69 18.307 10.928 -3.458 1.00 0.00 C ATOM 0 H THR A 69 17.274 8.114 -0.838 1.00 0.00 H new ATOM 0 HA THR A 69 16.459 8.852 -3.362 1.00 0.00 H new ATOM 0 HB THR A 69 18.864 9.724 -1.785 1.00 0.00 H new ATOM 0 HG1 THR A 69 17.403 11.464 -1.166 1.00 0.00 H new ATOM 0 HG21 THR A 69 18.699 11.855 -3.039 1.00 0.00 H new ATOM 0 HG22 THR A 69 19.061 10.473 -4.101 1.00 0.00 H new ATOM 0 HG23 THR A 69 17.413 11.144 -4.043 1.00 0.00 H new ATOM 1042 N VAL A 70 17.933 7.865 -5.054 1.00 0.00 N ATOM 1043 CA VAL A 70 18.765 7.285 -6.098 1.00 0.00 C ATOM 1044 C VAL A 70 18.789 8.145 -7.341 1.00 0.00 C ATOM 1045 O VAL A 70 18.371 9.303 -7.333 1.00 0.00 O ATOM 1046 CB VAL A 70 18.287 5.881 -6.502 1.00 0.00 C ATOM 1047 CG1 VAL A 70 19.473 4.975 -6.791 1.00 0.00 C ATOM 1048 CG2 VAL A 70 17.403 5.282 -5.421 1.00 0.00 C ATOM 0 H VAL A 70 16.991 8.115 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 70 19.767 7.223 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 70 17.695 5.970 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 19.114 3.986 -7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 70 20.062 5.395 -7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 70 20.094 4.893 -5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.076 4.288 -5.728 1.00 0.00 H new ATOM 0 HG22 VAL A 70 17.966 5.208 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.532 5.920 -5.268 1.00 0.00 H new ATOM 1058 N MET A 71 19.290 7.553 -8.411 1.00 0.00 N ATOM 1059 CA MET A 71 19.394 8.229 -9.687 1.00 0.00 C ATOM 1060 C MET A 71 19.730 9.700 -9.486 1.00 0.00 C ATOM 1061 O MET A 71 20.592 10.044 -8.677 1.00 0.00 O ATOM 1062 CB MET A 71 18.094 8.089 -10.478 1.00 0.00 C ATOM 1063 CG MET A 71 17.273 6.879 -10.083 1.00 0.00 C ATOM 1064 SD MET A 71 18.055 5.324 -10.553 1.00 0.00 S ATOM 1065 CE MET A 71 18.739 5.761 -12.150 1.00 0.00 C ATOM 0 H MET A 71 19.635 6.593 -8.417 1.00 0.00 H new ATOM 0 HA MET A 71 20.198 7.762 -10.255 1.00 0.00 H new ATOM 0 HB2 MET A 71 17.493 8.988 -10.336 1.00 0.00 H new ATOM 0 HB3 MET A 71 18.329 8.027 -11.540 1.00 0.00 H new ATOM 0 HG2 MET A 71 17.114 6.889 -9.005 1.00 0.00 H new ATOM 0 HG3 MET A 71 16.291 6.943 -10.551 1.00 0.00 H new ATOM 0 HE1 MET A 71 18.936 4.854 -12.722 1.00 0.00 H new ATOM 0 HE2 MET A 71 18.028 6.385 -12.692 1.00 0.00 H new ATOM 0 HE3 MET A 71 19.670 6.310 -12.009 1.00 0.00 H new ATOM 1075 N GLY A 72 19.040 10.565 -10.218 1.00 0.00 N ATOM 1076 CA GLY A 72 19.274 11.986 -10.095 1.00 0.00 C ATOM 1077 C GLY A 72 18.535 12.593 -8.916 1.00 0.00 C ATOM 1078 O GLY A 72 18.151 13.762 -8.953 1.00 0.00 O ATOM 0 H GLY A 72 18.322 10.305 -10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.343 12.167 -9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 72 18.961 12.484 -11.013 1.00 0.00 H new ATOM 1082 N GLY A 73 18.336 11.797 -7.870 1.00 0.00 N ATOM 1083 CA GLY A 73 17.639 12.278 -6.693 1.00 0.00 C ATOM 1084 C GLY A 73 16.235 11.717 -6.579 1.00 0.00 C ATOM 1085 O GLY A 73 15.269 12.468 -6.452 1.00 0.00 O ATOM 0 H GLY A 73 18.646 10.827 -7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 73 18.208 12.009 -5.803 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.590 13.366 -6.723 1.00 0.00 H new ATOM 1089 N PHE A 74 16.121 10.393 -6.624 1.00 0.00 N ATOM 1090 CA PHE A 74 14.821 9.738 -6.522 1.00 0.00 C ATOM 1091 C PHE A 74 14.587 9.205 -5.118 1.00 0.00 C ATOM 1092 O PHE A 74 15.261 8.275 -4.678 1.00 0.00 O ATOM 1093 CB PHE A 74 14.715 8.590 -7.522 1.00 0.00 C ATOM 1094 CG PHE A 74 14.626 9.036 -8.949 1.00 0.00 C ATOM 1095 CD1 PHE A 74 15.607 9.842 -9.499 1.00 0.00 C ATOM 1096 CD2 PHE A 74 13.561 8.644 -9.741 1.00 0.00 C ATOM 1097 CE1 PHE A 74 15.528 10.250 -10.816 1.00 0.00 C ATOM 1098 CE2 PHE A 74 13.475 9.049 -11.059 1.00 0.00 C ATOM 1099 CZ PHE A 74 14.461 9.853 -11.598 1.00 0.00 C ATOM 0 H PHE A 74 16.910 9.755 -6.730 1.00 0.00 H new ATOM 0 HA PHE A 74 14.059 10.484 -6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 74 15.583 7.940 -7.408 1.00 0.00 H new ATOM 0 HB3 PHE A 74 13.835 7.992 -7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.443 10.155 -8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.789 8.015 -9.324 1.00 0.00 H new ATOM 0 HE1 PHE A 74 16.300 10.879 -11.234 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.638 8.738 -11.667 1.00 0.00 H new ATOM 0 HZ PHE A 74 14.398 10.170 -12.628 1.00 0.00 H new ATOM 1109 N LYS A 75 13.625 9.794 -4.423 1.00 0.00 N ATOM 1110 CA LYS A 75 13.301 9.376 -3.066 1.00 0.00 C ATOM 1111 C LYS A 75 12.077 8.470 -3.040 1.00 0.00 C ATOM 1112 O LYS A 75 10.949 8.914 -3.249 1.00 0.00 O ATOM 1113 CB LYS A 75 13.056 10.595 -2.181 1.00 0.00 C ATOM 1114 CG LYS A 75 14.281 11.478 -2.011 1.00 0.00 C ATOM 1115 CD LYS A 75 13.895 12.907 -1.662 1.00 0.00 C ATOM 1116 CE LYS A 75 12.603 12.963 -0.861 1.00 0.00 C ATOM 1117 NZ LYS A 75 12.216 14.362 -0.529 1.00 0.00 N ATOM 0 H LYS A 75 13.055 10.563 -4.776 1.00 0.00 H new ATOM 0 HA LYS A 75 14.152 8.813 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.247 11.188 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.721 10.260 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.918 11.070 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.865 11.472 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.698 13.371 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.780 13.487 -2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.802 12.490 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.721 12.391 0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.331 14.357 0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.968 14.806 0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.078 14.902 -1.407 1.00 0.00 H new ATOM 1131 N VAL A 76 12.319 7.199 -2.763 1.00 0.00 N ATOM 1132 CA VAL A 76 11.262 6.200 -2.680 1.00 0.00 C ATOM 1133 C VAL A 76 10.831 6.044 -1.266 1.00 0.00 C ATOM 1134 O VAL A 76 10.253 5.024 -0.889 1.00 0.00 O ATOM 1135 CB VAL A 76 11.790 4.834 -3.146 1.00 0.00 C ATOM 1136 CG1 VAL A 76 12.040 4.861 -4.643 1.00 0.00 C ATOM 1137 CG2 VAL A 76 13.080 4.573 -2.377 1.00 0.00 C ATOM 0 H VAL A 76 13.254 6.829 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 76 10.434 6.527 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 76 11.069 4.040 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.414 3.890 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.108 5.083 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.777 5.630 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.493 3.610 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.800 5.361 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.870 4.561 -1.307 1.00 0.00 H new ATOM 1147 N GLU A 77 11.174 7.033 -0.471 1.00 0.00 N ATOM 1148 CA GLU A 77 10.886 6.960 0.949 1.00 0.00 C ATOM 1149 C GLU A 77 10.923 5.487 1.278 1.00 0.00 C ATOM 1150 O GLU A 77 10.076 4.964 1.993 1.00 0.00 O ATOM 1151 CB GLU A 77 9.518 7.563 1.273 1.00 0.00 C ATOM 1152 CG GLU A 77 8.738 7.998 0.045 1.00 0.00 C ATOM 1153 CD GLU A 77 9.257 9.296 -0.543 1.00 0.00 C ATOM 1154 OE1 GLU A 77 9.692 10.168 0.238 1.00 0.00 O ATOM 1155 OE2 GLU A 77 9.233 9.438 -1.783 1.00 0.00 O ATOM 0 H GLU A 77 11.645 7.885 -0.774 1.00 0.00 H new ATOM 0 HA GLU A 77 11.605 7.529 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.930 6.831 1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.656 8.423 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.790 7.214 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.687 8.117 0.309 1.00 0.00 H new ATOM 1162 N ASN A 78 11.895 4.826 0.640 1.00 0.00 N ATOM 1163 CA ASN A 78 12.050 3.389 0.722 1.00 0.00 C ATOM 1164 C ASN A 78 11.096 2.862 1.761 1.00 0.00 C ATOM 1165 O ASN A 78 11.474 2.480 2.867 1.00 0.00 O ATOM 1166 CB ASN A 78 13.472 2.949 1.003 1.00 0.00 C ATOM 1167 CG ASN A 78 13.564 1.465 0.761 1.00 0.00 C ATOM 1168 OD1 ASN A 78 13.361 0.998 -0.357 1.00 0.00 O ATOM 1169 ND2 ASN A 78 13.866 0.716 1.798 1.00 0.00 N ATOM 0 H ASN A 78 12.593 5.284 0.053 1.00 0.00 H new ATOM 0 HA ASN A 78 11.814 2.969 -0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.169 3.483 0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.746 3.184 2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.027 1.147 2.709 1.00 0.00 H new ATOM 1174 N HIS A 79 9.839 2.934 1.386 1.00 0.00 N ATOM 1175 CA HIS A 79 8.740 2.565 2.243 1.00 0.00 C ATOM 1176 C HIS A 79 8.986 1.325 3.067 1.00 0.00 C ATOM 1177 O HIS A 79 9.158 0.219 2.560 1.00 0.00 O ATOM 1178 CB HIS A 79 7.472 2.426 1.427 1.00 0.00 C ATOM 1179 CG HIS A 79 7.117 3.706 0.778 1.00 0.00 C ATOM 1180 ND1 HIS A 79 6.039 3.892 -0.042 1.00 0.00 N ATOM 1181 CD2 HIS A 79 7.769 4.883 0.830 1.00 0.00 C ATOM 1182 CE1 HIS A 79 6.068 5.162 -0.470 1.00 0.00 C ATOM 1183 NE2 HIS A 79 7.102 5.812 0.035 1.00 0.00 N ATOM 0 H HIS A 79 9.549 3.256 0.462 1.00 0.00 H new ATOM 0 HA HIS A 79 8.632 3.374 2.965 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.606 1.655 0.669 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.655 2.102 2.071 1.00 0.00 H new ATOM 0 HD1 HIS A 79 5.339 3.191 -0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.667 5.076 1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.341 5.597 -1.140 1.00 0.00 H new ATOM 1191 N THR A 80 8.963 1.543 4.356 1.00 0.00 N ATOM 1192 CA THR A 80 9.146 0.479 5.325 1.00 0.00 C ATOM 1193 C THR A 80 7.800 0.094 5.934 1.00 0.00 C ATOM 1194 O THR A 80 7.689 -0.890 6.667 1.00 0.00 O ATOM 1195 CB THR A 80 10.131 0.936 6.394 1.00 0.00 C ATOM 1196 OG1 THR A 80 9.472 1.680 7.403 1.00 0.00 O ATOM 1197 CG2 THR A 80 11.233 1.802 5.820 1.00 0.00 C ATOM 0 H THR A 80 8.817 2.463 4.771 1.00 0.00 H new ATOM 0 HA THR A 80 9.555 -0.405 4.836 1.00 0.00 H new ATOM 0 HB THR A 80 10.568 0.029 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.718 1.326 8.283 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.911 2.104 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.785 1.238 5.069 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.797 2.688 5.360 1.00 0.00 H new ATOM 1205 N ALA A 81 6.775 0.882 5.605 1.00 0.00 N ATOM 1206 CA ALA A 81 5.424 0.647 6.083 1.00 0.00 C ATOM 1207 C ALA A 81 4.470 1.633 5.420 1.00 0.00 C ATOM 1208 O ALA A 81 4.813 2.799 5.236 1.00 0.00 O ATOM 1209 CB ALA A 81 5.364 0.781 7.598 1.00 0.00 C ATOM 0 H ALA A 81 6.864 1.698 5.000 1.00 0.00 H new ATOM 0 HA ALA A 81 5.124 -0.368 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.344 0.602 7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.033 0.051 8.055 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.672 1.786 7.887 1.00 0.00 H new ATOM 1215 N CYS A 82 3.282 1.168 5.056 1.00 0.00 N ATOM 1216 CA CYS A 82 2.295 2.031 4.415 1.00 0.00 C ATOM 1217 C CYS A 82 0.956 1.930 5.138 1.00 0.00 C ATOM 1218 O CYS A 82 0.387 0.845 5.259 1.00 0.00 O ATOM 1219 CB CYS A 82 2.124 1.666 2.937 1.00 0.00 C ATOM 1220 SG CYS A 82 3.168 2.641 1.799 1.00 0.00 S ATOM 0 H CYS A 82 2.978 0.204 5.192 1.00 0.00 H new ATOM 0 HA CYS A 82 2.654 3.058 4.474 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.354 0.608 2.807 1.00 0.00 H new ATOM 0 HB3 CYS A 82 1.079 1.802 2.659 1.00 0.00 H new ATOM 1225 N HIS A 83 0.462 3.063 5.627 1.00 0.00 N ATOM 1226 CA HIS A 83 -0.805 3.087 6.350 1.00 0.00 C ATOM 1227 C HIS A 83 -1.897 3.781 5.548 1.00 0.00 C ATOM 1228 O HIS A 83 -1.926 5.007 5.442 1.00 0.00 O ATOM 1229 CB HIS A 83 -0.641 3.775 7.700 1.00 0.00 C ATOM 1230 CG HIS A 83 -0.299 5.230 7.599 1.00 0.00 C ATOM 1231 ND1 HIS A 83 0.156 5.965 6.556 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -0.417 6.105 8.659 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 0.302 7.255 7.002 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -0.051 7.314 8.272 1.00 0.00 N flip ATOM 0 H HIS A 83 0.916 3.972 5.537 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.106 2.051 6.509 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -1.566 3.667 8.267 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.140 3.266 8.264 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.756 5.843 9.650 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.650 8.088 6.409 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.043 8.151 8.856 1.00 0.00 H new ATOM 1243 N CYS A 84 -2.801 2.981 5.005 1.00 0.00 N ATOM 1244 CA CYS A 84 -3.918 3.492 4.218 1.00 0.00 C ATOM 1245 C CYS A 84 -5.001 4.067 5.127 1.00 0.00 C ATOM 1246 O CYS A 84 -5.132 3.663 6.283 1.00 0.00 O ATOM 1247 CB CYS A 84 -4.503 2.374 3.354 1.00 0.00 C ATOM 1248 SG CYS A 84 -5.412 2.958 1.889 1.00 0.00 S ATOM 0 H CYS A 84 -2.784 1.965 5.095 1.00 0.00 H new ATOM 0 HA CYS A 84 -3.549 4.289 3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.693 1.721 3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.173 1.770 3.966 1.00 0.00 H new ATOM 1253 N SER A 85 -5.775 5.009 4.600 1.00 0.00 N ATOM 1254 CA SER A 85 -6.845 5.634 5.369 1.00 0.00 C ATOM 1255 C SER A 85 -6.307 6.783 6.218 1.00 0.00 C ATOM 1256 O SER A 85 -6.710 6.961 7.367 1.00 0.00 O ATOM 1257 CB SER A 85 -7.530 4.601 6.266 1.00 0.00 C ATOM 1258 OG SER A 85 -7.400 3.295 5.731 1.00 0.00 O ATOM 0 H SER A 85 -5.682 5.356 3.645 1.00 0.00 H new ATOM 0 HA SER A 85 -7.575 6.035 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.092 4.634 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.586 4.850 6.373 1.00 0.00 H new ATOM 0 HG SER A 85 -6.655 2.834 6.171 1.00 0.00 H new ATOM 1264 N THR A 86 -5.395 7.559 5.643 1.00 0.00 N ATOM 1265 CA THR A 86 -4.804 8.690 6.349 1.00 0.00 C ATOM 1266 C THR A 86 -5.180 10.006 5.677 1.00 0.00 C ATOM 1267 O THR A 86 -4.363 10.921 5.583 1.00 0.00 O ATOM 1268 CB THR A 86 -3.281 8.550 6.404 1.00 0.00 C ATOM 1269 OG1 THR A 86 -2.756 9.243 7.522 1.00 0.00 O ATOM 1270 CG2 THR A 86 -2.585 9.082 5.169 1.00 0.00 C ATOM 0 H THR A 86 -5.050 7.426 4.693 1.00 0.00 H new ATOM 0 HA THR A 86 -5.197 8.694 7.366 1.00 0.00 H new ATOM 0 HB THR A 86 -3.092 7.479 6.475 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.946 8.790 7.837 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.508 8.952 5.274 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.933 8.536 4.292 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.813 10.141 5.051 1.00 0.00 H new ATOM 1278 N CYS A 87 -6.422 10.094 5.210 1.00 0.00 N ATOM 1279 CA CYS A 87 -6.900 11.302 4.547 1.00 0.00 C ATOM 1280 C CYS A 87 -8.316 11.650 4.996 1.00 0.00 C ATOM 1281 O CYS A 87 -9.218 11.807 4.174 1.00 0.00 O ATOM 1282 CB CYS A 87 -6.860 11.124 3.028 1.00 0.00 C ATOM 1283 SG CYS A 87 -5.175 11.038 2.337 1.00 0.00 S ATOM 0 H CYS A 87 -7.113 9.347 5.278 1.00 0.00 H new ATOM 0 HA CYS A 87 -6.241 12.124 4.827 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.397 10.213 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.392 11.953 2.561 1.00 0.00 H new ATOM 1288 N TYR A 88 -8.501 11.773 6.307 1.00 0.00 N ATOM 1289 CA TYR A 88 -9.805 12.109 6.867 1.00 0.00 C ATOM 1290 C TYR A 88 -10.893 11.190 6.321 1.00 0.00 C ATOM 1291 O TYR A 88 -10.612 10.250 5.576 1.00 0.00 O ATOM 1292 CB TYR A 88 -10.151 13.567 6.562 1.00 0.00 C ATOM 1293 CG TYR A 88 -9.258 14.563 7.268 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -8.675 14.258 8.491 1.00 0.00 C ATOM 1295 CD2 TYR A 88 -8.998 15.809 6.711 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -7.858 15.164 9.139 1.00 0.00 C ATOM 1297 CE2 TYR A 88 -8.182 16.720 7.353 1.00 0.00 C ATOM 1298 CZ TYR A 88 -7.615 16.394 8.566 1.00 0.00 C ATOM 1299 OH TYR A 88 -6.802 17.299 9.207 1.00 0.00 O ATOM 0 H TYR A 88 -7.764 11.645 7.001 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.753 11.971 7.947 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.083 13.730 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.186 13.753 6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.864 13.296 8.943 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.441 16.069 5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.412 14.910 10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -7.989 17.684 6.906 1.00 0.00 H new ATOM 0 HH TYR A 88 -6.733 18.115 8.669 1.00 0.00 H new ATOM 1309 N TYR A 89 -12.137 11.469 6.698 1.00 0.00 N ATOM 1310 CA TYR A 89 -13.272 10.674 6.248 1.00 0.00 C ATOM 1311 C TYR A 89 -13.152 9.227 6.713 1.00 0.00 C ATOM 1312 O TYR A 89 -12.467 8.416 6.087 1.00 0.00 O ATOM 1313 CB TYR A 89 -13.387 10.724 4.724 1.00 0.00 C ATOM 1314 CG TYR A 89 -14.687 11.326 4.238 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -14.999 12.654 4.497 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -15.602 10.563 3.523 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -16.187 13.207 4.056 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -16.792 11.109 3.079 1.00 0.00 C ATOM 1319 CZ TYR A 89 -17.079 12.430 3.348 1.00 0.00 C ATOM 1320 OH TYR A 89 -18.263 12.976 2.909 1.00 0.00 O ATOM 0 H TYR A 89 -12.384 12.242 7.316 1.00 0.00 H new ATOM 0 HA TYR A 89 -14.173 11.101 6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.555 11.303 4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.292 9.713 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.302 13.265 5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -15.380 9.528 3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.415 14.242 4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -17.493 10.503 2.524 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.777 12.296 2.426 1.00 0.00 H new ATOM 1330 N HIS A 90 -13.825 8.908 7.813 1.00 0.00 N ATOM 1331 CA HIS A 90 -13.800 7.557 8.363 1.00 0.00 C ATOM 1332 C HIS A 90 -15.213 7.049 8.638 1.00 0.00 C ATOM 1333 O HIS A 90 -15.428 5.852 8.825 1.00 0.00 O ATOM 1334 CB HIS A 90 -12.976 7.526 9.651 1.00 0.00 C ATOM 1335 CG HIS A 90 -11.498 7.543 9.416 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -10.922 7.199 8.211 1.00 0.00 N ATOM 1337 CD2 HIS A 90 -10.474 7.870 10.241 1.00 0.00 C ATOM 1338 CE1 HIS A 90 -9.609 7.311 8.306 1.00 0.00 C ATOM 1339 NE2 HIS A 90 -9.312 7.717 9.527 1.00 0.00 N ATOM 0 H HIS A 90 -14.395 9.567 8.342 1.00 0.00 H new ATOM 0 HA HIS A 90 -13.338 6.902 7.625 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -13.248 8.383 10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -13.235 6.631 10.217 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.557 8.191 11.269 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -8.899 7.105 7.519 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.371 7.889 9.882 1.00 0.00 H new ATOM 1348 N LYS A 91 -16.174 7.969 8.662 1.00 0.00 N ATOM 1349 CA LYS A 91 -17.565 7.613 8.915 1.00 0.00 C ATOM 1350 C LYS A 91 -18.327 7.438 7.602 1.00 0.00 C ATOM 1351 O LYS A 91 -18.406 8.363 6.793 1.00 0.00 O ATOM 1352 CB LYS A 91 -18.237 8.688 9.777 1.00 0.00 C ATOM 1353 CG LYS A 91 -19.656 9.031 9.345 1.00 0.00 C ATOM 1354 CD LYS A 91 -20.396 9.797 10.428 1.00 0.00 C ATOM 1355 CE LYS A 91 -21.209 10.940 9.843 1.00 0.00 C ATOM 1356 NZ LYS A 91 -22.543 11.061 10.492 1.00 0.00 N ATOM 0 H LYS A 91 -16.014 8.965 8.509 1.00 0.00 H new ATOM 0 HA LYS A 91 -17.585 6.665 9.452 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.255 8.349 10.813 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.631 9.593 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -19.626 9.626 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -20.198 8.115 9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -21.056 9.119 10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -19.681 10.190 11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -20.661 11.874 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -21.339 10.782 8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -23.066 11.852 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -23.077 10.179 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -22.419 11.237 11.510 1.00 0.00 H new ATOM 1370 N SER A 92 -18.886 6.250 7.400 1.00 0.00 N ATOM 1371 CA SER A 92 -19.643 5.961 6.188 1.00 0.00 C ATOM 1372 C SER A 92 -20.995 6.665 6.213 1.00 0.00 C ATOM 1373 O SER A 92 -22.027 5.963 6.276 1.00 0.00 O ATOM 1374 CB SER A 92 -19.844 4.453 6.033 1.00 0.00 C ATOM 1375 OG SER A 92 -18.636 3.748 6.261 1.00 0.00 O ATOM 1376 OXT SER A 92 -21.012 7.913 6.172 1.00 0.00 O ATOM 0 H SER A 92 -18.829 5.473 8.058 1.00 0.00 H new ATOM 0 HA SER A 92 -19.074 6.333 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.605 4.111 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.212 4.234 5.031 1.00 0.00 H new ATOM 0 HG SER A 92 -18.794 2.786 6.157 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.813 -0.716 1.683 1.00 0.00 C HETATM 1384 C2 NAG A 178 15.190 -1.316 1.950 1.00 0.00 C HETATM 1385 C3 NAG A 178 15.114 -2.836 1.960 1.00 0.00 C HETATM 1386 C4 NAG A 178 14.027 -3.305 2.911 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.708 -2.623 2.584 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.605 -2.970 3.564 1.00 0.00 C HETATM 1389 C7 NAG A 178 17.187 -0.172 1.237 1.00 0.00 C HETATM 1390 C8 NAG A 178 18.112 0.249 0.107 1.00 0.00 C HETATM 1391 N2 NAG A 178 16.113 -0.887 0.917 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.363 -3.364 2.381 1.00 0.00 O HETATM 1393 O4 NAG A 178 13.862 -4.732 2.790 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.849 -1.204 2.624 1.00 0.00 O HETATM 1395 O6 NAG A 178 12.038 -2.815 4.907 1.00 0.00 O HETATM 1396 O7 NAG A 178 17.450 0.153 2.395 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.305 -3.044 5.516 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.318 -4.343 2.391 1.00 0.00 H new HETATM 0 HN2 NAG A 178 15.938 -1.134 -0.057 1.00 0.00 H new HETATM 0 H83 NAG A 178 18.496 -0.637 -0.398 1.00 0.00 H new HETATM 0 H82 NAG A 178 17.560 0.862 -0.606 1.00 0.00 H new HETATM 0 H81 NAG A 178 18.944 0.825 0.513 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.741 -2.331 3.383 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.281 -3.998 3.401 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.441 -2.978 1.589 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.320 -3.049 3.929 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.879 -3.185 0.954 1.00 0.00 H new HETATM 0 H2 NAG A 178 15.540 -0.974 2.924 1.00 0.00 H new HETATM 1410 C1 NAG A 179 13.339 -5.374 3.902 1.00 0.00 C HETATM 1411 C2 NAG A 179 12.957 -6.803 3.545 1.00 0.00 C HETATM 1412 C3 NAG A 179 12.438 -7.520 4.780 1.00 0.00 C HETATM 1413 C4 NAG A 179 13.430 -7.400 5.918 1.00 0.00 C HETATM 1414 C5 NAG A 179 13.822 -5.947 6.149 1.00 0.00 C HETATM 1415 C6 NAG A 179 14.911 -5.803 7.191 1.00 0.00 C HETATM 1416 C7 NAG A 179 10.693 -7.208 2.735 1.00 0.00 C HETATM 1417 C8 NAG A 179 9.644 -6.896 1.681 1.00 0.00 C HETATM 1418 N2 NAG A 179 11.933 -6.770 2.506 1.00 0.00 N HETATM 1419 O3 NAG A 179 12.246 -8.896 4.478 1.00 0.00 O HETATM 1420 O4 NAG A 179 12.827 -7.906 7.122 1.00 0.00 O HETATM 1421 O5 NAG A 179 14.321 -5.348 4.940 1.00 0.00 O HETATM 1422 O6 NAG A 179 16.101 -6.465 6.788 1.00 0.00 O HETATM 1423 O7 NAG A 179 10.373 -7.853 3.733 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.143 -6.496 5.809 1.00 0.00 H new HETATM 0 HO3 NAG A 179 11.305 -9.053 4.252 1.00 0.00 H new HETATM 0 HN2 NAG A 179 12.170 -6.404 1.584 1.00 0.00 H new HETATM 0 H83 NAG A 179 9.555 -5.816 1.564 1.00 0.00 H new HETATM 0 H82 NAG A 179 9.940 -7.340 0.731 1.00 0.00 H new HETATM 0 H81 NAG A 179 8.683 -7.308 1.991 1.00 0.00 H new HETATM 0 H62 NAG A 179 15.119 -4.746 7.359 1.00 0.00 H new HETATM 0 H61 NAG A 179 14.567 -6.215 8.140 1.00 0.00 H new HETATM 0 H5 NAG A 179 12.914 -5.450 6.490 1.00 0.00 H new HETATM 0 H4 NAG A 179 14.321 -7.971 5.659 1.00 0.00 H new HETATM 0 H3 NAG A 179 11.495 -7.064 5.080 1.00 0.00 H new HETATM 0 H2 NAG A 179 13.829 -7.342 3.176 1.00 0.00 H new HETATM 1437 C1 BMA A 180 13.568 -8.824 7.841 1.00 0.00 C HETATM 1438 C2 BMA A 180 13.232 -8.691 9.317 1.00 0.00 C HETATM 1439 C3 BMA A 180 13.937 -9.762 10.125 1.00 0.00 C HETATM 1440 C4 BMA A 180 13.643 -11.136 9.546 1.00 0.00 C HETATM 1441 C5 BMA A 180 13.965 -11.168 8.056 1.00 0.00 C HETATM 1442 C6 BMA A 180 13.572 -12.476 7.399 1.00 0.00 C HETATM 1443 O2 BMA A 180 11.829 -8.831 9.486 1.00 0.00 O HETATM 1444 O3 BMA A 180 13.470 -9.702 11.487 1.00 0.00 O HETATM 1445 O4 BMA A 180 14.441 -12.101 10.216 1.00 0.00 O HETATM 1446 O5 BMA A 180 13.256 -10.133 7.348 1.00 0.00 O HETATM 1447 O6 BMA A 180 13.694 -12.352 5.968 1.00 0.00 O HETATM 0 HO4 BMA A 180 14.049 -12.991 10.094 1.00 0.00 H new HETATM 0 HO2 BMA A 180 11.642 -9.205 10.372 1.00 0.00 H new HETATM 0 H62 BMA A 180 14.210 -13.283 7.760 1.00 0.00 H new HETATM 0 H61 BMA A 180 12.548 -12.736 7.666 1.00 0.00 H new HETATM 0 H5 BMA A 180 15.045 -11.029 7.997 1.00 0.00 H new HETATM 0 H4 BMA A 180 12.585 -11.359 9.682 1.00 0.00 H new HETATM 0 H3 BMA A 180 15.013 -9.591 10.091 1.00 0.00 H new HETATM 0 H2 BMA A 180 13.563 -7.713 9.667 1.00 0.00 H new HETATM 1457 C1 MAN A 181 14.233 -8.884 12.329 1.00 0.00 C HETATM 1458 C2 MAN A 181 13.588 -8.858 13.708 1.00 0.00 C HETATM 1459 C3 MAN A 181 12.258 -8.129 13.665 1.00 0.00 C HETATM 1460 C4 MAN A 181 12.438 -6.744 13.074 1.00 0.00 C HETATM 1461 C5 MAN A 181 13.117 -6.830 11.716 1.00 0.00 C HETATM 1462 C6 MAN A 181 13.463 -5.466 11.154 1.00 0.00 C HETATM 1463 O2 MAN A 181 14.468 -8.166 14.612 1.00 0.00 O HETATM 1464 O3 MAN A 181 11.745 -8.010 14.984 1.00 0.00 O HETATM 1465 O4 MAN A 181 11.163 -6.133 12.923 1.00 0.00 O HETATM 1466 O5 MAN A 181 14.355 -7.566 11.798 1.00 0.00 O HETATM 1467 O6 MAN A 181 12.293 -4.704 10.894 1.00 0.00 O HETATM 0 HO6 MAN A 181 12.546 -3.828 10.534 1.00 0.00 H new HETATM 0 HO4 MAN A 181 11.202 -5.468 12.204 1.00 0.00 H new HETATM 0 HO3 MAN A 181 12.358 -8.443 15.614 1.00 0.00 H new HETATM 0 H62 MAN A 181 14.099 -4.931 11.859 1.00 0.00 H new HETATM 0 H61 MAN A 181 14.035 -5.584 10.234 1.00 0.00 H new HETATM 0 H5 MAN A 181 12.399 -7.331 11.067 1.00 0.00 H new HETATM 0 H4 MAN A 181 13.062 -6.151 13.743 1.00 0.00 H new HETATM 0 H3 MAN A 181 11.564 -8.695 13.044 1.00 0.00 H new HETATM 0 H2 MAN A 181 13.416 -9.882 14.040 1.00 0.00 H new HETATM 1478 C1 MAN A 182 14.790 -13.041 5.420 1.00 0.00 C HETATM 1479 C2 MAN A 182 14.495 -14.541 5.448 1.00 0.00 C HETATM 1480 C3 MAN A 182 14.665 -15.126 6.841 1.00 0.00 C HETATM 1481 C4 MAN A 182 16.037 -14.793 7.388 1.00 0.00 C HETATM 1482 C5 MAN A 182 16.265 -13.287 7.380 1.00 0.00 C HETATM 1483 C6 MAN A 182 17.688 -12.918 7.751 1.00 0.00 C HETATM 1484 O2 MAN A 182 15.421 -15.196 4.571 1.00 0.00 O HETATM 1485 O3 MAN A 182 14.522 -16.536 6.770 1.00 0.00 O HETATM 1486 O4 MAN A 182 16.133 -15.282 8.719 1.00 0.00 O HETATM 1487 O5 MAN A 182 16.033 -12.724 6.069 1.00 0.00 O HETATM 1488 O6 MAN A 182 18.027 -13.373 9.052 1.00 0.00 O HETATM 0 HO6 MAN A 182 18.951 -13.119 9.257 1.00 0.00 H new HETATM 0 HO4 MAN A 182 16.809 -14.768 9.208 1.00 0.00 H new HETATM 0 HO3 MAN A 182 14.738 -16.841 5.864 1.00 0.00 H new HETATM 0 H62 MAN A 182 18.377 -13.349 7.024 1.00 0.00 H new HETATM 0 H61 MAN A 182 17.808 -11.836 7.701 1.00 0.00 H new HETATM 0 H5 MAN A 182 15.563 -12.890 8.114 1.00 0.00 H new HETATM 0 H4 MAN A 182 16.796 -15.261 6.760 1.00 0.00 H new HETATM 0 H3 MAN A 182 13.908 -14.702 7.501 1.00 0.00 H new HETATM 0 H2 MAN A 182 13.461 -14.693 5.137 1.00 0.00 H new HETATM 1499 C1 NAG A 183 15.026 -15.391 3.259 1.00 0.00 C HETATM 1500 C2 NAG A 183 16.264 -15.788 2.453 1.00 0.00 C HETATM 1501 C3 NAG A 183 15.883 -16.134 1.027 1.00 0.00 C HETATM 1502 C4 NAG A 183 14.791 -17.186 1.016 1.00 0.00 C HETATM 1503 C5 NAG A 183 13.627 -16.746 1.893 1.00 0.00 C HETATM 1504 C6 NAG A 183 12.557 -17.812 2.016 1.00 0.00 C HETATM 1505 C7 NAG A 183 16.828 -13.506 1.928 1.00 0.00 C HETATM 1506 C8 NAG A 183 17.810 -12.351 2.054 1.00 0.00 C HETATM 1507 N2 NAG A 183 17.192 -14.675 2.444 1.00 0.00 N HETATM 1508 O3 NAG A 183 17.027 -16.635 0.351 1.00 0.00 O HETATM 1509 O4 NAG A 183 14.324 -17.370 -0.335 1.00 0.00 O HETATM 1510 O5 NAG A 183 14.073 -16.450 3.230 1.00 0.00 O HETATM 1511 O6 NAG A 183 11.482 -17.370 2.834 1.00 0.00 O HETATM 1512 O7 NAG A 183 15.747 -13.331 1.366 1.00 0.00 O HETATM 0 HO6 NAG A 183 11.809 -16.700 3.470 1.00 0.00 H new HETATM 0 HO3 NAG A 183 16.743 -17.179 -0.413 1.00 0.00 H new HETATM 0 HN2 NAG A 183 18.127 -14.789 2.835 1.00 0.00 H new HETATM 0 H83 NAG A 183 18.006 -12.154 3.108 1.00 0.00 H new HETATM 0 H82 NAG A 183 18.743 -12.610 1.554 1.00 0.00 H new HETATM 0 H81 NAG A 183 17.385 -11.460 1.591 1.00 0.00 H new HETATM 0 H62 NAG A 183 12.182 -18.070 1.026 1.00 0.00 H new HETATM 0 H61 NAG A 183 12.990 -18.719 2.439 1.00 0.00 H new HETATM 0 H5 NAG A 183 13.214 -15.863 1.406 1.00 0.00 H new HETATM 0 H4 NAG A 183 15.194 -18.122 1.403 1.00 0.00 H new HETATM 0 H3 NAG A 183 15.515 -15.239 0.527 1.00 0.00 H new HETATM 0 H2 NAG A 183 16.724 -16.663 2.913 1.00 0.00 H new HETATM 1526 C1 NAG A 184 14.949 -8.890 15.687 1.00 0.00 C HETATM 1527 C2 NAG A 184 15.748 -7.964 16.607 1.00 0.00 C HETATM 1528 C3 NAG A 184 16.187 -8.708 17.853 1.00 0.00 C HETATM 1529 C4 NAG A 184 14.997 -9.364 18.524 1.00 0.00 C HETATM 1530 C5 NAG A 184 14.222 -10.215 17.525 1.00 0.00 C HETATM 1531 C6 NAG A 184 12.949 -10.788 18.115 1.00 0.00 C HETATM 1532 C7 NAG A 184 16.794 -6.773 14.782 1.00 0.00 C HETATM 1533 C8 NAG A 184 18.056 -6.498 13.981 1.00 0.00 C HETATM 1534 N2 NAG A 184 16.923 -7.480 15.902 1.00 0.00 N HETATM 1535 O3 NAG A 184 16.787 -7.792 18.757 1.00 0.00 O HETATM 1536 O4 NAG A 184 15.469 -10.203 19.596 1.00 0.00 O HETATM 1537 O5 NAG A 184 13.829 -9.437 16.381 1.00 0.00 O HETATM 1538 O6 NAG A 184 13.231 -11.712 19.155 1.00 0.00 O HETATM 1539 O7 NAG A 184 15.714 -6.331 14.389 1.00 0.00 O HETATM 0 HO6 NAG A 184 13.125 -11.270 20.023 1.00 0.00 H new HETATM 0 HO3 NAG A 184 17.032 -8.260 19.583 1.00 0.00 H new HETATM 0 HN2 NAG A 184 17.853 -7.684 16.268 1.00 0.00 H new HETATM 0 H83 NAG A 184 18.763 -5.940 14.595 1.00 0.00 H new HETATM 0 H82 NAG A 184 18.507 -7.443 13.677 1.00 0.00 H new HETATM 0 H81 NAG A 184 17.805 -5.914 13.096 1.00 0.00 H new HETATM 0 H62 NAG A 184 12.330 -9.979 18.503 1.00 0.00 H new HETATM 0 H61 NAG A 184 12.374 -11.283 17.332 1.00 0.00 H new HETATM 0 H5 NAG A 184 14.899 -11.022 17.246 1.00 0.00 H new HETATM 0 H4 NAG A 184 14.336 -8.589 18.912 1.00 0.00 H new HETATM 0 H3 NAG A 184 16.903 -9.480 17.570 1.00 0.00 H new HETATM 0 H2 NAG A 184 15.115 -7.126 16.898 1.00 0.00 H new HETATM 1553 C1 GAL A 185 14.982 -9.918 20.862 1.00 0.00 C HETATM 1554 C2 GAL A 185 15.313 -8.478 21.230 1.00 0.00 C HETATM 1555 C3 GAL A 185 14.689 -8.115 22.565 1.00 0.00 C HETATM 1556 C4 GAL A 185 13.204 -8.438 22.564 1.00 0.00 C HETATM 1557 C5 GAL A 185 12.969 -9.880 22.139 1.00 0.00 C HETATM 1558 C6 GAL A 185 11.496 -10.211 22.010 1.00 0.00 C HETATM 1559 O2 GAL A 185 16.723 -8.333 21.321 1.00 0.00 O HETATM 1560 O3 GAL A 185 14.862 -6.725 22.799 1.00 0.00 O HETATM 1561 O4 GAL A 185 12.541 -7.573 21.654 1.00 0.00 O HETATM 1562 O5 GAL A 185 13.566 -10.141 20.855 1.00 0.00 O HETATM 1563 O6 GAL A 185 10.820 -10.049 23.249 1.00 0.00 O HETATM 0 HO6 GAL A 185 9.872 -10.268 23.135 1.00 0.00 H new HETATM 0 HO4 GAL A 185 12.507 -7.993 20.769 1.00 0.00 H new HETATM 0 HO3 GAL A 185 14.038 -6.249 22.566 1.00 0.00 H new HETATM 0 HO2 GAL A 185 16.942 -7.407 21.556 1.00 0.00 H new HETATM 0 H62 GAL A 185 11.041 -9.567 21.258 1.00 0.00 H new HETATM 0 H61 GAL A 185 11.381 -11.238 21.662 1.00 0.00 H new HETATM 0 H5 GAL A 185 13.420 -10.493 22.919 1.00 0.00 H new HETATM 0 H4 GAL A 185 12.814 -8.300 23.572 1.00 0.00 H new HETATM 0 H3 GAL A 185 15.176 -8.693 23.350 1.00 0.00 H new HETATM 0 H2 GAL A 185 14.914 -7.816 20.461 1.00 0.00 H new HETATM 1575 C1 GAL A 186 14.858 -18.449 -1.022 1.00 0.00 C HETATM 1576 C2 GAL A 186 14.300 -18.478 -2.440 1.00 0.00 C HETATM 1577 C3 GAL A 186 14.964 -19.577 -3.250 1.00 0.00 C HETATM 1578 C4 GAL A 186 16.475 -19.458 -3.174 1.00 0.00 C HETATM 1579 C5 GAL A 186 16.934 -19.387 -1.725 1.00 0.00 C HETATM 1580 C6 GAL A 186 18.426 -19.144 -1.604 1.00 0.00 C HETATM 1581 O2 GAL A 186 12.903 -18.721 -2.385 1.00 0.00 O HETATM 1582 O3 GAL A 186 14.556 -19.469 -4.608 1.00 0.00 O HETATM 1583 O4 GAL A 186 16.883 -18.276 -3.847 1.00 0.00 O HETATM 1584 O5 GAL A 186 16.283 -18.310 -1.028 1.00 0.00 O HETATM 1585 O6 GAL A 186 18.800 -17.922 -2.223 1.00 0.00 O HETATM 0 HO6 GAL A 186 19.767 -17.790 -2.129 1.00 0.00 H new HETATM 0 HO4 GAL A 186 17.499 -17.771 -3.277 1.00 0.00 H new HETATM 0 HO3 GAL A 186 15.163 -18.866 -5.085 1.00 0.00 H new HETATM 0 HO2 GAL A 186 12.540 -18.356 -1.551 1.00 0.00 H new HETATM 0 H62 GAL A 186 18.709 -19.123 -0.552 1.00 0.00 H new HETATM 0 H61 GAL A 186 18.970 -19.969 -2.064 1.00 0.00 H new HETATM 0 H5 GAL A 186 16.677 -20.353 -1.290 1.00 0.00 H new HETATM 0 H4 GAL A 186 16.921 -20.335 -3.643 1.00 0.00 H new HETATM 0 H3 GAL A 186 14.666 -20.543 -2.842 1.00 0.00 H new HETATM 0 H2 GAL A 186 14.498 -17.518 -2.917 1.00 0.00 H new