USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 TYR OH : rot -38:sc= 0.289 USER MOD Set 1.2: A 96 GLN : amide:sc= 0.266 K(o=0.55,f=-0.66) USER MOD Set 2.1: A 48 THR OG1 : rot -85:sc= 1.19 USER MOD Set 2.2: A 53 ASN : amide:sc= -0.159 X(o=1,f=1.2) USER MOD Set 3.1: A 1 GLN : amide:sc= 0.0881 K(o=0.91,f=-2.2!) USER MOD Set 3.2: A 22 TYR OH : rot 20:sc= 0.236 USER MOD Set 3.3: A 80 HIS : no HD1:sc= 0.585 K(o=0.91,f=-0.58) USER MOD Single : A 1 GLN N :NH3+ -159:sc= 0.469 (180deg=0.19) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.394 K(o=0.39,f=-6.4!) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0202) USER MOD Single : A 24 SER OG : rot -179:sc= 0.847 USER MOD Single : A 31 ASN : amide:sc= -5.29! C(o=-5.3!,f=-15!) USER MOD Single : A 33 SER OG : rot -0:sc= 0.532 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 1.03 (180deg=0.986) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 1.13 (180deg=0.965) USER MOD Single : A 51 LYS NZ :NH3+ 166:sc= 1.33 (180deg=1.07) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= -0.016 (180deg=-0.133) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc=-0.00797 (180deg=-0.183) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0236 USER MOD Single : A 74 THR OG1 : rot 170:sc= -1.07 USER MOD Single : A 77 MET CE :methyl 179:sc= -0.373 (180deg=-0.373) USER MOD Single : A 78 SER OG : rot -24:sc= 0.186 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 174:sc= -4.4! (180deg=-4.48!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= 1.87 (180deg=1.71) USER MOD Single : A 92 LYS NZ :NH3+ 163:sc= -0.0439 (180deg=-0.277) USER MOD Single : A 95 SER OG : rot -26:sc= 1.02 USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0139 (180deg=-0.183) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 165:sc= -0.0372 (180deg=-0.246) USER MOD Single : A 105 THR OG1 : rot 43:sc= 0.509 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -4.230 -4.443 13.845 1.00 0.00 N ATOM 2 CA GLN A 1 -3.062 -3.538 13.758 1.00 0.00 C ATOM 3 C GLN A 1 -3.450 -2.147 14.242 1.00 0.00 C ATOM 4 O GLN A 1 -4.402 -2.018 15.013 1.00 0.00 O ATOM 5 CB GLN A 1 -2.511 -3.492 12.330 1.00 0.00 C ATOM 6 CG GLN A 1 -2.192 -4.867 11.763 1.00 0.00 C ATOM 7 CD GLN A 1 -1.539 -5.783 12.782 1.00 0.00 C ATOM 8 OE1 GLN A 1 -2.223 -6.512 13.494 1.00 0.00 O ATOM 9 NE2 GLN A 1 -0.220 -5.745 12.866 1.00 0.00 N ATOM 0 H1 GLN A 1 -3.904 -5.430 13.864 1.00 0.00 H new ATOM 0 H2 GLN A 1 -4.764 -4.238 14.713 1.00 0.00 H new ATOM 0 H3 GLN A 1 -4.844 -4.298 13.018 1.00 0.00 H new ATOM 0 HA GLN A 1 -2.270 -3.922 14.401 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -3.237 -3.000 11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -1.607 -2.882 12.316 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -3.111 -5.329 11.402 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -1.531 -4.757 10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.312 -5.125 12.256 1.00 0.00 H new ATOM 0 HE22 GLN A 1 0.265 -6.336 13.541 1.00 0.00 H new ATOM 20 N GLU A 2 -2.740 -1.110 13.771 1.00 0.00 N ATOM 21 CA GLU A 2 -2.875 0.238 14.325 1.00 0.00 C ATOM 22 C GLU A 2 -2.723 0.199 15.845 1.00 0.00 C ATOM 23 O GLU A 2 -3.705 0.113 16.584 1.00 0.00 O ATOM 24 CB GLU A 2 -4.212 0.865 13.922 1.00 0.00 C ATOM 25 CG GLU A 2 -4.372 2.297 14.403 1.00 0.00 C ATOM 26 CD GLU A 2 -3.081 3.083 14.306 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.603 3.315 13.180 1.00 0.00 O ATOM 28 OE2 GLU A 2 -2.541 3.466 15.367 1.00 0.00 O ATOM 0 H GLU A 2 -2.068 -1.184 13.008 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.082 0.863 13.914 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.304 0.841 12.836 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.025 0.261 14.324 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.142 2.793 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.716 2.294 15.437 1.00 0.00 H new ATOM 35 N ALA A 3 -1.479 0.267 16.303 1.00 0.00 N ATOM 36 CA ALA A 3 -1.168 0.113 17.719 1.00 0.00 C ATOM 37 C ALA A 3 -1.513 1.362 18.529 1.00 0.00 C ATOM 38 O ALA A 3 -1.149 1.469 19.699 1.00 0.00 O ATOM 39 CB ALA A 3 0.300 -0.239 17.896 1.00 0.00 C ATOM 0 H ALA A 3 -0.665 0.429 15.710 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.787 -0.699 18.100 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.522 -0.352 18.957 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.515 -1.174 17.379 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.918 0.556 17.479 1.00 0.00 H new ATOM 45 N GLY A 4 -2.198 2.308 17.907 1.00 0.00 N ATOM 46 CA GLY A 4 -2.608 3.503 18.610 1.00 0.00 C ATOM 47 C GLY A 4 -1.735 4.687 18.267 1.00 0.00 C ATOM 48 O GLY A 4 -2.236 5.775 17.981 1.00 0.00 O ATOM 0 H GLY A 4 -2.477 2.269 16.927 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.644 3.732 18.362 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.570 3.323 19.684 1.00 0.00 H new ATOM 52 N GLY A 5 -0.427 4.468 18.273 1.00 0.00 N ATOM 53 CA GLY A 5 0.511 5.536 17.987 1.00 0.00 C ATOM 54 C GLY A 5 0.859 5.631 16.515 1.00 0.00 C ATOM 55 O GLY A 5 1.859 6.252 16.153 1.00 0.00 O ATOM 0 H GLY A 5 0.003 3.565 18.472 1.00 0.00 H new ATOM 0 HA2 GLY A 5 0.087 6.484 18.318 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.423 5.377 18.562 1.00 0.00 H new ATOM 59 N ARG A 6 0.026 5.015 15.677 1.00 0.00 N ATOM 60 CA ARG A 6 0.195 5.039 14.221 1.00 0.00 C ATOM 61 C ARG A 6 1.582 4.529 13.824 1.00 0.00 C ATOM 62 O ARG A 6 2.465 5.308 13.468 1.00 0.00 O ATOM 63 CB ARG A 6 -0.014 6.457 13.668 1.00 0.00 C ATOM 64 CG ARG A 6 -1.174 7.205 14.308 1.00 0.00 C ATOM 65 CD ARG A 6 -2.489 6.453 14.179 1.00 0.00 C ATOM 66 NE ARG A 6 -3.012 6.457 12.816 1.00 0.00 N ATOM 67 CZ ARG A 6 -4.286 6.206 12.511 1.00 0.00 C ATOM 68 NH1 ARG A 6 -5.142 5.841 13.461 1.00 0.00 N ATOM 69 NH2 ARG A 6 -4.702 6.324 11.258 1.00 0.00 N ATOM 0 H ARG A 6 -0.787 4.484 15.987 1.00 0.00 H new ATOM 0 HA ARG A 6 -0.559 4.379 13.791 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.901 7.032 13.814 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.183 6.396 12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.957 7.373 15.363 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.272 8.186 13.842 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.347 5.423 14.506 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.225 6.900 14.847 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.367 6.663 12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.825 5.752 14.426 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.116 5.650 13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.048 6.607 10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.676 6.132 11.024 1.00 0.00 H new ATOM 83 N PRO A 7 1.801 3.211 13.886 1.00 0.00 N ATOM 84 CA PRO A 7 3.076 2.608 13.567 1.00 0.00 C ATOM 85 C PRO A 7 3.109 2.091 12.136 1.00 0.00 C ATOM 86 O PRO A 7 3.275 0.894 11.897 1.00 0.00 O ATOM 87 CB PRO A 7 3.135 1.452 14.566 1.00 0.00 C ATOM 88 CG PRO A 7 1.701 1.083 14.835 1.00 0.00 C ATOM 89 CD PRO A 7 0.832 2.187 14.270 1.00 0.00 C ATOM 0 HA PRO A 7 3.915 3.301 13.635 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.688 0.607 14.157 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.643 1.751 15.483 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.457 0.128 14.370 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.529 0.970 15.905 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.249 1.843 13.415 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.123 2.560 15.010 1.00 0.00 H new ATOM 97 N GLY A 8 2.935 2.993 11.183 1.00 0.00 N ATOM 98 CA GLY A 8 2.879 2.578 9.801 1.00 0.00 C ATOM 99 C GLY A 8 4.209 2.724 9.101 1.00 0.00 C ATOM 100 O GLY A 8 4.435 2.104 8.066 1.00 0.00 O ATOM 0 H GLY A 8 2.833 3.996 11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.557 1.538 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.129 3.170 9.277 1.00 0.00 H new ATOM 104 N ALA A 9 5.079 3.555 9.678 1.00 0.00 N ATOM 105 CA ALA A 9 6.372 3.899 9.086 1.00 0.00 C ATOM 106 C ALA A 9 7.041 4.992 9.911 1.00 0.00 C ATOM 107 O ALA A 9 6.759 5.133 11.101 1.00 0.00 O ATOM 108 CB ALA A 9 6.215 4.360 7.642 1.00 0.00 C ATOM 0 H ALA A 9 4.905 4.010 10.574 1.00 0.00 H new ATOM 0 HA ALA A 9 6.996 3.005 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.194 4.608 7.231 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.765 3.561 7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.574 5.241 7.609 1.00 0.00 H new ATOM 114 N ASP A 10 7.890 5.785 9.272 1.00 0.00 N ATOM 115 CA ASP A 10 8.636 6.833 9.961 1.00 0.00 C ATOM 116 C ASP A 10 8.328 8.193 9.348 1.00 0.00 C ATOM 117 O ASP A 10 8.249 9.194 10.054 1.00 0.00 O ATOM 118 CB ASP A 10 10.139 6.551 9.889 1.00 0.00 C ATOM 119 CG ASP A 10 10.970 7.611 10.586 1.00 0.00 C ATOM 120 OD1 ASP A 10 11.027 7.602 11.834 1.00 0.00 O ATOM 121 OD2 ASP A 10 11.591 8.443 9.894 1.00 0.00 O ATOM 0 H ASP A 10 8.081 5.723 8.272 1.00 0.00 H new ATOM 0 HA ASP A 10 8.331 6.844 11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.344 5.580 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.442 6.487 8.844 1.00 0.00 H new ATOM 126 N CYS A 11 8.157 8.209 8.029 1.00 0.00 N ATOM 127 CA CYS A 11 7.805 9.424 7.296 1.00 0.00 C ATOM 128 C CYS A 11 6.517 10.040 7.848 1.00 0.00 C ATOM 129 O CYS A 11 6.588 10.963 8.660 1.00 0.00 O ATOM 130 CB CYS A 11 7.675 9.089 5.814 1.00 0.00 C ATOM 131 SG CYS A 11 9.139 8.230 5.146 1.00 0.00 S ATOM 0 H CYS A 11 8.258 7.383 7.439 1.00 0.00 H new ATOM 0 HA CYS A 11 8.592 10.168 7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.794 8.464 5.664 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.513 10.009 5.252 1.00 0.00 H new ATOM 136 N GLU A 12 5.353 9.523 7.425 1.00 0.00 N ATOM 137 CA GLU A 12 4.063 9.920 8.015 1.00 0.00 C ATOM 138 C GLU A 12 2.886 9.375 7.212 1.00 0.00 C ATOM 139 O GLU A 12 2.290 8.371 7.579 1.00 0.00 O ATOM 140 CB GLU A 12 3.915 11.448 8.102 1.00 0.00 C ATOM 141 CG GLU A 12 2.751 11.910 8.964 1.00 0.00 C ATOM 142 CD GLU A 12 2.996 11.688 10.441 1.00 0.00 C ATOM 143 OE1 GLU A 12 3.651 12.546 11.071 1.00 0.00 O ATOM 144 OE2 GLU A 12 2.527 10.667 10.982 1.00 0.00 O ATOM 0 H GLU A 12 5.277 8.831 6.679 1.00 0.00 H new ATOM 0 HA GLU A 12 4.054 9.497 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.838 11.870 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.790 11.848 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.569 12.970 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.848 11.377 8.665 1.00 0.00 H new ATOM 151 N VAL A 13 2.562 10.041 6.109 1.00 0.00 N ATOM 152 CA VAL A 13 1.359 9.721 5.343 1.00 0.00 C ATOM 153 C VAL A 13 1.434 8.320 4.745 1.00 0.00 C ATOM 154 O VAL A 13 0.442 7.592 4.722 1.00 0.00 O ATOM 155 CB VAL A 13 1.116 10.765 4.235 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.165 10.465 3.469 1.00 0.00 C ATOM 157 CG2 VAL A 13 1.058 12.156 4.843 1.00 0.00 C ATOM 0 H VAL A 13 3.115 10.807 5.724 1.00 0.00 H new ATOM 0 HA VAL A 13 0.517 9.747 6.034 1.00 0.00 H new ATOM 0 HB VAL A 13 1.945 10.718 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.310 11.218 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.091 9.480 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.012 10.482 4.155 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.886 12.890 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.245 12.203 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.002 12.374 5.343 1.00 0.00 H new ATOM 167 N CYS A 14 2.620 7.931 4.289 1.00 0.00 N ATOM 168 CA CYS A 14 2.829 6.576 3.799 1.00 0.00 C ATOM 169 C CYS A 14 2.544 5.575 4.912 1.00 0.00 C ATOM 170 O CYS A 14 2.078 4.468 4.664 1.00 0.00 O ATOM 171 CB CYS A 14 4.265 6.391 3.302 1.00 0.00 C ATOM 172 SG CYS A 14 5.524 6.426 4.624 1.00 0.00 S ATOM 0 H CYS A 14 3.444 8.530 4.249 1.00 0.00 H new ATOM 0 HA CYS A 14 2.147 6.404 2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.335 5.440 2.774 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.491 7.175 2.579 1.00 0.00 H new ATOM 177 N LYS A 15 2.795 5.998 6.145 1.00 0.00 N ATOM 178 CA LYS A 15 2.654 5.129 7.295 1.00 0.00 C ATOM 179 C LYS A 15 1.184 4.872 7.582 1.00 0.00 C ATOM 180 O LYS A 15 0.783 3.748 7.884 1.00 0.00 O ATOM 181 CB LYS A 15 3.371 5.747 8.515 1.00 0.00 C ATOM 182 CG LYS A 15 2.472 6.144 9.682 1.00 0.00 C ATOM 183 CD LYS A 15 3.281 6.568 10.901 1.00 0.00 C ATOM 184 CE LYS A 15 4.292 7.652 10.568 1.00 0.00 C ATOM 185 NZ LYS A 15 4.974 8.173 11.783 1.00 0.00 N ATOM 0 H LYS A 15 3.099 6.945 6.369 1.00 0.00 H new ATOM 0 HA LYS A 15 3.123 4.168 7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.111 5.034 8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.916 6.631 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.820 6.962 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.828 5.305 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.605 6.929 11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.801 5.701 11.310 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.036 7.254 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.788 8.472 10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.655 8.910 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.268 8.577 12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.477 7.397 12.259 1.00 0.00 H new ATOM 199 N GLU A 16 0.395 5.928 7.472 1.00 0.00 N ATOM 200 CA GLU A 16 -1.046 5.831 7.608 1.00 0.00 C ATOM 201 C GLU A 16 -1.587 4.819 6.611 1.00 0.00 C ATOM 202 O GLU A 16 -2.349 3.919 6.967 1.00 0.00 O ATOM 203 CB GLU A 16 -1.675 7.203 7.368 1.00 0.00 C ATOM 204 CG GLU A 16 -1.352 8.215 8.454 1.00 0.00 C ATOM 205 CD GLU A 16 -2.138 7.959 9.721 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.381 8.064 9.677 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.528 7.647 10.763 1.00 0.00 O ATOM 0 H GLU A 16 0.735 6.872 7.287 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.297 5.499 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.331 7.589 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.757 7.091 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.285 8.180 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.569 9.219 8.090 1.00 0.00 H new ATOM 214 N PHE A 17 -1.154 4.960 5.366 1.00 0.00 N ATOM 215 CA PHE A 17 -1.561 4.059 4.301 1.00 0.00 C ATOM 216 C PHE A 17 -1.120 2.626 4.593 1.00 0.00 C ATOM 217 O PHE A 17 -1.944 1.716 4.618 1.00 0.00 O ATOM 218 CB PHE A 17 -0.981 4.522 2.961 1.00 0.00 C ATOM 219 CG PHE A 17 -1.395 3.662 1.802 1.00 0.00 C ATOM 220 CD1 PHE A 17 -0.651 2.547 1.448 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.530 3.964 1.068 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.031 1.751 0.388 1.00 0.00 C ATOM 223 CE2 PHE A 17 -2.915 3.171 0.006 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.165 2.063 -0.334 1.00 0.00 C ATOM 0 H PHE A 17 -0.515 5.697 5.069 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.649 4.077 4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.296 5.548 2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.107 4.529 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.237 2.299 2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.120 4.830 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.442 0.885 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.802 3.417 -0.559 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.465 1.441 -1.164 1.00 0.00 H new ATOM 234 N LEU A 18 0.179 2.438 4.833 1.00 0.00 N ATOM 235 CA LEU A 18 0.749 1.103 4.978 1.00 0.00 C ATOM 236 C LEU A 18 0.111 0.330 6.125 1.00 0.00 C ATOM 237 O LEU A 18 -0.287 -0.813 5.944 1.00 0.00 O ATOM 238 CB LEU A 18 2.267 1.175 5.178 1.00 0.00 C ATOM 239 CG LEU A 18 3.061 1.736 3.996 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.534 1.850 4.354 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.886 0.865 2.761 1.00 0.00 C ATOM 0 H LEU A 18 0.854 3.196 4.931 1.00 0.00 H new ATOM 0 HA LEU A 18 0.536 0.567 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.472 1.789 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.635 0.173 5.398 1.00 0.00 H new ATOM 0 HG LEU A 18 2.675 2.730 3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.085 2.250 3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.650 2.517 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.924 0.864 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.460 1.285 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.241 -0.143 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.831 0.828 2.488 1.00 0.00 H new ATOM 253 N ASN A 19 -0.004 0.956 7.293 1.00 0.00 N ATOM 254 CA ASN A 19 -0.510 0.262 8.477 1.00 0.00 C ATOM 255 C ASN A 19 -1.992 -0.074 8.327 1.00 0.00 C ATOM 256 O ASN A 19 -2.423 -1.182 8.649 1.00 0.00 O ATOM 257 CB ASN A 19 -0.295 1.101 9.739 1.00 0.00 C ATOM 258 CG ASN A 19 -0.525 0.298 11.008 1.00 0.00 C ATOM 259 OD1 ASN A 19 -1.651 0.161 11.477 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.548 -0.223 11.587 1.00 0.00 N ATOM 0 H ASN A 19 0.243 1.934 7.446 1.00 0.00 H new ATOM 0 HA ASN A 19 0.051 -0.668 8.573 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.720 1.498 9.741 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.971 1.956 9.724 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.453 -0.758 12.450 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.469 -0.089 11.169 1.00 0.00 H new ATOM 267 N ARG A 20 -2.767 0.891 7.849 1.00 0.00 N ATOM 268 CA ARG A 20 -4.194 0.686 7.606 1.00 0.00 C ATOM 269 C ARG A 20 -4.437 -0.352 6.511 1.00 0.00 C ATOM 270 O ARG A 20 -5.353 -1.161 6.614 1.00 0.00 O ATOM 271 CB ARG A 20 -4.864 2.011 7.252 1.00 0.00 C ATOM 272 CG ARG A 20 -5.162 2.872 8.469 1.00 0.00 C ATOM 273 CD ARG A 20 -5.225 4.345 8.115 1.00 0.00 C ATOM 274 NE ARG A 20 -6.107 4.608 6.981 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.895 5.580 6.097 1.00 0.00 C ATOM 276 NH1 ARG A 20 -4.833 6.365 6.211 1.00 0.00 N ATOM 277 NH2 ARG A 20 -6.737 5.773 5.094 1.00 0.00 N ATOM 0 H ARG A 20 -2.433 1.827 7.620 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.638 0.300 8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.220 2.566 6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.794 1.810 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.110 2.563 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.393 2.712 9.224 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.572 4.909 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.222 4.703 7.882 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.929 4.016 6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.175 6.225 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.673 7.109 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.557 5.174 4.994 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.566 6.521 4.421 1.00 0.00 H new ATOM 291 N PHE A 21 -3.620 -0.329 5.470 1.00 0.00 N ATOM 292 CA PHE A 21 -3.680 -1.351 4.426 1.00 0.00 C ATOM 293 C PHE A 21 -3.354 -2.712 5.022 1.00 0.00 C ATOM 294 O PHE A 21 -4.074 -3.695 4.836 1.00 0.00 O ATOM 295 CB PHE A 21 -2.672 -1.025 3.328 1.00 0.00 C ATOM 296 CG PHE A 21 -2.613 -2.054 2.235 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.670 -2.221 1.354 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.499 -2.865 2.102 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.613 -3.179 0.360 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.438 -3.825 1.114 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.494 -3.984 0.242 1.00 0.00 C ATOM 0 H PHE A 21 -2.906 0.384 5.322 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.684 -1.371 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.924 -0.059 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.682 -0.925 3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.546 -1.596 1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.667 -2.744 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.440 -3.299 -0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.563 -4.452 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.448 -4.736 -0.532 1.00 0.00 H new ATOM 311 N TYR A 22 -2.248 -2.720 5.738 1.00 0.00 N ATOM 312 CA TYR A 22 -1.746 -3.874 6.462 1.00 0.00 C ATOM 313 C TYR A 22 -2.862 -4.534 7.276 1.00 0.00 C ATOM 314 O TYR A 22 -3.147 -5.724 7.118 1.00 0.00 O ATOM 315 CB TYR A 22 -0.638 -3.348 7.370 1.00 0.00 C ATOM 316 CG TYR A 22 0.305 -4.365 7.966 1.00 0.00 C ATOM 317 CD1 TYR A 22 0.028 -4.994 9.170 1.00 0.00 C ATOM 318 CD2 TYR A 22 1.512 -4.649 7.340 1.00 0.00 C ATOM 319 CE1 TYR A 22 0.923 -5.886 9.729 1.00 0.00 C ATOM 320 CE2 TYR A 22 2.416 -5.529 7.897 1.00 0.00 C ATOM 321 CZ TYR A 22 2.117 -6.145 9.089 1.00 0.00 C ATOM 322 OH TYR A 22 3.027 -7.008 9.654 1.00 0.00 O ATOM 0 H TYR A 22 -1.653 -1.897 5.836 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.369 -4.639 5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.046 -2.631 6.801 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.104 -2.799 8.188 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.901 -4.784 9.679 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.747 -4.172 6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.689 -6.378 10.662 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.353 -5.733 7.400 1.00 0.00 H new ATOM 0 HH TYR A 22 2.572 -7.584 10.303 1.00 0.00 H new ATOM 332 N LYS A 23 -3.517 -3.745 8.126 1.00 0.00 N ATOM 333 CA LYS A 23 -4.589 -4.262 8.966 1.00 0.00 C ATOM 334 C LYS A 23 -5.810 -4.638 8.133 1.00 0.00 C ATOM 335 O LYS A 23 -6.450 -5.639 8.405 1.00 0.00 O ATOM 336 CB LYS A 23 -4.968 -3.261 10.083 1.00 0.00 C ATOM 337 CG LYS A 23 -5.487 -1.906 9.609 1.00 0.00 C ATOM 338 CD LYS A 23 -6.969 -1.947 9.245 1.00 0.00 C ATOM 339 CE LYS A 23 -7.858 -2.079 10.472 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.932 -0.816 11.254 1.00 0.00 N ATOM 0 H LYS A 23 -3.324 -2.751 8.249 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.218 -5.167 9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.729 -3.720 10.714 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.092 -3.095 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.328 -1.165 10.392 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.911 -1.582 8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.234 -1.039 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.153 -2.785 8.573 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.861 -2.371 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.477 -2.877 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.614 -0.928 12.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.994 -0.595 11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.240 -0.041 10.633 1.00 0.00 H new ATOM 354 N SER A 24 -6.106 -3.849 7.106 1.00 0.00 N ATOM 355 CA SER A 24 -7.307 -4.046 6.299 1.00 0.00 C ATOM 356 C SER A 24 -7.310 -5.430 5.665 1.00 0.00 C ATOM 357 O SER A 24 -8.356 -6.054 5.494 1.00 0.00 O ATOM 358 CB SER A 24 -7.391 -2.971 5.210 1.00 0.00 C ATOM 359 OG SER A 24 -8.607 -3.059 4.490 1.00 0.00 O ATOM 0 H SER A 24 -5.528 -3.062 6.811 1.00 0.00 H new ATOM 0 HA SER A 24 -8.176 -3.963 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.306 -1.984 5.664 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.551 -3.080 4.524 1.00 0.00 H new ATOM 0 HG SER A 24 -8.625 -2.370 3.793 1.00 0.00 H new ATOM 365 N LEU A 25 -6.127 -5.907 5.340 1.00 0.00 N ATOM 366 CA LEU A 25 -5.976 -7.199 4.695 1.00 0.00 C ATOM 367 C LEU A 25 -5.991 -8.330 5.703 1.00 0.00 C ATOM 368 O LEU A 25 -6.695 -9.318 5.517 1.00 0.00 O ATOM 369 CB LEU A 25 -4.699 -7.219 3.870 1.00 0.00 C ATOM 370 CG LEU A 25 -4.917 -6.885 2.400 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.915 -5.742 2.256 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.593 -6.552 1.743 1.00 0.00 C ATOM 0 H LEU A 25 -5.249 -5.417 5.512 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.827 -7.352 4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.991 -6.507 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.243 -8.206 3.946 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.337 -7.754 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.059 -5.516 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.868 -6.033 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.533 -4.858 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.758 -6.314 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.144 -5.694 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.923 -7.408 1.821 1.00 0.00 H new ATOM 384 N ILE A 26 -5.238 -8.181 6.780 1.00 0.00 N ATOM 385 CA ILE A 26 -5.192 -9.214 7.803 1.00 0.00 C ATOM 386 C ILE A 26 -6.543 -9.318 8.510 1.00 0.00 C ATOM 387 O ILE A 26 -7.011 -10.411 8.834 1.00 0.00 O ATOM 388 CB ILE A 26 -4.089 -8.935 8.852 1.00 0.00 C ATOM 389 CG1 ILE A 26 -2.756 -8.614 8.168 1.00 0.00 C ATOM 390 CG2 ILE A 26 -3.932 -10.121 9.795 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.290 -9.677 7.196 1.00 0.00 C ATOM 0 H ILE A 26 -4.656 -7.365 6.968 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.960 -10.154 7.303 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.391 -8.067 9.438 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.851 -7.667 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.991 -8.475 8.932 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.152 -9.905 10.525 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.874 -10.301 10.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.658 -11.007 9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.340 -9.375 6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.160 -10.622 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.033 -9.801 6.408 1.00 0.00 H new ATOM 403 N ASP A 27 -7.173 -8.169 8.721 1.00 0.00 N ATOM 404 CA ASP A 27 -8.454 -8.097 9.416 1.00 0.00 C ATOM 405 C ASP A 27 -9.585 -8.636 8.553 1.00 0.00 C ATOM 406 O ASP A 27 -10.407 -9.423 9.021 1.00 0.00 O ATOM 407 CB ASP A 27 -8.759 -6.651 9.819 1.00 0.00 C ATOM 408 CG ASP A 27 -10.071 -6.508 10.561 1.00 0.00 C ATOM 409 OD1 ASP A 27 -10.089 -6.738 11.787 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.085 -6.148 9.926 1.00 0.00 O ATOM 0 H ASP A 27 -6.813 -7.264 8.417 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.380 -8.716 10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.950 -6.276 10.446 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.784 -6.028 8.925 1.00 0.00 H new ATOM 415 N ARG A 28 -9.628 -8.227 7.288 1.00 0.00 N ATOM 416 CA ARG A 28 -10.704 -8.638 6.414 1.00 0.00 C ATOM 417 C ARG A 28 -10.434 -10.036 5.839 1.00 0.00 C ATOM 418 O ARG A 28 -11.334 -10.688 5.303 1.00 0.00 O ATOM 419 CB ARG A 28 -10.945 -7.572 5.339 1.00 0.00 C ATOM 420 CG ARG A 28 -10.964 -8.091 3.925 1.00 0.00 C ATOM 421 CD ARG A 28 -11.360 -7.001 2.940 1.00 0.00 C ATOM 422 NE ARG A 28 -10.458 -5.848 2.996 1.00 0.00 N ATOM 423 CZ ARG A 28 -10.136 -5.108 1.934 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.622 -5.415 0.740 1.00 0.00 N ATOM 425 NH2 ARG A 28 -9.339 -4.055 2.065 1.00 0.00 N ATOM 0 H ARG A 28 -8.934 -7.617 6.855 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.629 -8.722 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.896 -7.080 5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.168 -6.812 5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.979 -8.479 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.664 -8.923 3.850 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.361 -7.410 1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.378 -6.674 3.153 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.053 -5.597 3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.243 -6.217 0.633 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.376 -4.849 -0.072 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.968 -3.807 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.097 -3.494 1.248 1.00 0.00 H new ATOM 439 N GLY A 29 -9.194 -10.498 5.976 1.00 0.00 N ATOM 440 CA GLY A 29 -8.857 -11.868 5.613 1.00 0.00 C ATOM 441 C GLY A 29 -8.272 -11.986 4.222 1.00 0.00 C ATOM 442 O GLY A 29 -7.948 -13.080 3.765 1.00 0.00 O ATOM 0 H GLY A 29 -8.413 -9.948 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.144 -12.264 6.336 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.753 -12.486 5.678 1.00 0.00 H new ATOM 446 N VAL A 30 -8.117 -10.855 3.560 1.00 0.00 N ATOM 447 CA VAL A 30 -7.640 -10.821 2.191 1.00 0.00 C ATOM 448 C VAL A 30 -6.111 -10.768 2.137 1.00 0.00 C ATOM 449 O VAL A 30 -5.506 -9.717 2.323 1.00 0.00 O ATOM 450 CB VAL A 30 -8.246 -9.611 1.440 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.176 -8.358 2.289 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.531 -9.373 0.132 1.00 0.00 C ATOM 0 H VAL A 30 -8.318 -9.936 3.955 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.962 -11.739 1.700 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.291 -9.844 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.608 -7.522 1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.734 -8.513 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.135 -8.137 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.976 -8.517 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.477 -9.172 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.623 -10.257 -0.499 1.00 0.00 H new ATOM 462 N ASN A 31 -5.480 -11.910 1.916 1.00 0.00 N ATOM 463 CA ASN A 31 -4.037 -11.942 1.762 1.00 0.00 C ATOM 464 C ASN A 31 -3.571 -13.277 1.175 1.00 0.00 C ATOM 465 O ASN A 31 -4.395 -14.130 0.838 1.00 0.00 O ATOM 466 CB ASN A 31 -3.393 -11.672 3.117 1.00 0.00 C ATOM 467 CG ASN A 31 -1.943 -11.250 3.004 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.050 -12.075 3.112 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.710 -9.969 2.746 1.00 0.00 N ATOM 0 H ASN A 31 -5.939 -12.817 1.840 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.730 -11.168 1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.954 -10.893 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.458 -12.570 3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.752 -9.638 2.629 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.489 -9.315 2.664 1.00 0.00 H new ATOM 476 N PHE A 32 -2.249 -13.439 1.049 1.00 0.00 N ATOM 477 CA PHE A 32 -1.637 -14.628 0.453 1.00 0.00 C ATOM 478 C PHE A 32 -2.038 -14.791 -1.007 1.00 0.00 C ATOM 479 O PHE A 32 -2.266 -15.903 -1.489 1.00 0.00 O ATOM 480 CB PHE A 32 -1.970 -15.885 1.259 1.00 0.00 C ATOM 481 CG PHE A 32 -1.136 -16.034 2.497 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.119 -16.618 2.432 1.00 0.00 C ATOM 483 CD2 PHE A 32 -1.601 -15.588 3.724 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.894 -16.755 3.568 1.00 0.00 C ATOM 485 CE2 PHE A 32 -0.830 -15.722 4.861 1.00 0.00 C ATOM 486 CZ PHE A 32 0.419 -16.307 4.783 1.00 0.00 C ATOM 0 H PHE A 32 -1.571 -12.743 1.360 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.556 -14.488 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.023 -15.860 1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.829 -16.762 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.496 -16.970 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.577 -15.131 3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.870 -17.212 3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.203 -15.370 5.811 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.023 -16.413 5.672 1.00 0.00 H new ATOM 496 N SER A 33 -2.116 -13.668 -1.704 1.00 0.00 N ATOM 497 CA SER A 33 -2.403 -13.642 -3.132 1.00 0.00 C ATOM 498 C SER A 33 -1.890 -12.328 -3.716 1.00 0.00 C ATOM 499 O SER A 33 -2.491 -11.279 -3.513 1.00 0.00 O ATOM 500 CB SER A 33 -3.910 -13.780 -3.382 1.00 0.00 C ATOM 501 OG SER A 33 -4.412 -15.003 -2.865 1.00 0.00 O ATOM 0 H SER A 33 -1.981 -12.744 -1.294 1.00 0.00 H new ATOM 0 HA SER A 33 -1.902 -14.480 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.435 -12.945 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.109 -13.727 -4.452 1.00 0.00 H new ATOM 0 HG SER A 33 -3.680 -15.511 -2.457 1.00 0.00 H new ATOM 507 N LEU A 34 -0.769 -12.402 -4.435 1.00 0.00 N ATOM 508 CA LEU A 34 -0.068 -11.208 -4.920 1.00 0.00 C ATOM 509 C LEU A 34 -0.946 -10.341 -5.816 1.00 0.00 C ATOM 510 O LEU A 34 -0.951 -9.118 -5.680 1.00 0.00 O ATOM 511 CB LEU A 34 1.218 -11.593 -5.661 1.00 0.00 C ATOM 512 CG LEU A 34 2.444 -11.852 -4.777 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.779 -10.614 -3.965 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.224 -13.043 -3.858 1.00 0.00 C ATOM 0 H LEU A 34 -0.323 -13.281 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 34 0.187 -10.618 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.022 -12.489 -6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.462 -10.797 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 34 3.284 -12.086 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.651 -10.812 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.995 -9.785 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.932 -10.355 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.112 -13.199 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.367 -12.851 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.035 -13.934 -4.456 1.00 0.00 H new ATOM 526 N ASP A 35 -1.684 -10.967 -6.728 1.00 0.00 N ATOM 527 CA ASP A 35 -2.609 -10.231 -7.592 1.00 0.00 C ATOM 528 C ASP A 35 -3.663 -9.514 -6.764 1.00 0.00 C ATOM 529 O ASP A 35 -4.048 -8.383 -7.061 1.00 0.00 O ATOM 530 CB ASP A 35 -3.299 -11.166 -8.589 1.00 0.00 C ATOM 531 CG ASP A 35 -2.489 -11.384 -9.847 1.00 0.00 C ATOM 532 OD1 ASP A 35 -2.507 -10.501 -10.728 1.00 0.00 O ATOM 533 OD2 ASP A 35 -1.822 -12.432 -9.963 1.00 0.00 O ATOM 0 H ASP A 35 -1.662 -11.974 -6.889 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.023 -9.497 -8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.483 -12.128 -8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.271 -10.751 -8.856 1.00 0.00 H new ATOM 538 N THR A 36 -4.104 -10.177 -5.713 1.00 0.00 N ATOM 539 CA THR A 36 -5.139 -9.646 -4.849 1.00 0.00 C ATOM 540 C THR A 36 -4.607 -8.523 -3.975 1.00 0.00 C ATOM 541 O THR A 36 -5.277 -7.510 -3.786 1.00 0.00 O ATOM 542 CB THR A 36 -5.726 -10.769 -3.974 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.183 -11.837 -4.812 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.870 -10.267 -3.110 1.00 0.00 C ATOM 0 H THR A 36 -3.757 -11.095 -5.435 1.00 0.00 H new ATOM 0 HA THR A 36 -5.927 -9.235 -5.480 1.00 0.00 H new ATOM 0 HB THR A 36 -4.940 -11.126 -3.309 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.555 -12.553 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.258 -11.088 -2.507 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.510 -9.474 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.664 -9.878 -3.748 1.00 0.00 H new ATOM 552 N ILE A 37 -3.396 -8.691 -3.458 1.00 0.00 N ATOM 553 CA ILE A 37 -2.766 -7.641 -2.674 1.00 0.00 C ATOM 554 C ILE A 37 -2.652 -6.384 -3.522 1.00 0.00 C ATOM 555 O ILE A 37 -2.858 -5.272 -3.042 1.00 0.00 O ATOM 556 CB ILE A 37 -1.361 -8.050 -2.170 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.424 -9.382 -1.420 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.776 -6.968 -1.271 1.00 0.00 C ATOM 559 CD1 ILE A 37 -2.443 -9.407 -0.301 1.00 0.00 C ATOM 0 H ILE A 37 -2.836 -9.537 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.390 -7.460 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.712 -8.169 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.657 -10.176 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.440 -9.602 -1.007 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.212 -7.275 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.692 -6.036 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.429 -6.817 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.428 -10.384 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.199 -8.636 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.436 -9.219 -0.709 1.00 0.00 H new ATOM 571 N GLU A 38 -2.363 -6.584 -4.802 1.00 0.00 N ATOM 572 CA GLU A 38 -2.235 -5.482 -5.734 1.00 0.00 C ATOM 573 C GLU A 38 -3.581 -4.824 -6.004 1.00 0.00 C ATOM 574 O GLU A 38 -3.691 -3.600 -6.017 1.00 0.00 O ATOM 575 CB GLU A 38 -1.619 -5.955 -7.049 1.00 0.00 C ATOM 576 CG GLU A 38 -1.386 -4.830 -8.042 1.00 0.00 C ATOM 577 CD GLU A 38 -0.981 -5.333 -9.406 1.00 0.00 C ATOM 578 OE1 GLU A 38 0.203 -5.665 -9.597 1.00 0.00 O ATOM 579 OE2 GLU A 38 -1.848 -5.395 -10.302 1.00 0.00 O ATOM 0 H GLU A 38 -2.213 -7.505 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.576 -4.744 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.670 -6.449 -6.841 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.273 -6.700 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.296 -4.237 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.610 -4.167 -7.659 1.00 0.00 H new ATOM 586 N LYS A 39 -4.607 -5.632 -6.213 1.00 0.00 N ATOM 587 CA LYS A 39 -5.916 -5.101 -6.555 1.00 0.00 C ATOM 588 C LYS A 39 -6.634 -4.534 -5.340 1.00 0.00 C ATOM 589 O LYS A 39 -7.571 -3.748 -5.478 1.00 0.00 O ATOM 590 CB LYS A 39 -6.764 -6.156 -7.266 1.00 0.00 C ATOM 591 CG LYS A 39 -6.264 -6.440 -8.671 1.00 0.00 C ATOM 592 CD LYS A 39 -5.897 -5.138 -9.367 1.00 0.00 C ATOM 593 CE LYS A 39 -5.384 -5.347 -10.777 1.00 0.00 C ATOM 594 NZ LYS A 39 -4.262 -6.321 -10.847 1.00 0.00 N ATOM 0 H LYS A 39 -4.560 -6.649 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.763 -4.272 -7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.756 -7.079 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.799 -5.818 -7.312 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.396 -7.097 -8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.033 -6.962 -9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.772 -4.489 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.136 -4.621 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.202 -5.697 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.054 -4.391 -11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.964 -6.436 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.462 -5.970 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.575 -7.239 -10.471 1.00 0.00 H new ATOM 608 N GLU A 40 -6.202 -4.922 -4.154 1.00 0.00 N ATOM 609 CA GLU A 40 -6.701 -4.293 -2.943 1.00 0.00 C ATOM 610 C GLU A 40 -5.900 -3.041 -2.643 1.00 0.00 C ATOM 611 O GLU A 40 -6.412 -2.108 -2.035 1.00 0.00 O ATOM 612 CB GLU A 40 -6.682 -5.251 -1.755 1.00 0.00 C ATOM 613 CG GLU A 40 -7.743 -6.335 -1.847 1.00 0.00 C ATOM 614 CD GLU A 40 -9.120 -5.778 -2.166 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.509 -4.745 -1.578 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.818 -6.364 -3.022 1.00 0.00 O ATOM 0 H GLU A 40 -5.515 -5.661 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.742 -4.016 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.699 -5.718 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.829 -4.684 -0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.458 -7.053 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.785 -6.879 -0.903 1.00 0.00 H new ATOM 623 N LEU A 41 -4.645 -3.022 -3.076 1.00 0.00 N ATOM 624 CA LEU A 41 -3.864 -1.797 -3.065 1.00 0.00 C ATOM 625 C LEU A 41 -4.556 -0.754 -3.924 1.00 0.00 C ATOM 626 O LEU A 41 -4.889 0.326 -3.448 1.00 0.00 O ATOM 627 CB LEU A 41 -2.442 -2.048 -3.576 1.00 0.00 C ATOM 628 CG LEU A 41 -1.430 -2.470 -2.514 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.151 -2.961 -3.165 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.129 -1.307 -1.581 1.00 0.00 C ATOM 0 H LEU A 41 -4.151 -3.838 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.790 -1.435 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.481 -2.821 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.081 -1.139 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.860 -3.286 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.559 -3.258 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.373 -3.817 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.281 -2.162 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.406 -1.622 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.717 -0.477 -2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.048 -0.987 -1.090 1.00 0.00 H new ATOM 642 N ILE A 42 -4.813 -1.110 -5.181 1.00 0.00 N ATOM 643 CA ILE A 42 -5.534 -0.240 -6.098 1.00 0.00 C ATOM 644 C ILE A 42 -6.869 0.203 -5.500 1.00 0.00 C ATOM 645 O ILE A 42 -7.232 1.381 -5.560 1.00 0.00 O ATOM 646 CB ILE A 42 -5.765 -0.951 -7.449 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.428 -1.130 -8.177 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.758 -0.184 -8.307 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.541 -1.839 -9.509 1.00 0.00 C ATOM 0 H ILE A 42 -4.529 -2.002 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.925 0.648 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.193 -1.935 -7.258 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.979 -0.150 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.749 -1.691 -7.535 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.902 -0.707 -9.252 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.711 -0.112 -7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.374 0.817 -8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.552 -1.926 -9.960 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.959 -2.834 -9.357 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.193 -1.268 -10.171 1.00 0.00 H new ATOM 661 N SER A 43 -7.580 -0.740 -4.897 1.00 0.00 N ATOM 662 CA SER A 43 -8.858 -0.451 -4.272 1.00 0.00 C ATOM 663 C SER A 43 -8.686 0.518 -3.100 1.00 0.00 C ATOM 664 O SER A 43 -9.394 1.517 -3.005 1.00 0.00 O ATOM 665 CB SER A 43 -9.515 -1.752 -3.799 1.00 0.00 C ATOM 666 OG SER A 43 -10.800 -1.517 -3.247 1.00 0.00 O ATOM 0 H SER A 43 -7.289 -1.715 -4.829 1.00 0.00 H new ATOM 0 HA SER A 43 -9.504 0.024 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.599 -2.443 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.880 -2.231 -3.054 1.00 0.00 H new ATOM 0 HG SER A 43 -11.192 -2.367 -2.957 1.00 0.00 H new ATOM 672 N PHE A 44 -7.724 0.234 -2.229 1.00 0.00 N ATOM 673 CA PHE A 44 -7.512 1.032 -1.025 1.00 0.00 C ATOM 674 C PHE A 44 -6.995 2.421 -1.386 1.00 0.00 C ATOM 675 O PHE A 44 -7.306 3.404 -0.715 1.00 0.00 O ATOM 676 CB PHE A 44 -6.529 0.324 -0.084 1.00 0.00 C ATOM 677 CG PHE A 44 -6.510 0.879 1.314 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.488 0.518 2.227 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.518 1.758 1.716 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.475 1.022 3.514 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.499 2.265 3.001 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.480 1.897 3.900 1.00 0.00 C ATOM 0 H PHE A 44 -7.076 -0.546 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.467 1.144 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.784 -0.735 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.526 0.393 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.270 -0.165 1.929 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.749 2.051 1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.242 0.732 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.718 2.948 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.469 2.294 4.905 1.00 0.00 H new ATOM 692 N CYS A 45 -6.216 2.499 -2.456 1.00 0.00 N ATOM 693 CA CYS A 45 -5.724 3.776 -2.958 1.00 0.00 C ATOM 694 C CYS A 45 -6.871 4.633 -3.478 1.00 0.00 C ATOM 695 O CYS A 45 -6.747 5.852 -3.597 1.00 0.00 O ATOM 696 CB CYS A 45 -4.697 3.550 -4.063 1.00 0.00 C ATOM 697 SG CYS A 45 -3.181 2.723 -3.495 1.00 0.00 S ATOM 0 H CYS A 45 -5.910 1.690 -2.996 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.247 4.304 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.152 2.952 -4.853 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.433 4.512 -4.503 1.00 0.00 H new ATOM 702 N LEU A 46 -7.970 3.983 -3.831 1.00 0.00 N ATOM 703 CA LEU A 46 -9.191 4.685 -4.183 1.00 0.00 C ATOM 704 C LEU A 46 -10.023 4.952 -2.930 1.00 0.00 C ATOM 705 O LEU A 46 -10.577 6.039 -2.755 1.00 0.00 O ATOM 706 CB LEU A 46 -9.990 3.877 -5.203 1.00 0.00 C ATOM 707 CG LEU A 46 -11.304 4.515 -5.662 1.00 0.00 C ATOM 708 CD1 LEU A 46 -11.043 5.845 -6.354 1.00 0.00 C ATOM 709 CD2 LEU A 46 -12.056 3.572 -6.585 1.00 0.00 C ATOM 0 H LEU A 46 -8.039 2.967 -3.881 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.932 5.643 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.363 3.707 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.211 2.899 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.920 4.704 -4.783 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.990 6.281 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.545 6.524 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.407 5.684 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.988 4.040 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.443 3.353 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.277 2.645 -6.056 1.00 0.00 H new ATOM 721 N ASP A 47 -10.087 3.953 -2.051 1.00 0.00 N ATOM 722 CA ASP A 47 -10.836 4.054 -0.796 1.00 0.00 C ATOM 723 C ASP A 47 -10.053 4.832 0.257 1.00 0.00 C ATOM 724 O ASP A 47 -9.919 4.399 1.401 1.00 0.00 O ATOM 725 CB ASP A 47 -11.183 2.663 -0.252 1.00 0.00 C ATOM 726 CG ASP A 47 -12.344 2.020 -0.979 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.480 2.526 -0.857 1.00 0.00 O ATOM 728 OD2 ASP A 47 -12.141 0.995 -1.659 1.00 0.00 O ATOM 0 H ASP A 47 -9.624 3.054 -2.186 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.758 4.593 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -10.308 2.018 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.424 2.742 0.808 1.00 0.00 H new ATOM 733 N THR A 48 -9.540 5.976 -0.144 1.00 0.00 N ATOM 734 CA THR A 48 -8.808 6.860 0.744 1.00 0.00 C ATOM 735 C THR A 48 -9.145 8.306 0.413 1.00 0.00 C ATOM 736 O THR A 48 -10.033 8.562 -0.402 1.00 0.00 O ATOM 737 CB THR A 48 -7.290 6.635 0.630 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.969 6.123 -0.668 1.00 0.00 O ATOM 739 CG2 THR A 48 -6.798 5.669 1.698 1.00 0.00 C ATOM 0 H THR A 48 -9.618 6.322 -1.100 1.00 0.00 H new ATOM 0 HA THR A 48 -9.104 6.638 1.769 1.00 0.00 H new ATOM 0 HB THR A 48 -6.793 7.594 0.778 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.075 5.149 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.722 5.528 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.017 6.076 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.302 4.710 1.581 1.00 0.00 H new ATOM 747 N LYS A 49 -8.452 9.247 1.028 1.00 0.00 N ATOM 748 CA LYS A 49 -8.721 10.654 0.788 1.00 0.00 C ATOM 749 C LYS A 49 -7.748 11.217 -0.234 1.00 0.00 C ATOM 750 O LYS A 49 -6.804 10.539 -0.627 1.00 0.00 O ATOM 751 CB LYS A 49 -8.647 11.433 2.099 1.00 0.00 C ATOM 752 CG LYS A 49 -9.509 10.838 3.202 1.00 0.00 C ATOM 753 CD LYS A 49 -9.328 11.571 4.521 1.00 0.00 C ATOM 754 CE LYS A 49 -7.892 11.501 5.021 1.00 0.00 C ATOM 755 NZ LYS A 49 -7.437 10.103 5.244 1.00 0.00 N ATOM 0 H LYS A 49 -7.702 9.064 1.695 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.728 10.755 0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.611 11.467 2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.958 12.462 1.920 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.557 10.878 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.255 9.786 3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.619 12.614 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.994 11.140 5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.234 11.983 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.807 12.061 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.515 10.111 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.131 9.602 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.346 9.617 4.329 1.00 0.00 H new ATOM 769 N GLY A 50 -7.977 12.463 -0.639 1.00 0.00 N ATOM 770 CA GLY A 50 -7.266 13.041 -1.772 1.00 0.00 C ATOM 771 C GLY A 50 -5.757 12.929 -1.676 1.00 0.00 C ATOM 772 O GLY A 50 -5.095 12.589 -2.660 1.00 0.00 O ATOM 0 H GLY A 50 -8.650 13.091 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.599 12.549 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.537 14.093 -1.859 1.00 0.00 H new ATOM 776 N LYS A 51 -5.211 13.197 -0.496 1.00 0.00 N ATOM 777 CA LYS A 51 -3.770 13.122 -0.286 1.00 0.00 C ATOM 778 C LYS A 51 -3.275 11.705 -0.545 1.00 0.00 C ATOM 779 O LYS A 51 -2.255 11.498 -1.196 1.00 0.00 O ATOM 780 CB LYS A 51 -3.422 13.536 1.148 1.00 0.00 C ATOM 781 CG LYS A 51 -1.939 13.779 1.374 1.00 0.00 C ATOM 782 CD LYS A 51 -1.462 15.025 0.647 1.00 0.00 C ATOM 783 CE LYS A 51 -2.123 16.277 1.198 1.00 0.00 C ATOM 784 NZ LYS A 51 -1.699 17.503 0.475 1.00 0.00 N ATOM 0 H LYS A 51 -5.744 13.468 0.330 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.281 13.804 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.971 14.444 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.762 12.759 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.745 13.883 2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.371 12.915 1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.380 15.111 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.682 14.934 -0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.206 16.174 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.879 16.379 2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.338 18.287 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.728 17.751 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.734 17.331 -0.550 1.00 0.00 H new ATOM 798 N GLU A 52 -4.038 10.738 -0.060 1.00 0.00 N ATOM 799 CA GLU A 52 -3.672 9.330 -0.148 1.00 0.00 C ATOM 800 C GLU A 52 -3.951 8.785 -1.545 1.00 0.00 C ATOM 801 O GLU A 52 -3.185 7.975 -2.075 1.00 0.00 O ATOM 802 CB GLU A 52 -4.459 8.543 0.891 1.00 0.00 C ATOM 803 CG GLU A 52 -4.374 9.141 2.282 1.00 0.00 C ATOM 804 CD GLU A 52 -5.458 8.623 3.199 1.00 0.00 C ATOM 805 OE1 GLU A 52 -6.638 8.968 2.985 1.00 0.00 O ATOM 806 OE2 GLU A 52 -5.142 7.880 4.140 1.00 0.00 O ATOM 0 H GLU A 52 -4.929 10.906 0.406 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.604 9.227 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.504 8.495 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.088 7.518 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.399 8.915 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.448 10.226 2.213 1.00 0.00 H new ATOM 813 N ASN A 53 -5.052 9.240 -2.140 1.00 0.00 N ATOM 814 CA ASN A 53 -5.404 8.858 -3.502 1.00 0.00 C ATOM 815 C ASN A 53 -4.267 9.239 -4.443 1.00 0.00 C ATOM 816 O ASN A 53 -3.910 8.483 -5.347 1.00 0.00 O ATOM 817 CB ASN A 53 -6.700 9.544 -3.973 1.00 0.00 C ATOM 818 CG ASN A 53 -7.918 9.257 -3.115 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.813 10.095 -3.007 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.986 8.079 -2.526 1.00 0.00 N ATOM 0 H ASN A 53 -5.716 9.875 -1.697 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.568 7.781 -3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.536 10.621 -3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.910 9.230 -4.995 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.799 7.838 -1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.225 7.409 -2.637 1.00 0.00 H new ATOM 827 N ARG A 54 -3.693 10.414 -4.206 1.00 0.00 N ATOM 828 CA ARG A 54 -2.571 10.900 -4.996 1.00 0.00 C ATOM 829 C ARG A 54 -1.267 10.234 -4.548 1.00 0.00 C ATOM 830 O ARG A 54 -0.401 9.930 -5.369 1.00 0.00 O ATOM 831 CB ARG A 54 -2.461 12.422 -4.861 1.00 0.00 C ATOM 832 CG ARG A 54 -1.371 13.045 -5.720 1.00 0.00 C ATOM 833 CD ARG A 54 -1.641 12.848 -7.203 1.00 0.00 C ATOM 834 NE ARG A 54 -0.608 13.472 -8.025 1.00 0.00 N ATOM 835 CZ ARG A 54 -0.684 13.626 -9.344 1.00 0.00 C ATOM 836 NH1 ARG A 54 -1.740 13.181 -10.019 1.00 0.00 N ATOM 837 NH2 ARG A 54 0.303 14.230 -9.988 1.00 0.00 N ATOM 0 H ARG A 54 -3.991 11.051 -3.467 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.744 10.646 -6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.419 12.870 -5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.272 12.671 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.300 14.111 -5.502 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.408 12.603 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.690 11.782 -7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.613 13.271 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 54 0.230 13.814 -7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.502 12.716 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.788 13.304 -11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.114 14.573 -9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.253 14.352 -10.999 1.00 0.00 H new ATOM 851 N LEU A 55 -1.151 10.001 -3.243 1.00 0.00 N ATOM 852 CA LEU A 55 0.022 9.352 -2.654 1.00 0.00 C ATOM 853 C LEU A 55 0.323 8.020 -3.329 1.00 0.00 C ATOM 854 O LEU A 55 1.484 7.641 -3.496 1.00 0.00 O ATOM 855 CB LEU A 55 -0.210 9.127 -1.154 1.00 0.00 C ATOM 856 CG LEU A 55 0.835 8.267 -0.441 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.172 8.983 -0.366 1.00 0.00 C ATOM 858 CD2 LEU A 55 0.344 7.893 0.946 1.00 0.00 C ATOM 0 H LEU A 55 -1.866 10.256 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 55 0.879 10.008 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.250 10.099 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.187 8.662 -1.022 1.00 0.00 H new ATOM 0 HG LEU A 55 0.981 7.354 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.896 8.349 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.527 9.198 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.054 9.917 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.095 7.281 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.170 8.799 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.586 7.330 0.863 1.00 0.00 H new ATOM 870 N CYS A 56 -0.723 7.318 -3.739 1.00 0.00 N ATOM 871 CA CYS A 56 -0.563 5.990 -4.307 1.00 0.00 C ATOM 872 C CYS A 56 0.138 6.027 -5.662 1.00 0.00 C ATOM 873 O CYS A 56 0.608 5.001 -6.141 1.00 0.00 O ATOM 874 CB CYS A 56 -1.906 5.287 -4.448 1.00 0.00 C ATOM 875 SG CYS A 56 -1.745 3.498 -4.690 1.00 0.00 S ATOM 0 H CYS A 56 -1.688 7.645 -3.689 1.00 0.00 H new ATOM 0 HA CYS A 56 0.064 5.430 -3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.504 5.475 -3.556 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.448 5.715 -5.292 1.00 0.00 H new ATOM 880 N TYR A 57 0.220 7.200 -6.278 1.00 0.00 N ATOM 881 CA TYR A 57 0.932 7.327 -7.544 1.00 0.00 C ATOM 882 C TYR A 57 2.432 7.278 -7.303 1.00 0.00 C ATOM 883 O TYR A 57 3.216 6.986 -8.207 1.00 0.00 O ATOM 884 CB TYR A 57 0.541 8.616 -8.266 1.00 0.00 C ATOM 885 CG TYR A 57 -0.852 8.571 -8.844 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.954 8.916 -8.076 1.00 0.00 C ATOM 887 CD2 TYR A 57 -1.064 8.175 -10.159 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.228 8.869 -8.599 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.336 8.126 -10.692 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.416 8.474 -9.907 1.00 0.00 C ATOM 891 OH TYR A 57 -4.690 8.434 -10.429 1.00 0.00 O ATOM 0 H TYR A 57 -0.191 8.065 -5.928 1.00 0.00 H new ATOM 0 HA TYR A 57 0.652 6.491 -8.184 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.612 9.451 -7.570 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.255 8.807 -9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.811 9.227 -7.051 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.219 7.901 -10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.076 9.140 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.485 7.817 -11.716 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.652 8.137 -11.362 1.00 0.00 H new ATOM 901 N TYR A 58 2.829 7.569 -6.076 1.00 0.00 N ATOM 902 CA TYR A 58 4.217 7.442 -5.683 1.00 0.00 C ATOM 903 C TYR A 58 4.503 6.015 -5.234 1.00 0.00 C ATOM 904 O TYR A 58 5.589 5.489 -5.467 1.00 0.00 O ATOM 905 CB TYR A 58 4.558 8.446 -4.583 1.00 0.00 C ATOM 906 CG TYR A 58 4.428 9.882 -5.031 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.477 10.519 -5.672 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.255 10.594 -4.826 1.00 0.00 C ATOM 909 CE1 TYR A 58 5.366 11.826 -6.099 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.135 11.904 -5.248 1.00 0.00 C ATOM 911 CZ TYR A 58 4.193 12.515 -5.884 1.00 0.00 C ATOM 912 OH TYR A 58 4.078 13.820 -6.309 1.00 0.00 O ATOM 0 H TYR A 58 2.207 7.895 -5.336 1.00 0.00 H new ATOM 0 HA TYR A 58 4.850 7.664 -6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.902 8.277 -3.729 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.578 8.269 -4.241 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.399 9.983 -5.841 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.423 10.117 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 58 6.194 12.306 -6.599 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.216 12.446 -5.080 1.00 0.00 H new ATOM 0 HH TYR A 58 4.928 14.286 -6.168 1.00 0.00 H new ATOM 922 N LEU A 59 3.509 5.392 -4.604 1.00 0.00 N ATOM 923 CA LEU A 59 3.613 3.996 -4.187 1.00 0.00 C ATOM 924 C LEU A 59 3.529 3.065 -5.402 1.00 0.00 C ATOM 925 O LEU A 59 4.189 2.030 -5.449 1.00 0.00 O ATOM 926 CB LEU A 59 2.513 3.660 -3.169 1.00 0.00 C ATOM 927 CG LEU A 59 2.640 4.370 -1.812 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.384 4.169 -0.978 1.00 0.00 C ATOM 929 CD2 LEU A 59 3.854 3.860 -1.049 1.00 0.00 C ATOM 0 H LEU A 59 2.620 5.834 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 59 4.581 3.847 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.547 3.914 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.513 2.583 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 59 2.767 5.436 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.496 4.680 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.525 4.578 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.229 3.104 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.925 4.376 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.752 2.788 -0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.756 4.050 -1.631 1.00 0.00 H new ATOM 941 N GLY A 60 2.705 3.439 -6.379 1.00 0.00 N ATOM 942 CA GLY A 60 2.672 2.728 -7.644 1.00 0.00 C ATOM 943 C GLY A 60 1.427 1.880 -7.840 1.00 0.00 C ATOM 944 O GLY A 60 1.231 1.308 -8.912 1.00 0.00 O ATOM 0 H GLY A 60 2.058 4.225 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.740 3.450 -8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.551 2.087 -7.713 1.00 0.00 H new ATOM 948 N ALA A 61 0.569 1.822 -6.830 1.00 0.00 N ATOM 949 CA ALA A 61 -0.586 0.925 -6.856 1.00 0.00 C ATOM 950 C ALA A 61 -1.835 1.605 -7.412 1.00 0.00 C ATOM 951 O ALA A 61 -2.889 1.594 -6.781 1.00 0.00 O ATOM 952 CB ALA A 61 -0.865 0.405 -5.457 1.00 0.00 C ATOM 0 H ALA A 61 0.648 2.383 -5.982 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.341 0.097 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.726 -0.263 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.006 -0.139 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.075 1.243 -4.792 1.00 0.00 H new ATOM 958 N THR A 62 -1.730 2.190 -8.589 1.00 0.00 N ATOM 959 CA THR A 62 -2.874 2.867 -9.177 1.00 0.00 C ATOM 960 C THR A 62 -3.156 2.347 -10.577 1.00 0.00 C ATOM 961 O THR A 62 -3.981 1.452 -10.758 1.00 0.00 O ATOM 962 CB THR A 62 -2.661 4.391 -9.207 1.00 0.00 C ATOM 963 OG1 THR A 62 -1.650 4.751 -8.257 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.952 5.117 -8.862 1.00 0.00 C ATOM 0 H THR A 62 -0.879 2.212 -9.151 1.00 0.00 H new ATOM 0 HA THR A 62 -3.740 2.654 -8.550 1.00 0.00 H new ATOM 0 HB THR A 62 -2.350 4.680 -10.211 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.513 5.721 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.782 6.193 -8.888 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.722 4.853 -9.587 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.278 4.825 -7.864 1.00 0.00 H new ATOM 972 N LYS A 63 -2.468 2.900 -11.564 1.00 0.00 N ATOM 973 CA LYS A 63 -2.625 2.461 -12.941 1.00 0.00 C ATOM 974 C LYS A 63 -1.298 2.569 -13.678 1.00 0.00 C ATOM 975 O LYS A 63 -0.670 1.564 -14.008 1.00 0.00 O ATOM 976 CB LYS A 63 -3.686 3.292 -13.672 1.00 0.00 C ATOM 977 CG LYS A 63 -5.093 3.158 -13.116 1.00 0.00 C ATOM 978 CD LYS A 63 -6.123 3.783 -14.045 1.00 0.00 C ATOM 979 CE LYS A 63 -6.138 3.101 -15.407 1.00 0.00 C ATOM 980 NZ LYS A 63 -6.510 1.663 -15.316 1.00 0.00 N ATOM 0 H LYS A 63 -1.794 3.655 -11.436 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.952 1.421 -12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.394 4.342 -13.635 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.696 3.000 -14.722 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.328 2.104 -12.968 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.146 3.637 -12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.112 3.713 -13.592 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.904 4.843 -14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.843 3.615 -16.060 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.154 3.191 -15.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.672 1.285 -16.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.740 1.133 -14.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.379 1.564 -14.753 1.00 0.00 H new ATOM 994 N ASP A 64 -0.877 3.800 -13.926 1.00 0.00 N ATOM 995 CA ASP A 64 0.383 4.060 -14.607 1.00 0.00 C ATOM 996 C ASP A 64 1.232 5.006 -13.781 1.00 0.00 C ATOM 997 O ASP A 64 0.996 6.214 -13.770 1.00 0.00 O ATOM 998 CB ASP A 64 0.140 4.659 -15.994 1.00 0.00 C ATOM 999 CG ASP A 64 -0.520 3.682 -16.944 1.00 0.00 C ATOM 1000 OD1 ASP A 64 0.201 2.887 -17.585 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -1.763 3.695 -17.052 1.00 0.00 O ATOM 0 H ASP A 64 -1.393 4.640 -13.664 1.00 0.00 H new ATOM 0 HA ASP A 64 0.909 3.113 -14.727 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.487 5.546 -15.898 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.091 4.985 -16.416 1.00 0.00 H new ATOM 1006 N ALA A 65 2.212 4.452 -13.085 1.00 0.00 N ATOM 1007 CA ALA A 65 3.071 5.239 -12.217 1.00 0.00 C ATOM 1008 C ALA A 65 4.359 4.489 -11.909 1.00 0.00 C ATOM 1009 O ALA A 65 5.396 4.730 -12.526 1.00 0.00 O ATOM 1010 CB ALA A 65 2.340 5.592 -10.930 1.00 0.00 C ATOM 0 H ALA A 65 2.432 3.456 -13.105 1.00 0.00 H new ATOM 0 HA ALA A 65 3.330 6.162 -12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.996 6.182 -10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.447 6.171 -11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.053 4.677 -10.412 1.00 0.00 H new ATOM 1016 N ALA A 66 4.273 3.553 -10.974 1.00 0.00 N ATOM 1017 CA ALA A 66 5.428 2.775 -10.557 1.00 0.00 C ATOM 1018 C ALA A 66 4.999 1.376 -10.137 1.00 0.00 C ATOM 1019 O ALA A 66 5.195 0.962 -8.997 1.00 0.00 O ATOM 1020 CB ALA A 66 6.155 3.478 -9.421 1.00 0.00 C ATOM 0 H ALA A 66 3.409 3.314 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 66 6.113 2.685 -11.400 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.018 2.884 -9.119 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.489 4.460 -9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.480 3.594 -8.573 1.00 0.00 H new ATOM 1026 N THR A 67 4.417 0.649 -11.074 1.00 0.00 N ATOM 1027 CA THR A 67 3.911 -0.689 -10.812 1.00 0.00 C ATOM 1028 C THR A 67 5.044 -1.675 -10.554 1.00 0.00 C ATOM 1029 O THR A 67 4.838 -2.744 -9.974 1.00 0.00 O ATOM 1030 CB THR A 67 3.079 -1.187 -12.000 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.640 -0.682 -13.218 1.00 0.00 O ATOM 1032 CG2 THR A 67 1.626 -0.749 -11.875 1.00 0.00 C ATOM 0 H THR A 67 4.282 0.966 -12.034 1.00 0.00 H new ATOM 0 HA THR A 67 3.288 -0.630 -9.920 1.00 0.00 H new ATOM 0 HB THR A 67 3.102 -2.277 -12.008 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.111 -1.001 -13.979 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.060 -1.116 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.201 -1.156 -10.958 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.575 0.339 -11.847 1.00 0.00 H new ATOM 1040 N LYS A 68 6.241 -1.307 -10.981 1.00 0.00 N ATOM 1041 CA LYS A 68 7.393 -2.183 -10.862 1.00 0.00 C ATOM 1042 C LYS A 68 7.991 -2.114 -9.459 1.00 0.00 C ATOM 1043 O LYS A 68 8.609 -3.068 -8.991 1.00 0.00 O ATOM 1044 CB LYS A 68 8.438 -1.816 -11.912 1.00 0.00 C ATOM 1045 CG LYS A 68 7.868 -1.731 -13.319 1.00 0.00 C ATOM 1046 CD LYS A 68 8.942 -1.432 -14.350 1.00 0.00 C ATOM 1047 CE LYS A 68 8.352 -1.318 -15.747 1.00 0.00 C ATOM 1048 NZ LYS A 68 7.712 -2.586 -16.194 1.00 0.00 N ATOM 0 H LYS A 68 6.439 -0.405 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 68 7.066 -3.209 -11.034 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.886 -0.858 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.237 -2.557 -11.895 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.377 -2.672 -13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.105 -0.954 -13.355 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.449 -0.503 -14.090 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.694 -2.221 -14.334 1.00 0.00 H new ATOM 0 HE2 LYS A 68 7.614 -0.516 -15.763 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.138 -1.043 -16.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.507 -2.531 -17.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.356 -3.382 -16.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.826 -2.731 -15.670 1.00 0.00 H new ATOM 1062 N ILE A 69 7.813 -0.981 -8.788 1.00 0.00 N ATOM 1063 CA ILE A 69 8.257 -0.854 -7.403 1.00 0.00 C ATOM 1064 C ILE A 69 7.174 -1.367 -6.474 1.00 0.00 C ATOM 1065 O ILE A 69 7.429 -1.708 -5.320 1.00 0.00 O ATOM 1066 CB ILE A 69 8.603 0.604 -7.016 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.341 1.407 -6.686 1.00 0.00 C ATOM 1068 CG2 ILE A 69 9.363 1.273 -8.146 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.626 2.788 -6.132 1.00 0.00 C ATOM 0 H ILE A 69 7.370 -0.147 -9.174 1.00 0.00 H new ATOM 0 HA ILE A 69 9.167 -1.446 -7.305 1.00 0.00 H new ATOM 0 HB ILE A 69 9.229 0.578 -6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.737 1.505 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.746 0.850 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.603 2.299 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.285 0.725 -8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.748 1.277 -9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.685 3.297 -5.922 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.204 2.699 -5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.194 3.363 -6.863 1.00 0.00 H new ATOM 1081 N LEU A 70 5.965 -1.440 -7.012 1.00 0.00 N ATOM 1082 CA LEU A 70 4.789 -1.779 -6.233 1.00 0.00 C ATOM 1083 C LEU A 70 4.876 -3.218 -5.720 1.00 0.00 C ATOM 1084 O LEU A 70 4.318 -3.554 -4.674 1.00 0.00 O ATOM 1085 CB LEU A 70 3.534 -1.555 -7.093 1.00 0.00 C ATOM 1086 CG LEU A 70 2.183 -1.611 -6.368 1.00 0.00 C ATOM 1087 CD1 LEU A 70 1.680 -3.040 -6.254 1.00 0.00 C ATOM 1088 CD2 LEU A 70 2.291 -0.966 -4.993 1.00 0.00 C ATOM 0 H LEU A 70 5.775 -1.266 -7.999 1.00 0.00 H new ATOM 0 HA LEU A 70 4.730 -1.133 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.621 -0.581 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.526 -2.304 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 70 1.459 -1.050 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.721 -3.048 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.557 -3.463 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.400 -3.636 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.324 -1.014 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.034 -1.498 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.592 0.076 -5.102 1.00 0.00 H new ATOM 1100 N SER A 71 5.608 -4.052 -6.447 1.00 0.00 N ATOM 1101 CA SER A 71 5.809 -5.440 -6.061 1.00 0.00 C ATOM 1102 C SER A 71 6.497 -5.528 -4.694 1.00 0.00 C ATOM 1103 O SER A 71 6.302 -6.487 -3.936 1.00 0.00 O ATOM 1104 CB SER A 71 6.651 -6.139 -7.125 1.00 0.00 C ATOM 1105 OG SER A 71 6.239 -5.747 -8.425 1.00 0.00 O ATOM 0 H SER A 71 6.075 -3.787 -7.314 1.00 0.00 H new ATOM 0 HA SER A 71 4.840 -5.933 -5.982 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.704 -5.894 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.557 -7.220 -7.018 1.00 0.00 H new ATOM 0 HG SER A 71 6.790 -6.203 -9.094 1.00 0.00 H new ATOM 1111 N GLU A 72 7.280 -4.503 -4.371 1.00 0.00 N ATOM 1112 CA GLU A 72 8.004 -4.461 -3.110 1.00 0.00 C ATOM 1113 C GLU A 72 7.041 -4.210 -1.951 1.00 0.00 C ATOM 1114 O GLU A 72 7.394 -4.373 -0.790 1.00 0.00 O ATOM 1115 CB GLU A 72 9.095 -3.387 -3.155 1.00 0.00 C ATOM 1116 CG GLU A 72 10.065 -3.450 -1.984 1.00 0.00 C ATOM 1117 CD GLU A 72 10.754 -4.797 -1.873 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.824 -4.974 -2.489 1.00 0.00 O ATOM 1119 OE2 GLU A 72 10.234 -5.684 -1.163 1.00 0.00 O ATOM 0 H GLU A 72 7.428 -3.690 -4.968 1.00 0.00 H new ATOM 0 HA GLU A 72 8.484 -5.427 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.655 -3.489 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.624 -2.404 -3.173 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.817 -2.669 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.527 -3.243 -1.059 1.00 0.00 H new ATOM 1126 N VAL A 73 5.831 -3.782 -2.277 1.00 0.00 N ATOM 1127 CA VAL A 73 4.773 -3.659 -1.290 1.00 0.00 C ATOM 1128 C VAL A 73 4.009 -4.981 -1.155 1.00 0.00 C ATOM 1129 O VAL A 73 3.889 -5.538 -0.058 1.00 0.00 O ATOM 1130 CB VAL A 73 3.792 -2.523 -1.657 1.00 0.00 C ATOM 1131 CG1 VAL A 73 2.697 -2.391 -0.609 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.538 -1.206 -1.816 1.00 0.00 C ATOM 0 H VAL A 73 5.558 -3.513 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 73 5.239 -3.415 -0.335 1.00 0.00 H new ATOM 0 HB VAL A 73 3.323 -2.774 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.019 -1.585 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.141 -3.326 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.145 -2.167 0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.832 -0.417 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.036 -0.955 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.281 -1.302 -2.608 1.00 0.00 H new ATOM 1142 N THR A 74 3.538 -5.492 -2.291 1.00 0.00 N ATOM 1143 CA THR A 74 2.651 -6.655 -2.331 1.00 0.00 C ATOM 1144 C THR A 74 3.225 -7.878 -1.622 1.00 0.00 C ATOM 1145 O THR A 74 2.563 -8.457 -0.756 1.00 0.00 O ATOM 1146 CB THR A 74 2.308 -7.028 -3.784 1.00 0.00 C ATOM 1147 OG1 THR A 74 3.497 -7.008 -4.582 1.00 0.00 O ATOM 1148 CG2 THR A 74 1.284 -6.070 -4.365 1.00 0.00 C ATOM 0 H THR A 74 3.760 -5.112 -3.211 1.00 0.00 H new ATOM 0 HA THR A 74 1.750 -6.359 -1.794 1.00 0.00 H new ATOM 0 HB THR A 74 1.880 -8.031 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.308 -7.399 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.060 -6.356 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.371 -6.108 -3.770 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.685 -5.056 -4.350 1.00 0.00 H new ATOM 1156 N ARG A 75 4.444 -8.279 -1.983 1.00 0.00 N ATOM 1157 CA ARG A 75 5.031 -9.484 -1.398 1.00 0.00 C ATOM 1158 C ARG A 75 5.128 -9.383 0.132 1.00 0.00 C ATOM 1159 O ARG A 75 4.661 -10.284 0.829 1.00 0.00 O ATOM 1160 CB ARG A 75 6.402 -9.819 -2.007 1.00 0.00 C ATOM 1161 CG ARG A 75 6.363 -10.130 -3.491 1.00 0.00 C ATOM 1162 CD ARG A 75 7.342 -9.257 -4.257 1.00 0.00 C ATOM 1163 NE ARG A 75 8.727 -9.435 -3.808 1.00 0.00 N ATOM 1164 CZ ARG A 75 9.393 -8.548 -3.063 1.00 0.00 C ATOM 1165 NH1 ARG A 75 8.789 -7.442 -2.645 1.00 0.00 N ATOM 1166 NH2 ARG A 75 10.659 -8.766 -2.734 1.00 0.00 N ATOM 0 H ARG A 75 5.034 -7.799 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 75 4.355 -10.304 -1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.076 -8.979 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.823 -10.675 -1.479 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.604 -11.181 -3.652 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.354 -9.972 -3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.276 -9.490 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.058 -8.211 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 75 9.212 -10.289 -4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.815 -7.268 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.299 -6.766 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.129 -9.614 -3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 75 11.163 -8.085 -2.165 1.00 0.00 H new ATOM 1180 N PRO A 76 5.716 -8.301 0.700 1.00 0.00 N ATOM 1181 CA PRO A 76 5.823 -8.161 2.158 1.00 0.00 C ATOM 1182 C PRO A 76 4.474 -8.112 2.860 1.00 0.00 C ATOM 1183 O PRO A 76 4.308 -8.704 3.920 1.00 0.00 O ATOM 1184 CB PRO A 76 6.560 -6.835 2.344 1.00 0.00 C ATOM 1185 CG PRO A 76 7.283 -6.632 1.070 1.00 0.00 C ATOM 1186 CD PRO A 76 6.366 -7.169 0.015 1.00 0.00 C ATOM 0 HA PRO A 76 6.332 -9.020 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.865 -6.019 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.248 -6.878 3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.501 -5.577 0.904 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.237 -7.159 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.642 -6.422 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.912 -7.491 -0.871 1.00 0.00 H new ATOM 1194 N MET A 77 3.505 -7.426 2.261 1.00 0.00 N ATOM 1195 CA MET A 77 2.175 -7.293 2.862 1.00 0.00 C ATOM 1196 C MET A 77 1.502 -8.651 3.022 1.00 0.00 C ATOM 1197 O MET A 77 0.539 -8.793 3.771 1.00 0.00 O ATOM 1198 CB MET A 77 1.290 -6.375 2.022 1.00 0.00 C ATOM 1199 CG MET A 77 1.710 -4.918 2.066 1.00 0.00 C ATOM 1200 SD MET A 77 1.663 -4.233 3.734 1.00 0.00 S ATOM 1201 CE MET A 77 2.122 -2.535 3.407 1.00 0.00 C ATOM 0 H MET A 77 3.612 -6.954 1.363 1.00 0.00 H new ATOM 0 HA MET A 77 2.306 -6.853 3.851 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.305 -6.717 0.987 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.261 -6.458 2.371 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.720 -4.822 1.666 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.054 -4.335 1.419 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.121 -1.972 4.340 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.119 -2.506 2.966 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.406 -2.091 2.715 1.00 0.00 H new ATOM 1211 N SER A 78 2.021 -9.643 2.318 1.00 0.00 N ATOM 1212 CA SER A 78 1.495 -10.995 2.370 1.00 0.00 C ATOM 1213 C SER A 78 1.894 -11.706 3.670 1.00 0.00 C ATOM 1214 O SER A 78 1.390 -12.787 3.976 1.00 0.00 O ATOM 1215 CB SER A 78 1.971 -11.778 1.155 1.00 0.00 C ATOM 1216 OG SER A 78 1.538 -13.128 1.201 1.00 0.00 O ATOM 0 H SER A 78 2.820 -9.532 1.694 1.00 0.00 H new ATOM 0 HA SER A 78 0.406 -10.941 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.596 -11.306 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.059 -11.746 1.104 1.00 0.00 H new ATOM 0 HG SER A 78 1.372 -13.387 2.131 1.00 0.00 H new ATOM 1222 N VAL A 79 2.817 -11.121 4.413 1.00 0.00 N ATOM 1223 CA VAL A 79 3.254 -11.702 5.674 1.00 0.00 C ATOM 1224 C VAL A 79 3.375 -10.597 6.728 1.00 0.00 C ATOM 1225 O VAL A 79 3.280 -9.414 6.399 1.00 0.00 O ATOM 1226 CB VAL A 79 4.603 -12.444 5.495 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.751 -11.465 5.300 1.00 0.00 C ATOM 1228 CG2 VAL A 79 4.874 -13.386 6.659 1.00 0.00 C ATOM 0 H VAL A 79 3.279 -10.245 4.167 1.00 0.00 H new ATOM 0 HA VAL A 79 2.516 -12.432 6.008 1.00 0.00 H new ATOM 0 HB VAL A 79 4.528 -13.049 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.683 -12.017 5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.567 -10.861 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.826 -10.815 6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.827 -13.891 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.912 -12.816 7.587 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.077 -14.127 6.721 1.00 0.00 H new ATOM 1238 N HIS A 80 3.538 -10.976 7.990 1.00 0.00 N ATOM 1239 CA HIS A 80 3.740 -9.997 9.052 1.00 0.00 C ATOM 1240 C HIS A 80 5.129 -9.388 8.900 1.00 0.00 C ATOM 1241 O HIS A 80 6.122 -9.946 9.366 1.00 0.00 O ATOM 1242 CB HIS A 80 3.573 -10.652 10.427 1.00 0.00 C ATOM 1243 CG HIS A 80 3.430 -9.669 11.545 1.00 0.00 C ATOM 1244 ND1 HIS A 80 2.266 -8.978 11.787 1.00 0.00 N ATOM 1245 CD2 HIS A 80 4.309 -9.261 12.487 1.00 0.00 C ATOM 1246 CE1 HIS A 80 2.435 -8.185 12.826 1.00 0.00 C ATOM 1247 NE2 HIS A 80 3.668 -8.336 13.271 1.00 0.00 N ATOM 0 H HIS A 80 3.534 -11.947 8.302 1.00 0.00 H new ATOM 0 HA HIS A 80 2.991 -9.209 8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.695 -11.298 10.408 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.435 -11.290 10.623 1.00 0.00 H new ATOM 0 HD2 HIS A 80 5.328 -9.601 12.601 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.690 -7.523 13.243 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.077 -7.846 14.067 1.00 0.00 H new ATOM 1256 N MET A 81 5.182 -8.240 8.247 1.00 0.00 N ATOM 1257 CA MET A 81 6.432 -7.713 7.724 1.00 0.00 C ATOM 1258 C MET A 81 6.816 -6.364 8.345 1.00 0.00 C ATOM 1259 O MET A 81 5.981 -5.656 8.911 1.00 0.00 O ATOM 1260 CB MET A 81 6.289 -7.563 6.203 1.00 0.00 C ATOM 1261 CG MET A 81 7.377 -8.258 5.395 1.00 0.00 C ATOM 1262 SD MET A 81 8.694 -7.137 4.877 1.00 0.00 S ATOM 1263 CE MET A 81 9.766 -8.260 3.984 1.00 0.00 C ATOM 0 H MET A 81 4.369 -7.651 8.065 1.00 0.00 H new ATOM 0 HA MET A 81 7.229 -8.411 7.981 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.320 -7.960 5.901 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.290 -6.502 5.953 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.806 -9.064 5.991 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.930 -8.717 4.513 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.628 -7.713 3.602 1.00 0.00 H new ATOM 0 HE2 MET A 81 10.105 -9.050 4.654 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.218 -8.701 3.152 1.00 0.00 H new ATOM 1273 N PRO A 82 8.126 -6.058 8.250 1.00 0.00 N ATOM 1274 CA PRO A 82 8.775 -4.753 8.511 1.00 0.00 C ATOM 1275 C PRO A 82 8.060 -3.480 8.026 1.00 0.00 C ATOM 1276 O PRO A 82 8.645 -2.413 8.097 1.00 0.00 O ATOM 1277 CB PRO A 82 10.103 -4.887 7.783 1.00 0.00 C ATOM 1278 CG PRO A 82 10.461 -6.310 7.965 1.00 0.00 C ATOM 1279 CD PRO A 82 9.163 -7.069 7.939 1.00 0.00 C ATOM 0 HA PRO A 82 8.808 -4.595 9.589 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.009 -4.630 6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.860 -4.226 8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.128 -6.649 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.984 -6.463 8.909 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.991 -7.525 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.162 -7.875 8.672 1.00 0.00 H new ATOM 1287 N ALA A 83 6.863 -3.613 7.461 1.00 0.00 N ATOM 1288 CA ALA A 83 6.206 -2.583 6.635 1.00 0.00 C ATOM 1289 C ALA A 83 6.365 -1.123 7.087 1.00 0.00 C ATOM 1290 O ALA A 83 6.348 -0.238 6.234 1.00 0.00 O ATOM 1291 CB ALA A 83 4.728 -2.910 6.500 1.00 0.00 C ATOM 0 H ALA A 83 6.302 -4.459 7.563 1.00 0.00 H new ATOM 0 HA ALA A 83 6.733 -2.628 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.241 -2.149 5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.613 -3.884 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.268 -2.931 7.488 1.00 0.00 H new ATOM 1297 N MET A 84 6.521 -0.841 8.375 1.00 0.00 N ATOM 1298 CA MET A 84 6.823 0.533 8.786 1.00 0.00 C ATOM 1299 C MET A 84 8.195 0.945 8.235 1.00 0.00 C ATOM 1300 O MET A 84 8.341 1.982 7.581 1.00 0.00 O ATOM 1301 CB MET A 84 6.767 0.702 10.319 1.00 0.00 C ATOM 1302 CG MET A 84 7.756 -0.153 11.089 1.00 0.00 C ATOM 1303 SD MET A 84 7.280 -1.888 11.155 1.00 0.00 S ATOM 1304 CE MET A 84 8.893 -2.653 11.083 1.00 0.00 C ATOM 0 H MET A 84 6.447 -1.518 9.135 1.00 0.00 H new ATOM 0 HA MET A 84 6.058 1.190 8.371 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.947 1.749 10.562 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.759 0.464 10.660 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.739 -0.069 10.626 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.848 0.232 12.105 1.00 0.00 H new ATOM 0 HE1 MET A 84 8.792 -3.729 11.221 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.348 -2.453 10.113 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.525 -2.244 11.871 1.00 0.00 H new ATOM 1314 N LYS A 85 9.173 0.077 8.439 1.00 0.00 N ATOM 1315 CA LYS A 85 10.532 0.280 7.959 1.00 0.00 C ATOM 1316 C LYS A 85 10.562 0.250 6.433 1.00 0.00 C ATOM 1317 O LYS A 85 11.482 0.766 5.803 1.00 0.00 O ATOM 1318 CB LYS A 85 11.429 -0.830 8.517 1.00 0.00 C ATOM 1319 CG LYS A 85 12.913 -0.644 8.246 1.00 0.00 C ATOM 1320 CD LYS A 85 13.692 -1.921 8.532 1.00 0.00 C ATOM 1321 CE LYS A 85 13.421 -2.453 9.935 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.171 -3.709 10.203 1.00 0.00 N ATOM 0 H LYS A 85 9.045 -0.798 8.948 1.00 0.00 H new ATOM 0 HA LYS A 85 10.894 1.252 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.276 -0.895 9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.112 -1.782 8.092 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.061 -0.350 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.299 0.166 8.864 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.424 -2.681 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.759 -1.728 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.701 -1.699 10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.353 -2.635 10.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.961 -4.040 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.886 -4.437 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.192 -3.530 10.113 1.00 0.00 H new ATOM 1336 N ILE A 86 9.542 -0.349 5.837 1.00 0.00 N ATOM 1337 CA ILE A 86 9.481 -0.465 4.392 1.00 0.00 C ATOM 1338 C ILE A 86 9.329 0.907 3.737 1.00 0.00 C ATOM 1339 O ILE A 86 9.854 1.130 2.648 1.00 0.00 O ATOM 1340 CB ILE A 86 8.359 -1.429 3.936 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.683 -2.845 4.426 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.191 -1.405 2.420 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.706 -3.907 3.968 1.00 0.00 C ATOM 0 H ILE A 86 8.750 -0.760 6.331 1.00 0.00 H new ATOM 0 HA ILE A 86 10.427 -0.894 4.062 1.00 0.00 H new ATOM 0 HB ILE A 86 7.414 -1.103 4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.681 -3.115 4.082 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.711 -2.841 5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.396 -2.092 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.933 -0.396 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.124 -1.710 1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.012 -4.877 4.361 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.708 -3.666 4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.693 -3.944 2.879 1.00 0.00 H new ATOM 1355 N CYS A 87 8.672 1.847 4.416 1.00 0.00 N ATOM 1356 CA CYS A 87 8.558 3.194 3.866 1.00 0.00 C ATOM 1357 C CYS A 87 9.855 3.954 4.087 1.00 0.00 C ATOM 1358 O CYS A 87 10.148 4.924 3.392 1.00 0.00 O ATOM 1359 CB CYS A 87 7.373 3.972 4.453 1.00 0.00 C ATOM 1360 SG CYS A 87 7.173 5.642 3.733 1.00 0.00 S ATOM 0 H CYS A 87 8.223 1.707 5.321 1.00 0.00 H new ATOM 0 HA CYS A 87 8.370 3.094 2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.458 3.402 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.505 4.063 5.531 1.00 0.00 H new ATOM 1365 N GLU A 88 10.645 3.487 5.041 1.00 0.00 N ATOM 1366 CA GLU A 88 11.969 4.030 5.265 1.00 0.00 C ATOM 1367 C GLU A 88 12.822 3.748 4.033 1.00 0.00 C ATOM 1368 O GLU A 88 13.431 4.650 3.449 1.00 0.00 O ATOM 1369 CB GLU A 88 12.580 3.370 6.499 1.00 0.00 C ATOM 1370 CG GLU A 88 13.974 3.858 6.854 1.00 0.00 C ATOM 1371 CD GLU A 88 13.948 5.134 7.662 1.00 0.00 C ATOM 1372 OE1 GLU A 88 13.909 6.227 7.062 1.00 0.00 O ATOM 1373 OE2 GLU A 88 13.957 5.048 8.906 1.00 0.00 O ATOM 0 H GLU A 88 10.388 2.729 5.674 1.00 0.00 H new ATOM 0 HA GLU A 88 11.920 5.106 5.433 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.921 3.542 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.617 2.293 6.338 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.494 3.084 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.543 4.022 5.939 1.00 0.00 H new ATOM 1380 N LYS A 89 12.812 2.481 3.623 1.00 0.00 N ATOM 1381 CA LYS A 89 13.524 2.040 2.428 1.00 0.00 C ATOM 1382 C LYS A 89 12.954 2.718 1.185 1.00 0.00 C ATOM 1383 O LYS A 89 13.680 3.015 0.233 1.00 0.00 O ATOM 1384 CB LYS A 89 13.405 0.522 2.269 1.00 0.00 C ATOM 1385 CG LYS A 89 13.931 -0.274 3.455 1.00 0.00 C ATOM 1386 CD LYS A 89 13.773 -1.771 3.226 1.00 0.00 C ATOM 1387 CE LYS A 89 12.312 -2.155 3.046 1.00 0.00 C ATOM 1388 NZ LYS A 89 12.157 -3.586 2.669 1.00 0.00 N ATOM 0 H LYS A 89 12.312 1.736 4.108 1.00 0.00 H new ATOM 0 HA LYS A 89 14.573 2.314 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.358 0.266 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.947 0.218 1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.982 -0.037 3.618 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.395 0.017 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.340 -2.067 2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.192 -2.316 4.072 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.769 -1.963 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.863 -1.526 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.147 -3.808 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.653 -3.765 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.562 -4.187 3.415 1.00 0.00 H new ATOM 1402 N LEU A 90 11.648 2.968 1.220 1.00 0.00 N ATOM 1403 CA LEU A 90 10.924 3.547 0.094 1.00 0.00 C ATOM 1404 C LEU A 90 11.423 4.936 -0.272 1.00 0.00 C ATOM 1405 O LEU A 90 11.231 5.378 -1.405 1.00 0.00 O ATOM 1406 CB LEU A 90 9.425 3.616 0.396 1.00 0.00 C ATOM 1407 CG LEU A 90 8.629 2.368 0.019 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.169 2.525 0.415 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.753 2.114 -1.474 1.00 0.00 C ATOM 0 H LEU A 90 11.062 2.774 2.032 1.00 0.00 H new ATOM 0 HA LEU A 90 11.105 2.891 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.293 3.804 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.003 4.471 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 90 9.035 1.513 0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.618 1.626 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.098 2.677 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.742 3.385 -0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.184 1.223 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.362 2.971 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.802 1.965 -1.732 1.00 0.00 H new ATOM 1421 N LYS A 91 12.073 5.621 0.663 1.00 0.00 N ATOM 1422 CA LYS A 91 12.512 6.987 0.404 1.00 0.00 C ATOM 1423 C LYS A 91 13.556 7.023 -0.705 1.00 0.00 C ATOM 1424 O LYS A 91 13.727 8.042 -1.376 1.00 0.00 O ATOM 1425 CB LYS A 91 13.090 7.644 1.656 1.00 0.00 C ATOM 1426 CG LYS A 91 12.199 7.551 2.880 1.00 0.00 C ATOM 1427 CD LYS A 91 12.665 8.494 3.981 1.00 0.00 C ATOM 1428 CE LYS A 91 14.162 8.384 4.225 1.00 0.00 C ATOM 1429 NZ LYS A 91 14.565 7.013 4.637 1.00 0.00 N ATOM 0 H LYS A 91 12.304 5.262 1.589 1.00 0.00 H new ATOM 0 HA LYS A 91 11.630 7.546 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.050 7.181 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.286 8.695 1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.172 7.792 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.197 6.527 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.416 9.520 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.129 8.269 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.698 8.661 3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.456 9.095 4.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.603 6.944 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.198 6.815 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.177 6.320 3.965 1.00 0.00 H new ATOM 1443 N LYS A 92 14.247 5.905 -0.901 1.00 0.00 N ATOM 1444 CA LYS A 92 15.280 5.821 -1.922 1.00 0.00 C ATOM 1445 C LYS A 92 14.649 5.602 -3.296 1.00 0.00 C ATOM 1446 O LYS A 92 15.272 5.848 -4.332 1.00 0.00 O ATOM 1447 CB LYS A 92 16.262 4.694 -1.594 1.00 0.00 C ATOM 1448 CG LYS A 92 17.522 4.725 -2.440 1.00 0.00 C ATOM 1449 CD LYS A 92 18.290 6.021 -2.236 1.00 0.00 C ATOM 1450 CE LYS A 92 19.444 6.149 -3.215 1.00 0.00 C ATOM 1451 NZ LYS A 92 18.974 6.263 -4.623 1.00 0.00 N ATOM 0 H LYS A 92 14.109 5.047 -0.367 1.00 0.00 H new ATOM 0 HA LYS A 92 15.831 6.761 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.539 4.758 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.763 3.735 -1.734 1.00 0.00 H new ATOM 0 HG2 LYS A 92 18.158 3.878 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.259 4.617 -3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 92 17.614 6.868 -2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.672 6.061 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.040 7.026 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.097 5.281 -3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.744 6.631 -5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.686 5.326 -4.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.163 6.912 -4.667 1.00 0.00 H new ATOM 1465 N LEU A 93 13.406 5.143 -3.295 1.00 0.00 N ATOM 1466 CA LEU A 93 12.651 4.977 -4.525 1.00 0.00 C ATOM 1467 C LEU A 93 11.979 6.299 -4.875 1.00 0.00 C ATOM 1468 O LEU A 93 12.063 6.774 -6.008 1.00 0.00 O ATOM 1469 CB LEU A 93 11.598 3.864 -4.389 1.00 0.00 C ATOM 1470 CG LEU A 93 12.143 2.431 -4.284 1.00 0.00 C ATOM 1471 CD1 LEU A 93 12.811 2.188 -2.938 1.00 0.00 C ATOM 1472 CD2 LEU A 93 11.026 1.425 -4.508 1.00 0.00 C ATOM 0 H LEU A 93 12.898 4.878 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 93 13.335 4.685 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.995 4.068 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.930 3.916 -5.249 1.00 0.00 H new ATOM 0 HG LEU A 93 12.898 2.302 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.185 1.165 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.641 2.883 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.086 2.341 -2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.426 0.414 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.252 1.567 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.598 1.571 -5.500 1.00 0.00 H new ATOM 1484 N ASP A 94 11.327 6.890 -3.881 1.00 0.00 N ATOM 1485 CA ASP A 94 10.733 8.214 -4.016 1.00 0.00 C ATOM 1486 C ASP A 94 10.504 8.799 -2.627 1.00 0.00 C ATOM 1487 O ASP A 94 9.818 8.203 -1.800 1.00 0.00 O ATOM 1488 CB ASP A 94 9.407 8.147 -4.785 1.00 0.00 C ATOM 1489 CG ASP A 94 8.978 9.498 -5.328 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.045 10.498 -4.581 1.00 0.00 O ATOM 1491 OD2 ASP A 94 8.574 9.565 -6.510 1.00 0.00 O ATOM 0 H ASP A 94 11.196 6.467 -2.962 1.00 0.00 H new ATOM 0 HA ASP A 94 11.414 8.852 -4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.505 7.442 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.629 7.760 -4.127 1.00 0.00 H new ATOM 1496 N SER A 95 11.082 9.961 -2.368 1.00 0.00 N ATOM 1497 CA SER A 95 11.016 10.564 -1.046 1.00 0.00 C ATOM 1498 C SER A 95 9.720 11.359 -0.871 1.00 0.00 C ATOM 1499 O SER A 95 9.341 11.718 0.246 1.00 0.00 O ATOM 1500 CB SER A 95 12.236 11.457 -0.826 1.00 0.00 C ATOM 1501 OG SER A 95 13.425 10.785 -1.213 1.00 0.00 O ATOM 0 H SER A 95 11.602 10.506 -3.056 1.00 0.00 H new ATOM 0 HA SER A 95 11.019 9.771 -0.298 1.00 0.00 H new ATOM 0 HB2 SER A 95 12.128 12.377 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.299 11.743 0.224 1.00 0.00 H new ATOM 0 HG SER A 95 13.291 9.817 -1.143 1.00 0.00 H new ATOM 1507 N GLN A 96 9.032 11.619 -1.979 1.00 0.00 N ATOM 1508 CA GLN A 96 7.785 12.370 -1.939 1.00 0.00 C ATOM 1509 C GLN A 96 6.653 11.502 -1.404 1.00 0.00 C ATOM 1510 O GLN A 96 5.593 12.005 -1.046 1.00 0.00 O ATOM 1511 CB GLN A 96 7.438 12.928 -3.316 1.00 0.00 C ATOM 1512 CG GLN A 96 8.418 13.988 -3.791 1.00 0.00 C ATOM 1513 CD GLN A 96 8.095 14.511 -5.175 1.00 0.00 C ATOM 1514 OE1 GLN A 96 6.939 14.545 -5.587 1.00 0.00 O ATOM 1515 NE2 GLN A 96 9.119 14.921 -5.904 1.00 0.00 N ATOM 0 H GLN A 96 9.317 11.321 -2.912 1.00 0.00 H new ATOM 0 HA GLN A 96 7.919 13.213 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.416 12.112 -4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 96 6.435 13.355 -3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 96 8.418 14.818 -3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.425 13.571 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 96 10.065 14.876 -5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.963 15.282 -6.845 1.00 0.00 H new ATOM 1524 N ILE A 97 6.892 10.194 -1.354 1.00 0.00 N ATOM 1525 CA ILE A 97 5.982 9.270 -0.680 1.00 0.00 C ATOM 1526 C ILE A 97 5.882 9.651 0.795 1.00 0.00 C ATOM 1527 O ILE A 97 4.838 9.511 1.437 1.00 0.00 O ATOM 1528 CB ILE A 97 6.486 7.809 -0.781 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.606 7.380 -2.243 1.00 0.00 C ATOM 1530 CG2 ILE A 97 5.559 6.867 -0.028 1.00 0.00 C ATOM 1531 CD1 ILE A 97 7.236 6.016 -2.432 1.00 0.00 C ATOM 0 H ILE A 97 7.709 9.749 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 97 5.008 9.338 -1.165 1.00 0.00 H new ATOM 0 HB ILE A 97 7.474 7.759 -0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.613 7.376 -2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.198 8.120 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.931 5.846 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.523 7.155 1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.558 6.924 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.286 5.783 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.242 6.019 -2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.633 5.263 -1.924 1.00 0.00 H new ATOM 1543 N CYS A 98 6.988 10.153 1.311 1.00 0.00 N ATOM 1544 CA CYS A 98 7.092 10.525 2.704 1.00 0.00 C ATOM 1545 C CYS A 98 6.635 11.950 2.936 1.00 0.00 C ATOM 1546 O CYS A 98 5.790 12.210 3.796 1.00 0.00 O ATOM 1547 CB CYS A 98 8.534 10.367 3.156 1.00 0.00 C ATOM 1548 SG CYS A 98 9.089 8.644 3.169 1.00 0.00 S ATOM 0 H CYS A 98 7.839 10.313 0.773 1.00 0.00 H new ATOM 0 HA CYS A 98 6.442 9.870 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.181 10.946 2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.643 10.785 4.157 1.00 0.00 H new ATOM 1553 N GLU A 99 7.180 12.867 2.157 1.00 0.00 N ATOM 1554 CA GLU A 99 6.908 14.282 2.339 1.00 0.00 C ATOM 1555 C GLU A 99 5.628 14.696 1.615 1.00 0.00 C ATOM 1556 O GLU A 99 5.582 15.726 0.943 1.00 0.00 O ATOM 1557 CB GLU A 99 8.089 15.114 1.840 1.00 0.00 C ATOM 1558 CG GLU A 99 9.371 14.865 2.613 1.00 0.00 C ATOM 1559 CD GLU A 99 9.268 15.298 4.059 1.00 0.00 C ATOM 1560 OE1 GLU A 99 8.845 14.483 4.905 1.00 0.00 O ATOM 1561 OE2 GLU A 99 9.612 16.460 4.358 1.00 0.00 O ATOM 0 H GLU A 99 7.817 12.656 1.389 1.00 0.00 H new ATOM 0 HA GLU A 99 6.767 14.465 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.260 14.893 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.833 16.171 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.617 13.804 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.190 15.401 2.134 1.00 0.00 H new ATOM 1568 N LEU A 100 4.601 13.878 1.746 1.00 0.00 N ATOM 1569 CA LEU A 100 3.295 14.182 1.187 1.00 0.00 C ATOM 1570 C LEU A 100 2.323 14.443 2.325 1.00 0.00 C ATOM 1571 O LEU A 100 1.223 13.894 2.360 1.00 0.00 O ATOM 1572 CB LEU A 100 2.803 13.021 0.319 1.00 0.00 C ATOM 1573 CG LEU A 100 2.510 13.376 -1.140 1.00 0.00 C ATOM 1574 CD1 LEU A 100 2.158 12.127 -1.924 1.00 0.00 C ATOM 1575 CD2 LEU A 100 1.381 14.385 -1.234 1.00 0.00 C ATOM 0 H LEU A 100 4.647 12.987 2.241 1.00 0.00 H new ATOM 0 HA LEU A 100 3.364 15.068 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.552 12.230 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.896 12.613 0.766 1.00 0.00 H new ATOM 0 HG LEU A 100 3.407 13.823 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.952 12.394 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.993 11.428 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.275 11.660 -1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.191 14.622 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.480 13.965 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.660 15.294 -0.701 1.00 0.00 H new ATOM 1587 N LYS A 101 2.754 15.290 3.254 1.00 0.00 N ATOM 1588 CA LYS A 101 2.027 15.533 4.493 1.00 0.00 C ATOM 1589 C LYS A 101 0.648 16.122 4.222 1.00 0.00 C ATOM 1590 O LYS A 101 0.401 16.708 3.164 1.00 0.00 O ATOM 1591 CB LYS A 101 2.827 16.482 5.392 1.00 0.00 C ATOM 1592 CG LYS A 101 4.261 16.035 5.641 1.00 0.00 C ATOM 1593 CD LYS A 101 4.328 14.637 6.234 1.00 0.00 C ATOM 1594 CE LYS A 101 5.762 14.234 6.544 1.00 0.00 C ATOM 1595 NZ LYS A 101 6.348 15.059 7.635 1.00 0.00 N ATOM 0 H LYS A 101 3.617 15.827 3.168 1.00 0.00 H new ATOM 0 HA LYS A 101 1.895 14.576 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.840 17.473 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.315 16.577 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.816 16.058 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.748 16.739 6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.732 14.598 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.890 13.923 5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.790 13.182 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.370 14.336 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.231 14.620 7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.549 16.015 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.674 15.120 8.425 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.244 15.962 5.190 1.00 0.00 N ATOM 1610 CA TYR A 102 -1.609 16.448 5.065 1.00 0.00 C ATOM 1611 C TYR A 102 -1.653 17.968 5.124 1.00 0.00 C ATOM 1612 O TYR A 102 -1.818 18.557 6.198 1.00 0.00 O ATOM 1613 CB TYR A 102 -2.503 15.849 6.151 1.00 0.00 C ATOM 1614 CG TYR A 102 -2.726 14.363 5.998 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.499 13.865 4.958 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.169 13.459 6.893 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.710 12.509 4.811 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.375 12.100 6.753 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.146 11.632 5.711 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.360 10.282 5.572 1.00 0.00 O ATOM 0 H TYR A 102 -0.044 15.496 6.075 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.987 16.130 4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.056 16.042 7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.468 16.356 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -3.943 14.551 4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.566 13.824 7.711 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.313 12.138 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.934 11.409 7.456 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.892 9.801 6.287 1.00 0.00 H new ATOM 1630 N GLU A 103 -1.480 18.581 3.955 1.00 0.00 N ATOM 1631 CA GLU A 103 -1.562 20.026 3.780 1.00 0.00 C ATOM 1632 C GLU A 103 -0.397 20.726 4.467 1.00 0.00 C ATOM 1633 O GLU A 103 -0.460 21.073 5.646 1.00 0.00 O ATOM 1634 CB GLU A 103 -2.902 20.564 4.282 1.00 0.00 C ATOM 1635 CG GLU A 103 -4.098 19.914 3.604 1.00 0.00 C ATOM 1636 CD GLU A 103 -4.068 20.059 2.097 1.00 0.00 C ATOM 1637 OE1 GLU A 103 -4.575 21.076 1.587 1.00 0.00 O ATOM 1638 OE2 GLU A 103 -3.550 19.152 1.414 1.00 0.00 O ATOM 0 H GLU A 103 -1.276 18.079 3.091 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.496 20.239 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.971 20.404 5.358 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.939 21.641 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.125 18.855 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.015 20.360 3.989 1.00 0.00 H new ATOM 1645 N LYS A 104 0.675 20.913 3.714 1.00 0.00 N ATOM 1646 CA LYS A 104 1.869 21.569 4.218 1.00 0.00 C ATOM 1647 C LYS A 104 1.840 23.050 3.878 1.00 0.00 C ATOM 1648 O LYS A 104 1.957 23.432 2.713 1.00 0.00 O ATOM 1649 CB LYS A 104 3.118 20.936 3.611 1.00 0.00 C ATOM 1650 CG LYS A 104 4.418 21.544 4.117 1.00 0.00 C ATOM 1651 CD LYS A 104 4.630 21.281 5.601 1.00 0.00 C ATOM 1652 CE LYS A 104 4.808 19.799 5.889 1.00 0.00 C ATOM 1653 NZ LYS A 104 6.001 19.236 5.203 1.00 0.00 N ATOM 0 H LYS A 104 0.741 20.616 2.741 1.00 0.00 H new ATOM 0 HA LYS A 104 1.894 21.448 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.117 19.868 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.077 21.039 2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.255 21.132 3.553 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.410 22.619 3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.508 21.827 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.777 21.661 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.904 19.648 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 104 3.917 19.258 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.234 18.310 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.797 19.122 4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 6.808 19.881 5.323 1.00 0.00 H new ATOM 1667 N THR A 105 1.680 23.880 4.889 1.00 0.00 N ATOM 1668 CA THR A 105 1.631 25.311 4.687 1.00 0.00 C ATOM 1669 C THR A 105 2.556 26.024 5.666 1.00 0.00 C ATOM 1670 O THR A 105 3.653 26.450 5.251 1.00 0.00 O ATOM 1671 CB THR A 105 0.189 25.831 4.832 1.00 0.00 C ATOM 1672 OG1 THR A 105 -0.369 25.390 6.079 1.00 0.00 O ATOM 1673 CG2 THR A 105 -0.674 25.334 3.679 1.00 0.00 C ATOM 1674 OXT THR A 105 2.206 26.119 6.861 1.00 0.00 O ATOM 0 H THR A 105 1.582 23.586 5.861 1.00 0.00 H new ATOM 0 HA THR A 105 1.973 25.524 3.674 1.00 0.00 H new ATOM 0 HB THR A 105 0.210 26.921 4.812 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.297 25.493 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.690 25.710 3.797 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.262 25.691 2.735 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.689 24.244 3.679 1.00 0.00 H new TER 1682 THR A 105