USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 640 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 59 THR OG1 : rot 180:sc= -0.0238 USER MOD Set 1.2: A 62 SER OG : rot 150:sc= -1.98! USER MOD Set 2.1: A 33 CYS SG : rot 28:sc= -2.4! USER MOD Set 2.2: A 49 LYS NZ :NH3+ 154:sc= 1.47 (180deg=1.25) USER MOD Set 3.1: A 5 CYS SG : rot 64:sc= 3.36 USER MOD Set 3.2: A 10 CYS SG : rot -101:sc= -2.42! USER MOD Set 3.3: A 12 ASN : amide:sc= 0.571 K(o=-6.4,f=-8.1) USER MOD Set 3.4: A 54 CYS SG : rot -104:sc= -4.78! USER MOD Set 3.5: A 57 HIS : no HD1:sc= -3.17! C(o=-6.4!,f=-17!) USER MOD Single : A 6 SER OG : rot -100:sc= -1.1 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -151:sc= 1.22 (180deg=1.19) USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.361) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -7.54! C(o=-10!,f=-7.5!) USER MOD Single : A 24 LYS NZ :NH3+ 151:sc= -0.235 (180deg=-1.46!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 81:sc= 0.151 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.351 K(o=0.35,f=-8!) USER MOD Single : A 46 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.5) USER MOD Single : A 48 THR OG1 : rot -140:sc= -0.215 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -150:sc= -0.194 USER MOD Single : A 52 SER OG : rot 61:sc= 0.0145 USER MOD Single : A 55 SER OG : rot 105:sc= -0.815! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 30:sc= -1.1 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -2.39! C(o=-2.4!,f=-2.9!) USER MOD Single : A 70 LYS NZ :NH3+ -127:sc= -0.0151 (180deg=-0.313) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -5.65! (180deg=-8.11!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.115 F(o=-1.1,f=-0.12) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.662 1.511 -3.922 1.00 10.00 N ATOM 65 CA CYS A 5 -7.836 2.192 -2.936 1.00 10.00 C ATOM 66 C CYS A 5 -8.587 2.285 -1.608 1.00 10.00 C ATOM 67 O CYS A 5 -9.755 1.902 -1.521 1.00 10.00 O ATOM 68 CB CYS A 5 -7.484 3.599 -3.429 1.00 10.00 C ATOM 69 SG CYS A 5 -7.542 3.782 -5.223 1.00 10.00 S ATOM 0 HA CYS A 5 -6.917 1.625 -2.791 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -8.173 4.314 -2.978 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.484 3.856 -3.080 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.758 3.590 -5.640 1.00 10.00 H new ATOM 74 N SER A 6 -7.917 2.803 -0.585 1.00 10.00 N ATOM 75 CA SER A 6 -8.515 2.948 0.737 1.00 10.00 C ATOM 76 C SER A 6 -9.510 4.113 0.779 1.00 10.00 C ATOM 77 O SER A 6 -10.178 4.338 1.789 1.00 10.00 O ATOM 78 CB SER A 6 -7.414 3.148 1.768 1.00 10.00 C ATOM 79 OG SER A 6 -6.248 2.436 1.385 1.00 10.00 O ATOM 0 H SER A 6 -6.953 3.131 -0.647 1.00 10.00 H new ATOM 0 HA SER A 6 -9.071 2.039 0.968 1.00 10.00 H new ATOM 0 HB2 SER A 6 -7.185 4.209 1.865 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.754 2.805 2.745 1.00 10.00 H new ATOM 0 HG SER A 6 -6.198 1.595 1.886 1.00 10.00 H new ATOM 85 N ALA A 7 -9.591 4.861 -0.318 1.00 10.00 N ATOM 86 CA ALA A 7 -10.522 5.978 -0.418 1.00 10.00 C ATOM 87 C ALA A 7 -11.941 5.442 -0.563 1.00 10.00 C ATOM 88 O ALA A 7 -12.142 4.243 -0.733 1.00 10.00 O ATOM 89 CB ALA A 7 -10.162 6.868 -1.597 1.00 10.00 C ATOM 0 H ALA A 7 -9.021 4.712 -1.151 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.459 6.580 0.488 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.868 7.697 -1.656 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -9.153 7.259 -1.463 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.206 6.287 -2.518 1.00 10.00 H new ATOM 95 N TYR A 8 -12.925 6.317 -0.551 1.00 10.00 N ATOM 96 CA TYR A 8 -14.295 5.868 -0.657 1.00 10.00 C ATOM 97 C TYR A 8 -14.842 6.118 -2.062 1.00 10.00 C ATOM 98 O TYR A 8 -15.145 7.237 -2.455 1.00 10.00 O ATOM 99 CB TYR A 8 -15.173 6.518 0.425 1.00 10.00 C ATOM 100 CG TYR A 8 -15.264 8.025 0.369 1.00 10.00 C ATOM 101 CD1 TYR A 8 -14.345 8.827 1.033 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.282 8.643 -0.342 1.00 10.00 C ATOM 103 CE1 TYR A 8 -14.438 10.202 0.982 1.00 10.00 C ATOM 104 CE2 TYR A 8 -16.382 10.012 -0.397 1.00 10.00 C ATOM 105 CZ TYR A 8 -15.459 10.790 0.264 1.00 10.00 C ATOM 106 OH TYR A 8 -15.559 12.158 0.212 1.00 10.00 O ATOM 0 H TYR A 8 -12.805 7.327 -0.470 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.318 4.792 -0.486 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -16.180 6.107 0.347 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.787 6.231 1.403 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -13.547 8.368 1.597 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -17.009 8.037 -0.862 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -13.716 10.815 1.501 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -17.181 10.476 -0.956 1.00 10.00 H new ATOM 0 HH TYR A 8 -16.332 12.409 -0.336 1.00 10.00 H new ATOM 116 N GLY A 9 -14.887 5.056 -2.838 1.00 10.00 N ATOM 117 CA GLY A 9 -15.418 5.137 -4.184 1.00 10.00 C ATOM 118 C GLY A 9 -14.358 5.042 -5.269 1.00 10.00 C ATOM 119 O GLY A 9 -14.673 4.737 -6.420 1.00 10.00 O ATOM 0 H GLY A 9 -14.564 4.129 -2.562 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -16.144 4.336 -4.327 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.956 6.078 -4.296 1.00 10.00 H new ATOM 123 N CYS A 10 -13.103 5.279 -4.908 1.00 10.00 N ATOM 124 CA CYS A 10 -12.008 5.241 -5.868 1.00 10.00 C ATOM 125 C CYS A 10 -11.560 3.820 -6.202 1.00 10.00 C ATOM 126 O CYS A 10 -10.502 3.373 -5.762 1.00 10.00 O ATOM 127 CB CYS A 10 -10.810 6.045 -5.360 1.00 10.00 C ATOM 128 SG CYS A 10 -9.462 6.160 -6.554 1.00 10.00 S ATOM 0 H CYS A 10 -12.818 5.500 -3.954 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.393 5.690 -6.783 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -11.141 7.050 -5.100 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.436 5.586 -4.445 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.528 5.313 -6.237 1.00 10.00 H new ATOM 133 N LYS A 11 -12.369 3.090 -6.948 1.00 10.00 N ATOM 134 CA LYS A 11 -11.981 1.753 -7.361 1.00 10.00 C ATOM 135 C LYS A 11 -11.276 1.834 -8.715 1.00 10.00 C ATOM 136 O LYS A 11 -11.602 1.121 -9.663 1.00 10.00 O ATOM 137 CB LYS A 11 -13.174 0.795 -7.400 1.00 10.00 C ATOM 138 CG LYS A 11 -14.383 1.310 -8.159 1.00 10.00 C ATOM 139 CD LYS A 11 -15.631 0.519 -7.786 1.00 10.00 C ATOM 140 CE LYS A 11 -15.394 -0.987 -7.869 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.611 -1.764 -7.509 1.00 10.00 N ATOM 0 H LYS A 11 -13.286 3.394 -7.277 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.291 1.343 -6.623 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -12.853 -0.144 -7.851 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.474 0.570 -6.377 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.536 2.366 -7.936 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.205 1.233 -9.232 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.940 0.783 -6.775 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -16.449 0.795 -8.451 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.082 -1.250 -8.880 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.577 -1.263 -7.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.406 -2.781 -7.578 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.895 -1.534 -6.535 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -17.384 -1.521 -8.161 1.00 10.00 H new ATOM 155 N ASN A 12 -10.290 2.719 -8.769 1.00 10.00 N ATOM 156 CA ASN A 12 -9.501 2.973 -9.971 1.00 10.00 C ATOM 157 C ASN A 12 -8.391 1.956 -10.126 1.00 10.00 C ATOM 158 O ASN A 12 -7.224 2.324 -10.270 1.00 10.00 O ATOM 159 CB ASN A 12 -8.883 4.354 -9.907 1.00 10.00 C ATOM 160 CG ASN A 12 -9.902 5.468 -10.069 1.00 10.00 C ATOM 161 OD1 ASN A 12 -11.023 5.240 -10.521 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.520 6.687 -9.719 1.00 10.00 N ATOM 0 H ASN A 12 -10.011 3.289 -7.970 1.00 10.00 H new ATOM 0 HA ASN A 12 -10.174 2.899 -10.825 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.371 4.473 -8.952 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -8.127 4.444 -10.687 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -10.163 7.472 -9.821 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.583 6.841 -9.347 1.00 10.00 H new ATOM 169 N ARG A 13 -8.770 0.699 -10.006 1.00 10.00 N ATOM 170 CA ARG A 13 -7.863 -0.450 -10.143 1.00 10.00 C ATOM 171 C ARG A 13 -6.761 -0.164 -11.173 1.00 10.00 C ATOM 172 O ARG A 13 -7.067 0.246 -12.294 1.00 10.00 O ATOM 173 CB ARG A 13 -8.686 -1.695 -10.548 1.00 10.00 C ATOM 174 CG ARG A 13 -7.986 -2.693 -11.480 1.00 10.00 C ATOM 175 CD ARG A 13 -6.736 -3.294 -10.856 1.00 10.00 C ATOM 176 NE ARG A 13 -6.669 -4.745 -11.030 1.00 10.00 N ATOM 177 CZ ARG A 13 -5.527 -5.441 -11.086 1.00 10.00 C ATOM 178 NH1 ARG A 13 -4.355 -4.812 -11.067 1.00 10.00 N ATOM 179 NH2 ARG A 13 -5.553 -6.767 -11.178 1.00 10.00 N ATOM 0 H ARG A 13 -9.734 0.430 -9.807 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.372 -0.635 -9.188 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -8.980 -2.222 -9.640 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -9.602 -1.358 -11.032 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.680 -3.493 -11.738 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -7.719 -2.191 -12.410 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -5.854 -2.836 -11.303 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.714 -3.057 -9.792 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.547 -5.258 -11.114 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -4.323 -3.794 -11.009 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -3.488 -5.348 -11.110 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -6.446 -7.259 -11.206 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -4.680 -7.292 -11.220 1.00 10.00 H new ATOM 193 N TYR A 14 -5.495 -0.387 -10.758 1.00 10.00 N ATOM 194 CA TYR A 14 -4.295 -0.165 -11.592 1.00 10.00 C ATOM 195 C TYR A 14 -4.582 -0.215 -13.088 1.00 10.00 C ATOM 196 O TYR A 14 -4.855 -1.276 -13.655 1.00 10.00 O ATOM 197 CB TYR A 14 -3.219 -1.206 -11.269 1.00 10.00 C ATOM 198 CG TYR A 14 -1.811 -0.656 -11.132 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.252 0.173 -12.102 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.035 -0.982 -10.027 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.036 0.660 -11.968 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.251 -0.501 -9.888 1.00 10.00 C ATOM 203 CZ TYR A 14 0.783 0.321 -10.861 1.00 10.00 C ATOM 204 OH TYR A 14 2.067 0.799 -10.727 1.00 10.00 O ATOM 0 H TYR A 14 -5.276 -0.730 -9.823 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.948 0.840 -11.351 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.488 -1.708 -10.340 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.222 -1.964 -12.053 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.833 0.440 -12.972 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.446 -1.624 -9.262 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.454 1.303 -12.728 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.839 -0.767 -9.022 1.00 10.00 H new ATOM 0 HH TYR A 14 2.454 0.467 -9.890 1.00 10.00 H new ATOM 214 N ASP A 15 -4.531 0.944 -13.709 1.00 10.00 N ATOM 215 CA ASP A 15 -4.752 1.069 -15.132 1.00 10.00 C ATOM 216 C ASP A 15 -3.570 1.798 -15.727 1.00 10.00 C ATOM 217 O ASP A 15 -3.395 2.990 -15.501 1.00 10.00 O ATOM 218 CB ASP A 15 -6.052 1.825 -15.409 1.00 10.00 C ATOM 219 CG ASP A 15 -6.270 2.130 -16.878 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.831 1.335 -17.731 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.890 3.170 -17.184 1.00 10.00 O ATOM 0 H ASP A 15 -4.335 1.828 -13.239 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.846 0.082 -15.586 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.892 1.236 -15.039 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -6.047 2.760 -14.848 1.00 10.00 H new ATOM 226 N LYS A 16 -2.753 1.060 -16.458 1.00 10.00 N ATOM 227 CA LYS A 16 -1.555 1.599 -17.088 1.00 10.00 C ATOM 228 C LYS A 16 -1.874 2.791 -17.985 1.00 10.00 C ATOM 229 O LYS A 16 -1.020 3.646 -18.234 1.00 10.00 O ATOM 230 CB LYS A 16 -0.879 0.498 -17.907 1.00 10.00 C ATOM 231 CG LYS A 16 -0.963 0.708 -19.414 1.00 10.00 C ATOM 232 CD LYS A 16 -0.800 -0.595 -20.171 1.00 10.00 C ATOM 233 CE LYS A 16 -1.258 -0.458 -21.613 1.00 10.00 C ATOM 234 NZ LYS A 16 -2.728 -0.636 -21.751 1.00 10.00 N ATOM 0 H LYS A 16 -2.900 0.066 -16.633 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.885 1.949 -16.303 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.170 0.435 -17.617 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.337 -0.459 -17.658 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.923 1.158 -19.666 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.190 1.410 -19.727 1.00 10.00 H new ATOM 0 HD2 LYS A 16 0.245 -0.903 -20.147 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -1.375 -1.379 -19.678 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -0.975 0.524 -21.991 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -0.744 -1.197 -22.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -2.944 -1.019 -22.693 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.068 -1.296 -21.022 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.201 0.283 -21.634 1.00 10.00 H new ATOM 248 N ASP A 17 -3.098 2.838 -18.475 1.00 10.00 N ATOM 249 CA ASP A 17 -3.522 3.907 -19.354 1.00 10.00 C ATOM 250 C ASP A 17 -3.664 5.207 -18.576 1.00 10.00 C ATOM 251 O ASP A 17 -3.428 6.296 -19.104 1.00 10.00 O ATOM 252 CB ASP A 17 -4.843 3.539 -20.027 1.00 10.00 C ATOM 253 CG ASP A 17 -4.667 2.502 -21.118 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.087 1.431 -20.846 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.108 2.756 -22.257 1.00 10.00 O ATOM 0 H ASP A 17 -3.818 2.144 -18.277 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.765 4.049 -20.125 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.536 3.159 -19.277 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.293 4.436 -20.452 1.00 10.00 H new ATOM 260 N LYS A 18 -4.021 5.071 -17.309 1.00 10.00 N ATOM 261 CA LYS A 18 -4.203 6.212 -16.432 1.00 10.00 C ATOM 262 C LYS A 18 -2.901 6.481 -15.672 1.00 10.00 C ATOM 263 O LYS A 18 -2.138 5.556 -15.384 1.00 10.00 O ATOM 264 CB LYS A 18 -5.379 5.957 -15.474 1.00 10.00 C ATOM 265 CG LYS A 18 -4.991 5.370 -14.130 1.00 10.00 C ATOM 266 CD LYS A 18 -6.216 4.933 -13.339 1.00 10.00 C ATOM 267 CE LYS A 18 -7.072 6.115 -12.922 1.00 10.00 C ATOM 268 NZ LYS A 18 -8.187 6.364 -13.873 1.00 10.00 N ATOM 0 H LYS A 18 -4.192 4.170 -16.863 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.444 7.098 -17.019 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.902 6.898 -15.306 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.084 5.282 -15.959 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.330 4.516 -14.281 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.431 6.109 -13.557 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.812 4.248 -13.942 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.899 4.384 -12.452 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.479 5.934 -11.927 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.449 7.007 -12.854 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.283 7.387 -14.036 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.987 5.887 -14.775 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -9.073 5.993 -13.474 1.00 10.00 H new ATOM 282 N PRO A 19 -2.606 7.748 -15.355 1.00 10.00 N ATOM 283 CA PRO A 19 -1.377 8.101 -14.658 1.00 10.00 C ATOM 284 C PRO A 19 -1.483 8.025 -13.135 1.00 10.00 C ATOM 285 O PRO A 19 -1.605 9.047 -12.460 1.00 10.00 O ATOM 286 CB PRO A 19 -1.155 9.544 -15.105 1.00 10.00 C ATOM 287 CG PRO A 19 -2.523 10.099 -15.333 1.00 10.00 C ATOM 288 CD PRO A 19 -3.424 8.934 -15.672 1.00 10.00 C ATOM 0 HA PRO A 19 -0.567 7.412 -14.895 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.621 10.114 -14.345 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.556 9.587 -16.015 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.882 10.617 -14.444 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.513 10.827 -16.144 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.342 8.955 -15.084 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.717 8.948 -16.722 1.00 10.00 H new ATOM 296 N VAL A 20 -1.443 6.809 -12.598 1.00 10.00 N ATOM 297 CA VAL A 20 -1.473 6.603 -11.153 1.00 10.00 C ATOM 298 C VAL A 20 -0.637 5.383 -10.792 1.00 10.00 C ATOM 299 O VAL A 20 -0.708 4.344 -11.454 1.00 10.00 O ATOM 300 CB VAL A 20 -2.905 6.439 -10.542 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.875 7.478 -11.071 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.468 5.035 -10.741 1.00 10.00 C ATOM 0 H VAL A 20 -1.390 5.949 -13.144 1.00 10.00 H new ATOM 0 HA VAL A 20 -1.062 7.515 -10.721 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.789 6.600 -9.470 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.855 7.324 -10.619 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.512 8.475 -10.821 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.956 7.382 -12.154 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.462 4.976 -10.299 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.531 4.816 -11.807 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.813 4.309 -10.260 1.00 10.00 H new ATOM 312 N SER A 21 0.199 5.533 -9.787 1.00 10.00 N ATOM 313 CA SER A 21 1.022 4.436 -9.321 1.00 10.00 C ATOM 314 C SER A 21 0.478 3.959 -7.982 1.00 10.00 C ATOM 315 O SER A 21 -0.285 4.682 -7.332 1.00 10.00 O ATOM 316 CB SER A 21 2.473 4.899 -9.188 1.00 10.00 C ATOM 317 OG SER A 21 2.758 5.922 -10.128 1.00 10.00 O ATOM 0 H SER A 21 0.327 6.406 -9.275 1.00 10.00 H new ATOM 0 HA SER A 21 0.996 3.611 -10.033 1.00 10.00 H new ATOM 0 HB2 SER A 21 2.652 5.266 -8.177 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.145 4.056 -9.345 1.00 10.00 H new ATOM 0 HG SER A 21 3.690 6.208 -10.028 1.00 10.00 H new ATOM 323 N PHE A 22 0.864 2.772 -7.550 1.00 10.00 N ATOM 324 CA PHE A 22 0.365 2.254 -6.288 1.00 10.00 C ATOM 325 C PHE A 22 1.465 2.262 -5.223 1.00 10.00 C ATOM 326 O PHE A 22 2.641 2.472 -5.519 1.00 10.00 O ATOM 327 CB PHE A 22 -0.246 0.855 -6.484 1.00 10.00 C ATOM 328 CG PHE A 22 -1.747 0.873 -6.667 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.312 1.189 -7.896 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.593 0.562 -5.614 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.688 1.197 -8.065 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.966 0.565 -5.780 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.513 0.881 -7.005 1.00 10.00 C ATOM 0 H PHE A 22 1.510 2.157 -8.044 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.430 2.908 -5.929 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.213 0.386 -7.354 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.000 0.236 -5.621 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.671 1.432 -8.731 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.174 0.314 -4.650 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.114 1.450 -9.025 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.610 0.319 -4.949 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.585 0.881 -7.135 1.00 10.00 H new ATOM 343 N HIS A 23 1.037 2.150 -3.974 1.00 10.00 N ATOM 344 CA HIS A 23 1.928 2.152 -2.801 1.00 10.00 C ATOM 345 C HIS A 23 1.225 1.481 -1.659 1.00 10.00 C ATOM 346 O HIS A 23 0.090 1.104 -1.795 1.00 10.00 O ATOM 347 CB HIS A 23 2.266 3.562 -2.311 1.00 10.00 C ATOM 348 CG HIS A 23 1.895 4.653 -3.242 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.647 5.512 -3.964 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.593 4.934 -3.539 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.776 6.290 -4.682 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.544 5.911 -4.399 1.00 10.00 N flip ATOM 0 H HIS A 23 0.050 2.053 -3.733 1.00 10.00 H new ATOM 0 HA HIS A 23 2.843 1.645 -3.107 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.763 3.730 -1.359 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.338 3.617 -2.119 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.665 5.570 -3.973 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.265 4.425 -3.125 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.052 7.080 -5.365 1.00 10.00 H new ATOM 361 N LYS A 24 1.890 1.339 -0.541 1.00 10.00 N ATOM 362 CA LYS A 24 1.277 0.744 0.622 1.00 10.00 C ATOM 363 C LYS A 24 1.187 1.811 1.725 1.00 10.00 C ATOM 364 O LYS A 24 1.800 2.871 1.592 1.00 10.00 O ATOM 365 CB LYS A 24 2.099 -0.455 1.082 1.00 10.00 C ATOM 366 CG LYS A 24 2.073 -1.599 0.083 1.00 10.00 C ATOM 367 CD LYS A 24 1.104 -2.686 0.514 1.00 10.00 C ATOM 368 CE LYS A 24 1.831 -3.969 0.877 1.00 10.00 C ATOM 369 NZ LYS A 24 3.073 -3.710 1.653 1.00 10.00 N ATOM 0 H LYS A 24 2.859 1.628 -0.410 1.00 10.00 H new ATOM 0 HA LYS A 24 0.274 0.389 0.386 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.131 -0.143 1.244 1.00 10.00 H new ATOM 0 HB3 LYS A 24 1.717 -0.806 2.041 1.00 10.00 H new ATOM 0 HG2 LYS A 24 1.786 -1.221 -0.898 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.074 -2.020 -0.018 1.00 10.00 H new ATOM 0 HD2 LYS A 24 0.525 -2.340 1.370 1.00 10.00 H new ATOM 0 HD3 LYS A 24 0.396 -2.883 -0.291 1.00 10.00 H new ATOM 0 HE2 LYS A 24 1.167 -4.608 1.459 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.080 -4.514 -0.034 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 3.267 -4.518 2.278 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.871 -3.580 0.998 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 2.951 -2.851 2.226 1.00 10.00 H new ATOM 383 N PHE A 25 0.413 1.565 2.780 1.00 10.00 N ATOM 384 CA PHE A 25 0.287 2.534 3.884 1.00 10.00 C ATOM 385 C PHE A 25 1.645 2.809 4.539 1.00 10.00 C ATOM 386 O PHE A 25 2.551 1.974 4.470 1.00 10.00 O ATOM 387 CB PHE A 25 -0.640 1.997 4.980 1.00 10.00 C ATOM 388 CG PHE A 25 -2.052 2.540 4.970 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.954 2.149 4.009 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.476 3.422 5.949 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.252 2.631 4.008 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.769 3.903 5.961 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.658 3.509 4.986 1.00 10.00 C ATOM 0 H PHE A 25 -0.135 0.713 2.900 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.118 3.448 3.449 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.687 0.912 4.891 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.192 2.218 5.949 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.645 1.454 3.242 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.784 3.739 6.715 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.945 2.318 3.241 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.084 4.588 6.734 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.669 3.888 4.989 1.00 10.00 H new ATOM 403 N PRO A 26 1.799 3.986 5.187 1.00 10.00 N ATOM 404 CA PRO A 26 3.026 4.346 5.913 1.00 10.00 C ATOM 405 C PRO A 26 3.159 3.484 7.163 1.00 10.00 C ATOM 406 O PRO A 26 2.910 3.938 8.279 1.00 10.00 O ATOM 407 CB PRO A 26 2.782 5.804 6.305 1.00 10.00 C ATOM 408 CG PRO A 26 1.304 5.918 6.370 1.00 10.00 C ATOM 409 CD PRO A 26 0.801 5.068 5.246 1.00 10.00 C ATOM 0 HA PRO A 26 3.935 4.203 5.329 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.243 6.042 7.264 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.203 6.490 5.570 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.923 5.569 7.330 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.982 6.953 6.257 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.200 4.685 5.444 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.750 5.624 4.310 1.00 10.00 H new ATOM 417 N LEU A 27 3.541 2.235 6.965 1.00 10.00 N ATOM 418 CA LEU A 27 3.661 1.281 8.050 1.00 10.00 C ATOM 419 C LEU A 27 4.804 1.636 8.973 1.00 10.00 C ATOM 420 O LEU A 27 4.830 1.243 10.139 1.00 10.00 O ATOM 421 CB LEU A 27 3.854 -0.117 7.474 1.00 10.00 C ATOM 422 CG LEU A 27 2.565 -0.785 7.003 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.842 -2.181 6.465 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.566 -0.833 8.147 1.00 10.00 C ATOM 0 H LEU A 27 3.776 1.855 6.048 1.00 10.00 H new ATOM 0 HA LEU A 27 2.745 1.309 8.640 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.547 -0.059 6.635 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.321 -0.748 8.230 1.00 10.00 H new ATOM 0 HG LEU A 27 2.141 -0.197 6.189 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.908 -2.636 6.136 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.531 -2.116 5.623 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.286 -2.792 7.251 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.647 -1.310 7.808 1.00 10.00 H new ATOM 0 HD22 LEU A 27 1.987 -1.404 8.974 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.346 0.181 8.481 1.00 10.00 H new ATOM 436 N THR A 28 5.742 2.386 8.450 1.00 10.00 N ATOM 437 CA THR A 28 6.898 2.787 9.213 1.00 10.00 C ATOM 438 C THR A 28 6.661 4.116 9.918 1.00 10.00 C ATOM 439 O THR A 28 7.555 4.665 10.567 1.00 10.00 O ATOM 440 CB THR A 28 8.115 2.854 8.285 1.00 10.00 C ATOM 441 OG1 THR A 28 7.889 3.840 7.268 1.00 10.00 O ATOM 442 CG2 THR A 28 8.325 1.496 7.634 1.00 10.00 C ATOM 0 H THR A 28 5.727 2.734 7.491 1.00 10.00 H new ATOM 0 HA THR A 28 7.087 2.048 9.991 1.00 10.00 H new ATOM 0 HB THR A 28 8.999 3.125 8.862 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.669 3.884 6.676 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.190 1.539 6.973 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.495 0.745 8.406 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.440 1.229 7.057 1.00 10.00 H new ATOM 450 N ARG A 29 5.442 4.628 9.797 1.00 10.00 N ATOM 451 CA ARG A 29 5.062 5.863 10.447 1.00 10.00 C ATOM 452 C ARG A 29 3.599 5.756 10.861 1.00 10.00 C ATOM 453 O ARG A 29 2.742 6.461 10.334 1.00 10.00 O ATOM 454 CB ARG A 29 5.295 7.050 9.511 1.00 10.00 C ATOM 455 CG ARG A 29 5.227 8.397 10.208 1.00 10.00 C ATOM 456 CD ARG A 29 5.781 9.510 9.337 1.00 10.00 C ATOM 457 NE ARG A 29 6.886 10.213 9.986 1.00 10.00 N ATOM 458 CZ ARG A 29 8.028 10.556 9.387 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.222 10.293 8.098 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.970 11.184 10.089 1.00 10.00 N ATOM 0 H ARG A 29 4.698 4.197 9.248 1.00 10.00 H new ATOM 0 HA ARG A 29 5.674 6.029 11.334 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.272 6.943 9.039 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.552 7.025 8.714 1.00 10.00 H new ATOM 0 HG2 ARG A 29 4.192 8.620 10.468 1.00 10.00 H new ATOM 0 HG3 ARG A 29 5.788 8.352 11.141 1.00 10.00 H new ATOM 0 HD2 ARG A 29 6.123 9.093 8.390 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.986 10.219 9.105 1.00 10.00 H new ATOM 0 HE ARG A 29 6.776 10.460 10.970 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.494 9.825 7.558 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.099 10.559 7.649 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.814 11.398 11.074 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.847 11.451 9.641 1.00 10.00 H new ATOM 474 N PRO A 30 3.300 4.834 11.798 1.00 10.00 N ATOM 475 CA PRO A 30 1.943 4.567 12.279 1.00 10.00 C ATOM 476 C PRO A 30 1.116 5.807 12.606 1.00 10.00 C ATOM 477 O PRO A 30 0.002 5.927 12.132 1.00 10.00 O ATOM 478 CB PRO A 30 2.145 3.759 13.552 1.00 10.00 C ATOM 479 CG PRO A 30 3.619 3.692 13.787 1.00 10.00 C ATOM 480 CD PRO A 30 4.267 3.947 12.461 1.00 10.00 C ATOM 0 HA PRO A 30 1.380 4.063 11.493 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.640 4.231 14.395 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.724 2.759 13.447 1.00 10.00 H new ATOM 0 HG2 PRO A 30 3.930 4.435 14.521 1.00 10.00 H new ATOM 0 HG3 PRO A 30 3.906 2.717 14.179 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.243 4.421 12.571 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.422 3.025 11.901 1.00 10.00 H new ATOM 488 N SER A 31 1.640 6.703 13.438 1.00 10.00 N ATOM 489 CA SER A 31 0.919 7.924 13.800 1.00 10.00 C ATOM 490 C SER A 31 0.400 8.603 12.539 1.00 10.00 C ATOM 491 O SER A 31 -0.786 8.912 12.416 1.00 10.00 O ATOM 492 CB SER A 31 1.857 8.850 14.571 1.00 10.00 C ATOM 493 OG SER A 31 3.044 8.163 14.935 1.00 10.00 O ATOM 0 H SER A 31 2.557 6.609 13.874 1.00 10.00 H new ATOM 0 HA SER A 31 0.066 7.682 14.434 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.105 9.718 13.960 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.357 9.222 15.465 1.00 10.00 H new ATOM 0 HG SER A 31 3.657 8.141 14.171 1.00 10.00 H new ATOM 499 N LEU A 32 1.292 8.765 11.583 1.00 10.00 N ATOM 500 CA LEU A 32 0.960 9.363 10.309 1.00 10.00 C ATOM 501 C LEU A 32 -0.025 8.460 9.575 1.00 10.00 C ATOM 502 O LEU A 32 -0.980 8.925 8.964 1.00 10.00 O ATOM 503 CB LEU A 32 2.257 9.554 9.513 1.00 10.00 C ATOM 504 CG LEU A 32 2.183 10.370 8.229 1.00 10.00 C ATOM 505 CD1 LEU A 32 2.078 9.468 7.022 1.00 10.00 C ATOM 506 CD2 LEU A 32 1.031 11.336 8.279 1.00 10.00 C ATOM 0 H LEU A 32 2.269 8.485 11.669 1.00 10.00 H new ATOM 0 HA LEU A 32 0.486 10.336 10.441 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.988 10.026 10.170 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.645 8.567 9.262 1.00 10.00 H new ATOM 0 HG LEU A 32 3.105 10.945 8.139 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.027 10.075 6.118 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.953 8.820 6.975 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.178 8.858 7.101 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.996 11.909 7.352 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.099 10.784 8.400 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.162 12.016 9.121 1.00 10.00 H new ATOM 518 N CYS A 33 0.165 7.161 9.728 1.00 10.00 N ATOM 519 CA CYS A 33 -0.687 6.174 9.086 1.00 10.00 C ATOM 520 C CYS A 33 -2.107 6.354 9.580 1.00 10.00 C ATOM 521 O CYS A 33 -3.084 6.235 8.842 1.00 10.00 O ATOM 522 CB CYS A 33 -0.187 4.789 9.490 1.00 10.00 C ATOM 523 SG CYS A 33 -0.937 3.395 8.624 1.00 10.00 S ATOM 0 H CYS A 33 0.911 6.762 10.298 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.662 6.288 8.002 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.891 4.753 9.331 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.356 4.661 10.559 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.328 3.776 7.444 1.00 10.00 H new ATOM 529 N LYS A 34 -2.174 6.718 10.838 1.00 10.00 N ATOM 530 CA LYS A 34 -3.407 6.895 11.543 1.00 10.00 C ATOM 531 C LYS A 34 -4.213 8.085 11.032 1.00 10.00 C ATOM 532 O LYS A 34 -5.445 8.025 11.029 1.00 10.00 O ATOM 533 CB LYS A 34 -3.075 7.020 13.020 1.00 10.00 C ATOM 534 CG LYS A 34 -4.108 7.740 13.853 1.00 10.00 C ATOM 535 CD LYS A 34 -3.410 8.645 14.846 1.00 10.00 C ATOM 536 CE LYS A 34 -4.179 8.731 16.153 1.00 10.00 C ATOM 537 NZ LYS A 34 -5.347 9.650 16.057 1.00 10.00 N ATOM 0 H LYS A 34 -1.348 6.902 11.408 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.051 6.032 11.374 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.934 6.020 13.430 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.123 7.542 13.119 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.766 8.325 13.211 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.734 7.019 14.379 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.404 8.270 15.038 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.303 9.642 14.419 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.523 7.736 16.437 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -3.512 9.075 16.944 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -5.843 9.678 16.971 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -5.018 10.606 15.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -5.998 9.309 15.321 1.00 10.00 H new ATOM 551 N GLU A 35 -3.571 9.161 10.556 1.00 10.00 N ATOM 552 CA GLU A 35 -4.385 10.275 10.081 1.00 10.00 C ATOM 553 C GLU A 35 -5.026 9.906 8.769 1.00 10.00 C ATOM 554 O GLU A 35 -6.021 10.503 8.374 1.00 10.00 O ATOM 555 CB GLU A 35 -3.663 11.613 9.943 1.00 10.00 C ATOM 556 CG GLU A 35 -2.183 11.529 9.662 1.00 10.00 C ATOM 557 CD GLU A 35 -1.482 12.852 9.912 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.804 13.851 9.228 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.623 12.905 10.812 1.00 10.00 O ATOM 0 H GLU A 35 -2.560 9.279 10.493 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.128 10.437 10.862 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.135 12.179 9.140 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.809 12.181 10.862 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.738 10.758 10.291 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.027 11.226 8.627 1.00 10.00 H new ATOM 566 N TRP A 36 -4.478 8.900 8.094 1.00 10.00 N ATOM 567 CA TRP A 36 -5.069 8.471 6.850 1.00 10.00 C ATOM 568 C TRP A 36 -6.459 7.952 7.159 1.00 10.00 C ATOM 569 O TRP A 36 -7.392 8.163 6.389 1.00 10.00 O ATOM 570 CB TRP A 36 -4.206 7.419 6.144 1.00 10.00 C ATOM 571 CG TRP A 36 -2.876 7.952 5.683 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.141 8.935 6.281 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.128 7.540 4.529 1.00 10.00 C ATOM 574 NE1 TRP A 36 -0.995 9.174 5.570 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.954 8.326 4.496 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.329 6.591 3.519 1.00 10.00 C ATOM 577 CZ2 TRP A 36 0.008 8.189 3.498 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.371 6.458 2.528 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.215 7.254 2.526 1.00 10.00 C ATOM 0 H TRP A 36 -3.648 8.384 8.385 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.133 9.309 6.156 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.039 6.582 6.822 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.751 7.029 5.284 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.423 9.451 7.187 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.287 9.871 5.803 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.215 5.974 3.513 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.899 8.800 3.492 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.516 5.730 1.744 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.514 7.125 1.740 1.00 10.00 H new ATOM 590 N GLU A 37 -6.613 7.382 8.361 1.00 10.00 N ATOM 591 CA GLU A 37 -7.903 6.863 8.788 1.00 10.00 C ATOM 592 C GLU A 37 -8.885 8.027 8.900 1.00 10.00 C ATOM 593 O GLU A 37 -10.068 7.895 8.588 1.00 10.00 O ATOM 594 CB GLU A 37 -7.796 6.148 10.143 1.00 10.00 C ATOM 595 CG GLU A 37 -6.566 5.266 10.306 1.00 10.00 C ATOM 596 CD GLU A 37 -6.703 3.891 9.687 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.381 3.029 10.285 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.095 3.647 8.628 1.00 10.00 O ATOM 0 H GLU A 37 -5.863 7.273 9.044 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.251 6.137 8.053 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.795 6.898 10.934 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.686 5.535 10.286 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.709 5.770 9.859 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.351 5.154 11.369 1.00 10.00 H new ATOM 605 N ALA A 38 -8.350 9.190 9.285 1.00 10.00 N ATOM 606 CA ALA A 38 -9.134 10.406 9.458 1.00 10.00 C ATOM 607 C ALA A 38 -9.764 10.838 8.146 1.00 10.00 C ATOM 608 O ALA A 38 -10.816 11.477 8.130 1.00 10.00 O ATOM 609 CB ALA A 38 -8.268 11.521 10.022 1.00 10.00 C ATOM 0 H ALA A 38 -7.357 9.310 9.485 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.935 10.194 10.166 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.869 12.422 10.145 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.868 11.217 10.989 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.445 11.725 9.337 1.00 10.00 H new ATOM 615 N ALA A 39 -9.120 10.482 7.042 1.00 10.00 N ATOM 616 CA ALA A 39 -9.638 10.825 5.734 1.00 10.00 C ATOM 617 C ALA A 39 -10.617 9.749 5.284 1.00 10.00 C ATOM 618 O ALA A 39 -11.522 10.000 4.487 1.00 10.00 O ATOM 619 CB ALA A 39 -8.508 11.003 4.736 1.00 10.00 C ATOM 0 H ALA A 39 -8.244 9.959 7.031 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.167 11.776 5.791 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.921 11.260 3.761 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.848 11.802 5.073 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.943 10.074 4.657 1.00 10.00 H new ATOM 625 N VAL A 40 -10.442 8.548 5.829 1.00 10.00 N ATOM 626 CA VAL A 40 -11.316 7.425 5.514 1.00 10.00 C ATOM 627 C VAL A 40 -12.483 7.411 6.496 1.00 10.00 C ATOM 628 O VAL A 40 -12.864 6.371 7.030 1.00 10.00 O ATOM 629 CB VAL A 40 -10.584 6.075 5.589 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.316 5.033 4.759 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.144 6.193 5.121 1.00 10.00 C ATOM 0 H VAL A 40 -9.700 8.329 6.493 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.666 7.556 4.490 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.573 5.763 6.633 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.787 4.082 4.821 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.330 4.910 5.141 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.357 5.359 3.720 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.659 5.219 5.188 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.125 6.538 4.087 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.614 6.907 5.751 1.00 10.00 H new ATOM 641 N ARG A 41 -13.034 8.586 6.725 1.00 10.00 N ATOM 642 CA ARG A 41 -14.152 8.779 7.653 1.00 10.00 C ATOM 643 C ARG A 41 -15.455 8.156 7.149 1.00 10.00 C ATOM 644 O ARG A 41 -16.512 8.350 7.750 1.00 10.00 O ATOM 645 CB ARG A 41 -14.369 10.272 7.911 1.00 10.00 C ATOM 646 CG ARG A 41 -14.875 11.037 6.694 1.00 10.00 C ATOM 647 CD ARG A 41 -13.742 11.718 5.940 1.00 10.00 C ATOM 648 NE ARG A 41 -12.931 12.568 6.815 1.00 10.00 N ATOM 649 CZ ARG A 41 -13.170 13.861 7.034 1.00 10.00 C ATOM 650 NH1 ARG A 41 -14.184 14.472 6.430 1.00 10.00 N ATOM 651 NH2 ARG A 41 -12.395 14.545 7.862 1.00 10.00 N ATOM 0 H ARG A 41 -12.723 9.446 6.273 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.883 8.270 8.579 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.083 10.391 8.726 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.430 10.715 8.243 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.396 10.352 6.025 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.601 11.785 7.012 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.107 10.961 5.480 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.156 12.321 5.132 1.00 10.00 H new ATOM 0 HE ARG A 41 -12.133 12.143 7.287 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -14.787 13.951 5.793 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -14.359 15.462 6.604 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -11.616 14.082 8.331 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.577 15.534 8.030 1.00 10.00 H new ATOM 665 N ARG A 42 -15.387 7.420 6.050 1.00 10.00 N ATOM 666 CA ARG A 42 -16.569 6.780 5.497 1.00 10.00 C ATOM 667 C ARG A 42 -16.937 5.561 6.330 1.00 10.00 C ATOM 668 O ARG A 42 -16.062 4.901 6.893 1.00 10.00 O ATOM 669 CB ARG A 42 -16.335 6.371 4.045 1.00 10.00 C ATOM 670 CG ARG A 42 -17.608 6.327 3.211 1.00 10.00 C ATOM 671 CD ARG A 42 -17.986 7.696 2.660 1.00 10.00 C ATOM 672 NE ARG A 42 -18.730 8.510 3.623 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.600 9.464 3.284 1.00 10.00 C ATOM 674 NH1 ARG A 42 -19.880 9.697 2.008 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.205 10.170 4.231 1.00 10.00 N ATOM 0 H ARG A 42 -14.528 7.252 5.526 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.392 7.494 5.523 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.635 7.070 3.588 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.863 5.389 4.025 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.474 5.629 2.384 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.426 5.945 3.821 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -17.081 8.227 2.366 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -18.587 7.567 1.760 1.00 10.00 H new ATOM 0 HE ARG A 42 -18.574 8.337 4.616 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -19.429 9.145 1.278 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -20.546 10.428 1.757 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -20.004 9.983 5.213 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -20.870 10.900 3.976 1.00 10.00 H new ATOM 689 N LYS A 43 -18.227 5.272 6.416 1.00 10.00 N ATOM 690 CA LYS A 43 -18.708 4.134 7.190 1.00 10.00 C ATOM 691 C LYS A 43 -18.132 2.826 6.664 1.00 10.00 C ATOM 692 O LYS A 43 -17.802 1.931 7.439 1.00 10.00 O ATOM 693 CB LYS A 43 -20.240 4.088 7.168 1.00 10.00 C ATOM 694 CG LYS A 43 -20.818 3.254 6.030 1.00 10.00 C ATOM 695 CD LYS A 43 -21.890 4.005 5.262 1.00 10.00 C ATOM 696 CE LYS A 43 -23.003 3.072 4.810 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.927 3.723 3.843 1.00 10.00 N ATOM 0 H LYS A 43 -18.962 5.811 5.958 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.371 4.259 8.219 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.595 3.685 8.117 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.623 5.106 7.090 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.018 2.967 5.348 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -21.239 2.333 6.433 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.306 4.793 5.890 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -21.445 4.491 4.394 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.567 2.185 4.351 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -23.568 2.736 5.679 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.668 3.049 3.564 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.365 4.555 4.288 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -23.395 4.021 3.001 1.00 10.00 H new ATOM 711 N ASN A 44 -17.999 2.727 5.350 1.00 10.00 N ATOM 712 CA ASN A 44 -17.475 1.527 4.738 1.00 10.00 C ATOM 713 C ASN A 44 -15.966 1.641 4.541 1.00 10.00 C ATOM 714 O ASN A 44 -15.479 1.719 3.415 1.00 10.00 O ATOM 715 CB ASN A 44 -18.189 1.203 3.407 1.00 10.00 C ATOM 716 CG ASN A 44 -18.343 2.391 2.465 1.00 10.00 C ATOM 717 OD1 ASN A 44 -18.519 3.530 2.889 1.00 10.00 O ATOM 718 ND2 ASN A 44 -18.301 2.125 1.170 1.00 10.00 N ATOM 0 H ASN A 44 -18.248 3.465 4.692 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.671 0.696 5.416 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.634 0.418 2.893 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -19.178 0.801 3.629 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -18.416 2.877 0.491 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -18.153 1.168 0.851 1.00 10.00 H new ATOM 725 N PHE A 45 -15.248 1.714 5.664 1.00 10.00 N ATOM 726 CA PHE A 45 -13.786 1.791 5.661 1.00 10.00 C ATOM 727 C PHE A 45 -13.209 0.600 4.882 1.00 10.00 C ATOM 728 O PHE A 45 -13.449 -0.561 5.224 1.00 10.00 O ATOM 729 CB PHE A 45 -13.266 1.817 7.116 1.00 10.00 C ATOM 730 CG PHE A 45 -11.795 2.136 7.271 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.836 1.235 6.854 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.373 3.324 7.851 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.494 1.499 6.998 1.00 10.00 C ATOM 734 CE2 PHE A 45 -10.026 3.597 7.999 1.00 10.00 C ATOM 735 CZ PHE A 45 -9.086 2.683 7.570 1.00 10.00 C ATOM 0 H PHE A 45 -15.661 1.721 6.596 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.462 2.708 5.168 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.842 2.553 7.677 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.460 0.846 7.571 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -11.146 0.303 6.405 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.104 4.043 8.190 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.762 0.779 6.663 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.710 4.526 8.450 1.00 10.00 H new ATOM 0 HZ PHE A 45 -8.033 2.896 7.683 1.00 10.00 H new ATOM 745 N LYS A 46 -12.455 0.917 3.836 1.00 10.00 N ATOM 746 CA LYS A 46 -11.841 -0.077 2.959 1.00 10.00 C ATOM 747 C LYS A 46 -10.704 -0.831 3.666 1.00 10.00 C ATOM 748 O LYS A 46 -10.493 -0.633 4.852 1.00 10.00 O ATOM 749 CB LYS A 46 -11.361 0.636 1.695 1.00 10.00 C ATOM 750 CG LYS A 46 -12.070 0.150 0.446 1.00 10.00 C ATOM 751 CD LYS A 46 -12.770 1.274 -0.291 1.00 10.00 C ATOM 752 CE LYS A 46 -13.952 0.751 -1.087 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.638 -0.537 -1.767 1.00 10.00 N ATOM 0 H LYS A 46 -12.250 1.880 3.569 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.575 -0.837 2.689 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.521 1.709 1.805 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.288 0.483 1.582 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.347 -0.323 -0.219 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.799 -0.613 0.718 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -13.111 2.024 0.422 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.066 1.768 -0.961 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.804 0.612 -0.422 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.245 1.492 -1.831 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.287 -0.674 -2.568 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.658 -0.516 -2.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.749 -1.321 -1.093 1.00 10.00 H new ATOM 767 N PRO A 47 -9.970 -1.735 2.969 1.00 10.00 N ATOM 768 CA PRO A 47 -8.874 -2.494 3.584 1.00 10.00 C ATOM 769 C PRO A 47 -7.890 -1.642 4.367 1.00 10.00 C ATOM 770 O PRO A 47 -7.763 -0.433 4.169 1.00 10.00 O ATOM 771 CB PRO A 47 -8.192 -3.164 2.406 1.00 10.00 C ATOM 772 CG PRO A 47 -9.260 -3.303 1.382 1.00 10.00 C ATOM 773 CD PRO A 47 -10.157 -2.111 1.556 1.00 10.00 C ATOM 0 HA PRO A 47 -9.258 -3.191 4.329 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.362 -2.563 2.034 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.782 -4.135 2.685 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.837 -3.330 0.378 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.814 -4.232 1.519 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.878 -1.299 0.885 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -11.197 -2.358 1.342 1.00 10.00 H new ATOM 781 N THR A 48 -7.144 -2.329 5.203 1.00 10.00 N ATOM 782 CA THR A 48 -6.204 -1.709 6.102 1.00 10.00 C ATOM 783 C THR A 48 -4.897 -1.321 5.442 1.00 10.00 C ATOM 784 O THR A 48 -4.736 -1.390 4.224 1.00 10.00 O ATOM 785 CB THR A 48 -5.907 -2.675 7.250 1.00 10.00 C ATOM 786 OG1 THR A 48 -5.078 -3.758 6.783 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.199 -3.244 7.772 1.00 10.00 C ATOM 0 H THR A 48 -7.175 -3.346 5.276 1.00 10.00 H new ATOM 0 HA THR A 48 -6.667 -0.788 6.455 1.00 10.00 H new ATOM 0 HB THR A 48 -5.388 -2.134 8.041 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.377 -4.598 7.190 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.989 -3.933 8.590 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.834 -2.435 8.133 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.711 -3.777 6.971 1.00 10.00 H new ATOM 795 N LYS A 49 -3.955 -0.960 6.300 1.00 10.00 N ATOM 796 CA LYS A 49 -2.631 -0.535 5.897 1.00 10.00 C ATOM 797 C LYS A 49 -1.856 -1.619 5.169 1.00 10.00 C ATOM 798 O LYS A 49 -0.766 -1.360 4.663 1.00 10.00 O ATOM 799 CB LYS A 49 -1.831 -0.056 7.112 1.00 10.00 C ATOM 800 CG LYS A 49 -2.162 -0.763 8.411 1.00 10.00 C ATOM 801 CD LYS A 49 -2.563 0.245 9.478 1.00 10.00 C ATOM 802 CE LYS A 49 -3.960 0.796 9.236 1.00 10.00 C ATOM 803 NZ LYS A 49 -3.936 2.241 8.887 1.00 10.00 N ATOM 0 H LYS A 49 -4.095 -0.955 7.310 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.771 0.288 5.196 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.769 -0.187 6.904 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.001 1.013 7.243 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.973 -1.473 8.249 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.299 -1.337 8.750 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.524 -0.229 10.459 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.846 1.066 9.491 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.436 0.236 8.431 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.568 0.649 10.129 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.777 2.476 8.321 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -3.936 2.809 9.758 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -3.079 2.451 8.337 1.00 10.00 H new ATOM 817 N TYR A 50 -2.379 -2.836 5.116 1.00 10.00 N ATOM 818 CA TYR A 50 -1.671 -3.867 4.408 1.00 10.00 C ATOM 819 C TYR A 50 -1.990 -3.759 2.934 1.00 10.00 C ATOM 820 O TYR A 50 -1.229 -4.211 2.087 1.00 10.00 O ATOM 821 CB TYR A 50 -2.047 -5.233 4.927 1.00 10.00 C ATOM 822 CG TYR A 50 -1.552 -5.522 6.316 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.235 -5.894 6.533 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.412 -5.478 7.401 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.212 -6.227 7.788 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.968 -5.794 8.670 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.653 -6.176 8.854 1.00 10.00 C ATOM 828 OH TYR A 50 -0.209 -6.557 10.091 1.00 10.00 O ATOM 0 H TYR A 50 -3.262 -3.118 5.542 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.600 -3.736 4.563 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.133 -5.328 4.913 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.652 -5.989 4.248 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.452 -5.923 5.700 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.443 -5.193 7.253 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.239 -6.528 7.936 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.643 -5.743 9.511 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.936 -6.464 10.742 1.00 10.00 H new ATOM 838 N SER A 51 -3.134 -3.165 2.634 1.00 10.00 N ATOM 839 CA SER A 51 -3.529 -2.973 1.263 1.00 10.00 C ATOM 840 C SER A 51 -2.717 -1.839 0.655 1.00 10.00 C ATOM 841 O SER A 51 -1.993 -1.133 1.362 1.00 10.00 O ATOM 842 CB SER A 51 -5.023 -2.713 1.163 1.00 10.00 C ATOM 843 OG SER A 51 -5.706 -3.924 0.888 1.00 10.00 O ATOM 0 H SER A 51 -3.797 -2.812 3.324 1.00 10.00 H new ATOM 0 HA SER A 51 -3.326 -3.882 0.697 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.389 -2.282 2.095 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.223 -1.986 0.376 1.00 10.00 H new ATOM 0 HG SER A 51 -6.517 -3.732 0.373 1.00 10.00 H new ATOM 849 N SER A 52 -2.830 -1.662 -0.639 1.00 10.00 N ATOM 850 CA SER A 52 -2.064 -0.654 -1.320 1.00 10.00 C ATOM 851 C SER A 52 -2.953 0.514 -1.794 1.00 10.00 C ATOM 852 O SER A 52 -4.122 0.331 -2.138 1.00 10.00 O ATOM 853 CB SER A 52 -1.292 -1.335 -2.450 1.00 10.00 C ATOM 854 OG SER A 52 -1.874 -2.609 -2.791 1.00 10.00 O ATOM 0 H SER A 52 -3.448 -2.206 -1.241 1.00 10.00 H new ATOM 0 HA SER A 52 -1.348 -0.192 -0.641 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.285 -0.690 -3.328 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.254 -1.476 -2.150 1.00 10.00 H new ATOM 0 HG SER A 52 -2.796 -2.476 -3.096 1.00 10.00 H new ATOM 860 N ILE A 53 -2.372 1.716 -1.780 1.00 10.00 N ATOM 861 CA ILE A 53 -3.064 2.949 -2.136 1.00 10.00 C ATOM 862 C ILE A 53 -2.479 3.506 -3.442 1.00 10.00 C ATOM 863 O ILE A 53 -1.390 3.111 -3.834 1.00 10.00 O ATOM 864 CB ILE A 53 -2.929 3.988 -0.974 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.551 3.448 0.321 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.576 5.313 -1.325 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.709 2.413 1.043 1.00 10.00 C ATOM 0 H ILE A 53 -1.397 1.858 -1.518 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.124 2.745 -2.289 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.862 4.153 -0.822 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.734 4.284 0.997 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.521 3.009 0.087 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.460 6.006 -0.492 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.097 5.728 -2.212 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.637 5.159 -1.524 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.227 2.088 1.946 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.547 1.556 0.390 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.748 2.850 1.313 1.00 10.00 H new ATOM 879 N CYS A 54 -3.167 4.437 -4.102 1.00 10.00 N ATOM 880 CA CYS A 54 -2.684 4.974 -5.368 1.00 10.00 C ATOM 881 C CYS A 54 -2.345 6.478 -5.283 1.00 10.00 C ATOM 882 O CYS A 54 -2.824 7.194 -4.405 1.00 10.00 O ATOM 883 CB CYS A 54 -3.695 4.674 -6.470 1.00 10.00 C ATOM 884 SG CYS A 54 -5.259 5.533 -6.289 1.00 10.00 S ATOM 0 H CYS A 54 -4.052 4.830 -3.783 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.745 4.478 -5.612 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.257 4.940 -7.432 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.884 3.601 -6.492 1.00 10.00 H new ATOM 0 HG CYS A 54 -6.162 4.704 -5.855 1.00 10.00 H new ATOM 889 N SER A 55 -1.484 6.899 -6.217 1.00 10.00 N ATOM 890 CA SER A 55 -0.922 8.263 -6.323 1.00 10.00 C ATOM 891 C SER A 55 -1.908 9.417 -6.133 1.00 10.00 C ATOM 892 O SER A 55 -1.721 10.238 -5.240 1.00 10.00 O ATOM 893 CB SER A 55 -0.236 8.387 -7.687 1.00 10.00 C ATOM 894 OG SER A 55 0.376 9.645 -7.852 1.00 10.00 O ATOM 0 H SER A 55 -1.142 6.279 -6.952 1.00 10.00 H new ATOM 0 HA SER A 55 -0.229 8.367 -5.488 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.513 7.602 -7.790 1.00 10.00 H new ATOM 0 HB3 SER A 55 -0.970 8.233 -8.478 1.00 10.00 H new ATOM 0 HG SER A 55 1.347 9.552 -7.754 1.00 10.00 H new ATOM 900 N GLU A 56 -2.909 9.480 -7.003 1.00 10.00 N ATOM 901 CA GLU A 56 -3.947 10.529 -7.018 1.00 10.00 C ATOM 902 C GLU A 56 -4.460 10.979 -5.644 1.00 10.00 C ATOM 903 O GLU A 56 -5.077 12.031 -5.539 1.00 10.00 O ATOM 904 CB GLU A 56 -5.129 10.012 -7.834 1.00 10.00 C ATOM 905 CG GLU A 56 -5.233 8.498 -7.789 1.00 10.00 C ATOM 906 CD GLU A 56 -6.645 7.970 -7.902 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.285 8.166 -8.947 1.00 10.00 O ATOM 908 OE2 GLU A 56 -7.108 7.307 -6.937 1.00 10.00 O ATOM 0 H GLU A 56 -3.033 8.788 -7.742 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.474 11.411 -7.451 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.052 10.450 -7.453 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.025 10.338 -8.869 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.635 8.080 -8.599 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.798 8.143 -6.855 1.00 10.00 H new ATOM 915 N HIS A 57 -4.219 10.200 -4.610 1.00 10.00 N ATOM 916 CA HIS A 57 -4.712 10.542 -3.282 1.00 10.00 C ATOM 917 C HIS A 57 -3.787 11.475 -2.490 1.00 10.00 C ATOM 918 O HIS A 57 -4.230 12.095 -1.521 1.00 10.00 O ATOM 919 CB HIS A 57 -5.006 9.260 -2.512 1.00 10.00 C ATOM 920 CG HIS A 57 -6.106 8.472 -3.154 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.333 9.008 -3.476 1.00 10.00 N ATOM 922 CD2 HIS A 57 -6.130 7.186 -3.586 1.00 10.00 C ATOM 923 CE1 HIS A 57 -8.051 8.057 -4.084 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.364 6.926 -4.181 1.00 10.00 N ATOM 0 H HIS A 57 -3.689 9.330 -4.657 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.629 11.115 -3.417 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -4.104 8.651 -2.460 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.284 9.506 -1.487 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.322 6.477 -3.485 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -9.059 8.192 -4.448 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.674 6.050 -4.602 1.00 10.00 H new ATOM 932 N PHE A 58 -2.526 11.603 -2.888 1.00 10.00 N ATOM 933 CA PHE A 58 -1.605 12.491 -2.182 1.00 10.00 C ATOM 934 C PHE A 58 -0.875 13.361 -3.173 1.00 10.00 C ATOM 935 O PHE A 58 -0.815 13.055 -4.364 1.00 10.00 O ATOM 936 CB PHE A 58 -0.556 11.732 -1.343 1.00 10.00 C ATOM 937 CG PHE A 58 -0.616 10.244 -1.467 1.00 10.00 C ATOM 938 CD1 PHE A 58 0.061 9.620 -2.488 1.00 10.00 C ATOM 939 CD2 PHE A 58 -1.332 9.473 -0.566 1.00 10.00 C ATOM 940 CE1 PHE A 58 0.029 8.258 -2.619 1.00 10.00 C ATOM 941 CE2 PHE A 58 -1.370 8.100 -0.693 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.687 7.493 -1.724 1.00 10.00 C ATOM 0 H PHE A 58 -2.121 11.111 -3.684 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.214 13.087 -1.502 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.438 12.068 -1.638 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.685 12.001 -0.295 1.00 10.00 H new ATOM 0 HD1 PHE A 58 0.624 10.211 -3.195 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -1.865 9.951 0.243 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.566 7.782 -3.426 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -1.932 7.505 0.011 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.713 6.419 -1.831 1.00 10.00 H new ATOM 952 N THR A 59 -0.341 14.452 -2.678 1.00 10.00 N ATOM 953 CA THR A 59 0.427 15.354 -3.493 1.00 10.00 C ATOM 954 C THR A 59 1.758 14.725 -3.820 1.00 10.00 C ATOM 955 O THR A 59 2.273 13.922 -3.045 1.00 10.00 O ATOM 956 CB THR A 59 0.659 16.677 -2.757 1.00 10.00 C ATOM 957 OG1 THR A 59 0.835 16.423 -1.356 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.514 17.609 -2.972 1.00 10.00 C ATOM 0 H THR A 59 -0.428 14.736 -1.702 1.00 10.00 H new ATOM 0 HA THR A 59 -0.126 15.554 -4.411 1.00 10.00 H new ATOM 0 HB THR A 59 1.557 17.152 -3.152 1.00 10.00 H new ATOM 0 HG1 THR A 59 0.985 17.270 -0.886 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.336 18.546 -2.443 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.629 17.810 -4.037 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.423 17.144 -2.590 1.00 10.00 H new ATOM 966 N PRO A 60 2.299 15.034 -4.993 1.00 10.00 N ATOM 967 CA PRO A 60 3.606 14.542 -5.424 1.00 10.00 C ATOM 968 C PRO A 60 4.642 14.741 -4.326 1.00 10.00 C ATOM 969 O PRO A 60 5.520 13.909 -4.106 1.00 10.00 O ATOM 970 CB PRO A 60 3.929 15.425 -6.643 1.00 10.00 C ATOM 971 CG PRO A 60 2.862 16.476 -6.672 1.00 10.00 C ATOM 972 CD PRO A 60 1.671 15.859 -6.023 1.00 10.00 C ATOM 0 HA PRO A 60 3.610 13.476 -5.653 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.918 15.873 -6.551 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.928 14.840 -7.563 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.180 17.371 -6.137 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.638 16.778 -7.695 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.001 16.607 -5.598 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.083 15.265 -6.723 1.00 10.00 H new ATOM 980 N ASP A 61 4.506 15.847 -3.621 1.00 10.00 N ATOM 981 CA ASP A 61 5.400 16.169 -2.517 1.00 10.00 C ATOM 982 C ASP A 61 5.284 15.098 -1.444 1.00 10.00 C ATOM 983 O ASP A 61 6.277 14.590 -0.934 1.00 10.00 O ATOM 984 CB ASP A 61 5.030 17.514 -1.886 1.00 10.00 C ATOM 985 CG ASP A 61 4.981 18.661 -2.877 1.00 10.00 C ATOM 986 OD1 ASP A 61 4.188 18.595 -3.841 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.725 19.645 -2.687 1.00 10.00 O ATOM 0 H ASP A 61 3.781 16.544 -3.792 1.00 10.00 H new ATOM 0 HA ASP A 61 6.416 16.220 -2.909 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.058 17.423 -1.402 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.754 17.750 -1.106 1.00 10.00 H new ATOM 992 N SER A 62 4.041 14.724 -1.171 1.00 10.00 N ATOM 993 CA SER A 62 3.690 13.751 -0.150 1.00 10.00 C ATOM 994 C SER A 62 3.855 12.310 -0.620 1.00 10.00 C ATOM 995 O SER A 62 3.669 11.392 0.164 1.00 10.00 O ATOM 996 CB SER A 62 2.235 13.968 0.254 1.00 10.00 C ATOM 997 OG SER A 62 2.125 15.005 1.204 1.00 10.00 O ATOM 0 H SER A 62 3.232 15.099 -1.666 1.00 10.00 H new ATOM 0 HA SER A 62 4.369 13.901 0.689 1.00 10.00 H new ATOM 0 HB2 SER A 62 1.641 14.212 -0.627 1.00 10.00 H new ATOM 0 HB3 SER A 62 1.827 13.046 0.668 1.00 10.00 H new ATOM 0 HG SER A 62 1.258 15.451 1.103 1.00 10.00 H new ATOM 1003 N PHE A 63 4.265 12.149 -1.865 1.00 10.00 N ATOM 1004 CA PHE A 63 4.414 10.830 -2.504 1.00 10.00 C ATOM 1005 C PHE A 63 4.916 9.690 -1.598 1.00 10.00 C ATOM 1006 O PHE A 63 4.128 8.838 -1.197 1.00 10.00 O ATOM 1007 CB PHE A 63 5.329 10.885 -3.714 1.00 10.00 C ATOM 1008 CG PHE A 63 4.622 10.983 -5.038 1.00 10.00 C ATOM 1009 CD1 PHE A 63 3.354 10.454 -5.212 1.00 10.00 C ATOM 1010 CD2 PHE A 63 5.240 11.598 -6.116 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.716 10.542 -6.429 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.605 11.689 -7.339 1.00 10.00 C ATOM 1013 CZ PHE A 63 3.338 11.161 -7.495 1.00 10.00 C ATOM 0 H PHE A 63 4.509 12.929 -2.476 1.00 10.00 H new ATOM 0 HA PHE A 63 3.387 10.593 -2.783 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.994 11.742 -3.610 1.00 10.00 H new ATOM 0 HB3 PHE A 63 5.956 9.993 -3.718 1.00 10.00 H new ATOM 0 HD1 PHE A 63 2.860 9.967 -4.384 1.00 10.00 H new ATOM 0 HD2 PHE A 63 6.231 12.011 -5.998 1.00 10.00 H new ATOM 0 HE1 PHE A 63 1.727 10.126 -6.550 1.00 10.00 H new ATOM 0 HE2 PHE A 63 5.097 12.171 -8.171 1.00 10.00 H new ATOM 0 HZ PHE A 63 2.835 11.232 -8.448 1.00 10.00 H new ATOM 1023 N LYS A 64 6.227 9.660 -1.293 1.00 10.00 N ATOM 1024 CA LYS A 64 6.796 8.553 -0.495 1.00 10.00 C ATOM 1025 C LYS A 64 8.260 8.779 -0.105 1.00 10.00 C ATOM 1026 O LYS A 64 8.636 9.882 0.281 1.00 10.00 O ATOM 1027 CB LYS A 64 6.674 7.256 -1.295 1.00 10.00 C ATOM 1028 CG LYS A 64 7.326 7.333 -2.666 1.00 10.00 C ATOM 1029 CD LYS A 64 7.271 6.001 -3.384 1.00 10.00 C ATOM 1030 CE LYS A 64 6.504 6.106 -4.689 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.231 4.765 -5.277 1.00 10.00 N ATOM 0 H LYS A 64 6.900 10.371 -1.578 1.00 10.00 H new ATOM 0 HA LYS A 64 6.231 8.498 0.435 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.129 6.444 -0.729 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.619 7.009 -1.415 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.824 8.092 -3.266 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.364 7.647 -2.559 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.284 5.651 -3.583 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.798 5.259 -2.741 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.562 6.626 -4.517 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.074 6.705 -5.399 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 5.706 4.877 -6.167 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.131 4.279 -5.465 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 5.666 4.202 -4.610 1.00 10.00 H new ATOM 1045 N ARG A 65 9.068 7.710 -0.214 1.00 10.00 N ATOM 1046 CA ARG A 65 10.493 7.720 0.136 1.00 10.00 C ATOM 1047 C ARG A 65 11.288 8.759 -0.647 1.00 10.00 C ATOM 1048 O ARG A 65 12.384 9.137 -0.238 1.00 10.00 O ATOM 1049 CB ARG A 65 11.097 6.326 -0.081 1.00 10.00 C ATOM 1050 CG ARG A 65 10.707 5.675 -1.402 1.00 10.00 C ATOM 1051 CD ARG A 65 10.921 4.169 -1.374 1.00 10.00 C ATOM 1052 NE ARG A 65 12.215 3.773 -1.946 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.766 2.562 -1.792 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.144 1.625 -1.074 1.00 10.00 N ATOM 1055 NH2 ARG A 65 13.941 2.291 -2.361 1.00 10.00 N ATOM 0 H ARG A 65 8.742 6.805 -0.552 1.00 10.00 H new ATOM 0 HA ARG A 65 10.559 7.995 1.189 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.183 6.402 -0.033 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.786 5.676 0.737 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.660 5.890 -1.618 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.295 6.111 -2.210 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.859 3.816 -0.345 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.118 3.681 -1.927 1.00 10.00 H new ATOM 0 HE ARG A 65 12.726 4.464 -2.495 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.244 1.829 -0.639 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.568 0.704 -0.960 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.418 3.005 -2.912 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.363 1.370 -2.246 1.00 10.00 H new ATOM 1069 N GLU A 66 10.731 9.232 -1.754 1.00 10.00 N ATOM 1070 CA GLU A 66 11.387 10.244 -2.569 1.00 10.00 C ATOM 1071 C GLU A 66 11.265 11.604 -1.890 1.00 10.00 C ATOM 1072 O GLU A 66 11.633 12.634 -2.459 1.00 10.00 O ATOM 1073 CB GLU A 66 10.815 10.289 -3.996 1.00 10.00 C ATOM 1074 CG GLU A 66 11.314 9.156 -4.879 1.00 10.00 C ATOM 1075 CD GLU A 66 10.341 7.998 -4.950 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.188 7.282 -3.942 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.723 7.809 -6.022 1.00 10.00 O ATOM 0 H GLU A 66 9.824 8.929 -2.108 1.00 10.00 H new ATOM 0 HA GLU A 66 12.441 9.980 -2.659 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.727 10.249 -3.945 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.078 11.242 -4.456 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.493 9.537 -5.885 1.00 10.00 H new ATOM 0 HG3 GLU A 66 12.271 8.798 -4.498 1.00 10.00 H new ATOM 1084 N SER A 67 10.717 11.584 -0.672 1.00 10.00 N ATOM 1085 CA SER A 67 10.522 12.781 0.130 1.00 10.00 C ATOM 1086 C SER A 67 11.863 13.399 0.573 1.00 10.00 C ATOM 1087 O SER A 67 12.627 13.903 -0.249 1.00 10.00 O ATOM 1088 CB SER A 67 9.640 12.423 1.337 1.00 10.00 C ATOM 1089 OG SER A 67 9.586 13.463 2.304 1.00 10.00 O ATOM 0 H SER A 67 10.396 10.729 -0.218 1.00 10.00 H new ATOM 0 HA SER A 67 10.024 13.540 -0.473 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.630 12.201 0.991 1.00 10.00 H new ATOM 0 HB3 SER A 67 10.023 11.516 1.805 1.00 10.00 H new ATOM 0 HG SER A 67 9.693 14.329 1.859 1.00 10.00 H new ATOM 1095 N ASN A 68 12.141 13.367 1.871 1.00 10.00 N ATOM 1096 CA ASN A 68 13.363 13.947 2.401 1.00 10.00 C ATOM 1097 C ASN A 68 14.427 12.891 2.652 1.00 10.00 C ATOM 1098 O ASN A 68 15.421 12.826 1.933 1.00 10.00 O ATOM 1099 CB ASN A 68 13.069 14.711 3.692 1.00 10.00 C ATOM 1100 CG ASN A 68 12.776 16.178 3.442 1.00 10.00 C ATOM 1101 OD1 ASN A 68 11.627 16.566 3.249 1.00 10.00 O ATOM 1102 ND2 ASN A 68 13.809 17.006 3.458 1.00 10.00 N ATOM 0 H ASN A 68 11.535 12.945 2.574 1.00 10.00 H new ATOM 0 HA ASN A 68 13.750 14.637 1.652 1.00 10.00 H new ATOM 0 HB2 ASN A 68 12.217 14.254 4.195 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.922 14.623 4.365 1.00 10.00 H new ATOM 0 HD21 ASN A 68 13.665 18.004 3.307 1.00 10.00 H new ATOM 0 HD22 ASN A 68 14.749 16.646 3.622 1.00 10.00 H new ATOM 1109 N ASN A 69 14.229 12.063 3.671 1.00 10.00 N ATOM 1110 CA ASN A 69 15.212 11.039 3.989 1.00 10.00 C ATOM 1111 C ASN A 69 14.825 9.669 3.413 1.00 10.00 C ATOM 1112 O ASN A 69 15.516 9.153 2.532 1.00 10.00 O ATOM 1113 CB ASN A 69 15.461 10.969 5.514 1.00 10.00 C ATOM 1114 CG ASN A 69 14.380 10.227 6.279 1.00 10.00 C ATOM 1115 OD1 ASN A 69 13.245 10.693 6.386 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.720 9.060 6.802 1.00 10.00 N ATOM 0 H ASN A 69 13.411 12.080 4.281 1.00 10.00 H new ATOM 0 HA ASN A 69 16.149 11.324 3.510 1.00 10.00 H new ATOM 0 HB2 ASN A 69 16.419 10.482 5.694 1.00 10.00 H new ATOM 0 HB3 ASN A 69 15.540 11.983 5.907 1.00 10.00 H new ATOM 0 HD21 ASN A 69 14.031 8.511 7.316 1.00 10.00 H new ATOM 0 HD22 ASN A 69 15.671 8.709 6.691 1.00 10.00 H new ATOM 1123 N LYS A 70 13.730 9.075 3.891 1.00 10.00 N ATOM 1124 CA LYS A 70 13.331 7.757 3.420 1.00 10.00 C ATOM 1125 C LYS A 70 11.817 7.541 3.406 1.00 10.00 C ATOM 1126 O LYS A 70 11.359 6.483 2.987 1.00 10.00 O ATOM 1127 CB LYS A 70 14.003 6.686 4.289 1.00 10.00 C ATOM 1128 CG LYS A 70 15.365 6.239 3.779 1.00 10.00 C ATOM 1129 CD LYS A 70 15.266 5.538 2.430 1.00 10.00 C ATOM 1130 CE LYS A 70 16.642 5.291 1.825 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.354 6.563 1.506 1.00 10.00 N ATOM 0 H LYS A 70 13.114 9.483 4.594 1.00 10.00 H new ATOM 0 HA LYS A 70 13.658 7.679 2.383 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.115 7.073 5.302 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.347 5.818 4.350 1.00 10.00 H new ATOM 0 HG2 LYS A 70 16.021 7.105 3.691 1.00 10.00 H new ATOM 0 HG3 LYS A 70 15.821 5.566 4.505 1.00 10.00 H new ATOM 0 HD2 LYS A 70 14.745 4.588 2.550 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.671 6.144 1.747 1.00 10.00 H new ATOM 0 HE2 LYS A 70 17.243 4.705 2.520 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.536 4.698 0.917 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 17.665 6.547 0.514 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 16.712 7.367 1.655 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 18.183 6.662 2.127 1.00 10.00 H new ATOM 1145 N LEU A 71 11.029 8.515 3.852 1.00 10.00 N ATOM 1146 CA LEU A 71 9.578 8.331 3.861 1.00 10.00 C ATOM 1147 C LEU A 71 8.829 9.650 3.705 1.00 10.00 C ATOM 1148 O LEU A 71 9.445 10.704 3.615 1.00 10.00 O ATOM 1149 CB LEU A 71 9.135 7.617 5.140 1.00 10.00 C ATOM 1150 CG LEU A 71 8.182 6.431 4.935 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.958 6.581 5.823 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.774 6.296 3.469 1.00 10.00 C ATOM 0 H LEU A 71 11.356 9.415 4.203 1.00 10.00 H new ATOM 0 HA LEU A 71 9.328 7.711 3.000 1.00 10.00 H new ATOM 0 HB2 LEU A 71 10.022 7.262 5.664 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.649 8.343 5.792 1.00 10.00 H new ATOM 0 HG LEU A 71 8.708 5.519 5.217 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.290 5.734 5.668 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.268 6.613 6.868 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.437 7.505 5.571 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.099 5.448 3.356 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.269 7.207 3.146 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.662 6.137 2.857 1.00 10.00 H new ATOM 1164 N LEU A 72 7.492 9.572 3.701 1.00 10.00 N ATOM 1165 CA LEU A 72 6.637 10.742 3.505 1.00 10.00 C ATOM 1166 C LEU A 72 6.734 11.755 4.630 1.00 10.00 C ATOM 1167 O LEU A 72 7.465 11.587 5.606 1.00 10.00 O ATOM 1168 CB LEU A 72 5.159 10.363 3.376 1.00 10.00 C ATOM 1169 CG LEU A 72 4.838 8.918 2.973 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.354 8.119 4.167 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.778 8.899 1.887 1.00 10.00 C ATOM 0 H LEU A 72 6.979 8.701 3.833 1.00 10.00 H new ATOM 0 HA LEU A 72 7.007 11.186 2.581 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.674 10.563 4.332 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.703 11.028 2.642 1.00 10.00 H new ATOM 0 HG LEU A 72 5.753 8.463 2.594 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.133 7.098 3.856 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.129 8.105 4.934 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.452 8.579 4.571 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.559 7.868 1.610 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.870 9.376 2.256 1.00 10.00 H new ATOM 0 HD23 LEU A 72 4.142 9.440 1.014 1.00 10.00 H new ATOM 1183 N LYS A 73 5.947 12.804 4.464 1.00 10.00 N ATOM 1184 CA LYS A 73 5.873 13.878 5.420 1.00 10.00 C ATOM 1185 C LYS A 73 4.994 13.427 6.572 1.00 10.00 C ATOM 1186 O LYS A 73 3.846 13.044 6.366 1.00 10.00 O ATOM 1187 CB LYS A 73 5.283 15.156 4.790 1.00 10.00 C ATOM 1188 CG LYS A 73 5.955 15.631 3.497 1.00 10.00 C ATOM 1189 CD LYS A 73 5.593 14.763 2.310 1.00 10.00 C ATOM 1190 CE LYS A 73 6.774 13.918 1.878 1.00 10.00 C ATOM 1191 NZ LYS A 73 6.372 12.793 0.996 1.00 10.00 N ATOM 0 H LYS A 73 5.340 12.929 3.654 1.00 10.00 H new ATOM 0 HA LYS A 73 6.879 14.115 5.766 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.226 14.984 4.586 1.00 10.00 H new ATOM 0 HB3 LYS A 73 5.340 15.960 5.524 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.661 16.661 3.294 1.00 10.00 H new ATOM 0 HG3 LYS A 73 7.037 15.628 3.630 1.00 10.00 H new ATOM 0 HD2 LYS A 73 4.754 14.117 2.569 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.267 15.391 1.481 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.495 14.546 1.355 1.00 10.00 H new ATOM 0 HE3 LYS A 73 7.277 13.523 2.761 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.116 12.066 1.000 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 5.483 12.381 1.343 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.236 13.144 0.026 1.00 10.00 H new ATOM 1205 N GLU A 74 5.562 13.422 7.757 1.00 10.00 N ATOM 1206 CA GLU A 74 4.854 13.028 8.972 1.00 10.00 C ATOM 1207 C GLU A 74 3.541 13.794 9.156 1.00 10.00 C ATOM 1208 O GLU A 74 2.625 13.330 9.830 1.00 10.00 O ATOM 1209 CB GLU A 74 5.763 13.259 10.174 1.00 10.00 C ATOM 1210 CG GLU A 74 5.084 13.057 11.510 1.00 10.00 C ATOM 1211 CD GLU A 74 6.023 12.503 12.558 1.00 10.00 C ATOM 1212 OE1 GLU A 74 6.697 11.492 12.281 1.00 10.00 O ATOM 1213 OE2 GLU A 74 6.096 13.073 13.662 1.00 10.00 O ATOM 0 H GLU A 74 6.533 13.691 7.914 1.00 10.00 H new ATOM 0 HA GLU A 74 4.598 11.972 8.884 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.616 12.583 10.106 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.156 14.274 10.128 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.679 14.008 11.856 1.00 10.00 H new ATOM 0 HG3 GLU A 74 4.241 12.378 11.386 1.00 10.00 H new ATOM 1220 N ASN A 75 3.471 14.975 8.589 1.00 10.00 N ATOM 1221 CA ASN A 75 2.268 15.798 8.680 1.00 10.00 C ATOM 1222 C ASN A 75 1.473 15.818 7.378 1.00 10.00 C ATOM 1223 O ASN A 75 0.657 16.713 7.150 1.00 10.00 O ATOM 1224 CB ASN A 75 2.646 17.216 9.053 1.00 10.00 C ATOM 1225 CG ASN A 75 2.399 17.518 10.519 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.437 16.487 11.352 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 2.166 18.664 10.896 1.00 10.00 N flip ATOM 0 H ASN A 75 4.231 15.397 8.056 1.00 10.00 H new ATOM 0 HA ASN A 75 1.634 15.355 9.448 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.699 17.380 8.824 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.075 17.914 8.441 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.146 19.429 10.221 1.00 10.00 H new ATOM 0 HD22 ASN A 75 1.992 18.851 11.884 1.00 10.00 H new ATOM 1234 N ALA A 76 1.710 14.840 6.533 1.00 10.00 N ATOM 1235 CA ALA A 76 1.010 14.747 5.251 1.00 10.00 C ATOM 1236 C ALA A 76 0.135 13.508 5.166 1.00 10.00 C ATOM 1237 O ALA A 76 0.595 12.385 5.372 1.00 10.00 O ATOM 1238 CB ALA A 76 1.991 14.757 4.095 1.00 10.00 C ATOM 0 H ALA A 76 2.382 14.091 6.702 1.00 10.00 H new ATOM 0 HA ALA A 76 0.365 15.623 5.183 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.445 14.687 3.154 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.565 15.683 4.113 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.669 13.908 4.186 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.122 13.728 4.822 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.092 12.656 4.691 1.00 10.00 C ATOM 1246 C VAL A 77 -2.961 12.890 3.449 1.00 10.00 C ATOM 1247 O VAL A 77 -3.319 14.029 3.145 1.00 10.00 O ATOM 1248 CB VAL A 77 -2.966 12.542 5.973 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.379 13.909 6.492 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.195 11.680 5.744 1.00 10.00 C ATOM 0 H VAL A 77 -1.499 14.655 4.626 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.561 11.712 4.570 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.346 12.059 6.728 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -3.988 13.789 7.388 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.489 14.491 6.733 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -3.956 14.429 5.728 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.778 11.626 6.663 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.804 12.118 4.953 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.886 10.677 5.451 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.247 11.816 2.688 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.069 11.863 1.470 1.00 10.00 C ATOM 1262 C PRO A 78 -5.413 12.552 1.679 1.00 10.00 C ATOM 1263 O PRO A 78 -6.298 12.028 2.353 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.291 10.382 1.119 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.811 9.610 2.294 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.768 10.460 2.945 1.00 10.00 C ATOM 0 HA PRO A 78 -3.574 12.439 0.688 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.344 10.180 0.923 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.741 10.107 0.219 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.629 9.399 2.983 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.397 8.650 1.987 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.688 10.255 4.013 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.782 10.291 2.513 1.00 10.00 H new ATOM 1274 N THR A 79 -5.553 13.723 1.086 1.00 10.00 N ATOM 1275 CA THR A 79 -6.774 14.502 1.192 1.00 10.00 C ATOM 1276 C THR A 79 -7.541 14.477 -0.124 1.00 10.00 C ATOM 1277 O THR A 79 -8.729 14.788 -0.187 1.00 10.00 O ATOM 1278 CB THR A 79 -6.445 15.956 1.558 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.645 16.553 0.528 1.00 10.00 O ATOM 1280 CG2 THR A 79 -5.682 16.020 2.866 1.00 10.00 C ATOM 0 H THR A 79 -4.827 14.160 0.519 1.00 10.00 H new ATOM 0 HA THR A 79 -7.392 14.060 1.974 1.00 10.00 H new ATOM 0 HB THR A 79 -7.385 16.498 1.662 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.441 17.481 0.769 1.00 10.00 H new ATOM 0 HG21 THR A 79 -5.459 17.059 3.107 1.00 10.00 H new ATOM 0 HG22 THR A 79 -6.287 15.585 3.662 1.00 10.00 H new ATOM 0 HG23 THR A 79 -4.751 15.462 2.772 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.835 14.071 -1.164 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.375 14.000 -2.517 1.00 10.00 C ATOM 1290 C ILE A 80 -8.255 12.759 -2.708 1.00 10.00 C ATOM 1291 O ILE A 80 -8.648 12.440 -3.829 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.245 13.990 -3.572 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -4.996 14.741 -3.061 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.747 14.582 -4.882 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.929 16.204 -3.443 1.00 10.00 C ATOM 0 H ILE A 80 -5.860 13.778 -1.096 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.987 14.891 -2.657 1.00 10.00 H new ATOM 0 HB ILE A 80 -5.950 12.956 -3.751 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.963 14.663 -1.974 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.107 14.240 -3.444 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.943 14.570 -5.618 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.585 13.991 -5.251 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.072 15.609 -4.716 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -4.017 16.644 -3.039 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.926 16.297 -4.529 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.795 16.726 -3.036 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.517 12.043 -1.613 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.335 10.827 -1.638 1.00 10.00 C ATOM 1309 C PHE A 81 -10.577 10.968 -2.517 1.00 10.00 C ATOM 1310 O PHE A 81 -10.922 10.031 -3.236 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.746 10.413 -0.219 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.751 9.518 0.492 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.646 8.999 -0.164 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.941 9.184 1.825 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.757 8.170 0.489 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.049 8.356 2.484 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.956 7.849 1.812 1.00 10.00 C ATOM 0 H PHE A 81 -8.170 12.288 -0.686 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.711 10.048 -2.076 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.897 11.312 0.378 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.706 9.899 -0.269 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.478 9.247 -1.202 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.796 9.575 2.356 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.903 7.772 -0.039 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.208 8.107 3.523 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.258 7.202 2.323 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.236 12.121 -2.466 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.426 12.353 -3.275 1.00 10.00 C ATOM 1329 C LEU A 82 -12.755 13.845 -3.346 1.00 10.00 C ATOM 1330 O LEU A 82 -12.136 14.665 -2.668 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.622 11.570 -2.713 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.200 10.441 -3.596 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.678 10.678 -3.865 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.440 10.292 -4.915 1.00 10.00 C ATOM 0 H LEU A 82 -10.967 12.907 -1.874 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.221 11.999 -4.285 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.324 11.135 -1.759 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.423 12.279 -2.503 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.081 9.509 -3.043 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.068 9.873 -4.488 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.221 10.701 -2.920 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.806 11.630 -4.380 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -13.883 9.487 -5.501 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.499 11.224 -5.476 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.395 10.059 -4.709 1.00 10.00 H new