USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 797 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 165:sc= -0.0976 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 162:sc= -2.13! (180deg=-2.44!) USER MOD Set 2.2: A 79 ASN : amide:sc= -4.72! C(o=-6.9!,f=-18!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -56:sc= 0.393 USER MOD Single : A 36 TYR OH : rot 140:sc= 0.274 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 37:sc= 0.876 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -129:sc= -0.177 (180deg=-0.95) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00103 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.797) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -4.63! C(o=-4.6!,f=-8.5!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -74:sc= 0.706 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -178:sc= 0 (180deg=-0.00461) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.246 8.903 -4.679 1.00 0.00 N ATOM 2 CA MET A 23 6.014 7.486 -4.452 1.00 0.00 C ATOM 3 C MET A 23 6.854 6.975 -3.280 1.00 0.00 C ATOM 4 O MET A 23 8.047 7.264 -3.195 1.00 0.00 O ATOM 5 CB MET A 23 6.368 6.702 -5.716 1.00 0.00 C ATOM 6 CG MET A 23 6.134 5.204 -5.515 1.00 0.00 C ATOM 7 SD MET A 23 7.454 4.272 -6.277 1.00 0.00 S ATOM 8 CE MET A 23 8.700 4.403 -5.007 1.00 0.00 C ATOM 0 HA MET A 23 4.961 7.343 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.765 7.059 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.411 6.879 -5.978 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.083 4.975 -4.451 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.177 4.916 -5.949 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.598 3.872 -5.322 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.939 5.453 -4.839 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.325 3.964 -4.083 1.00 0.00 H new ATOM 18 N ARG A 24 6.201 6.222 -2.408 1.00 0.00 N ATOM 19 CA ARG A 24 6.874 5.667 -1.246 1.00 0.00 C ATOM 20 C ARG A 24 7.049 4.156 -1.406 1.00 0.00 C ATOM 21 O ARG A 24 6.219 3.494 -2.026 1.00 0.00 O ATOM 22 CB ARG A 24 6.086 5.950 0.034 1.00 0.00 C ATOM 23 CG ARG A 24 6.707 7.107 0.817 1.00 0.00 C ATOM 24 CD ARG A 24 7.180 6.645 2.197 1.00 0.00 C ATOM 25 NE ARG A 24 8.632 6.362 2.167 1.00 0.00 N ATOM 26 CZ ARG A 24 9.579 7.305 2.061 1.00 0.00 C ATOM 27 NH1 ARG A 24 9.232 8.596 1.973 1.00 0.00 N ATOM 28 NH2 ARG A 24 10.872 6.955 2.041 1.00 0.00 N ATOM 0 H ARG A 24 5.212 5.983 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 24 7.851 6.143 -1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.053 6.189 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.064 5.056 0.657 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.548 7.518 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.977 7.908 0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.966 7.414 2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.633 5.751 2.497 1.00 0.00 H new ATOM 0 HE ARG A 24 8.931 5.389 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.247 8.861 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.953 9.313 1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.135 5.972 2.106 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.593 7.672 1.960 1.00 0.00 H new ATOM 42 N GLU A 25 8.135 3.656 -0.835 1.00 0.00 N ATOM 43 CA GLU A 25 8.430 2.234 -0.907 1.00 0.00 C ATOM 44 C GLU A 25 8.217 1.578 0.459 1.00 0.00 C ATOM 45 O GLU A 25 8.745 2.050 1.466 1.00 0.00 O ATOM 46 CB GLU A 25 9.854 1.995 -1.415 1.00 0.00 C ATOM 47 CG GLU A 25 10.888 2.494 -0.404 1.00 0.00 C ATOM 48 CD GLU A 25 12.276 2.583 -1.039 1.00 0.00 C ATOM 49 OE1 GLU A 25 12.337 3.002 -2.215 1.00 0.00 O ATOM 50 OE2 GLU A 25 13.247 2.231 -0.334 1.00 0.00 O ATOM 0 H GLU A 25 8.821 4.209 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 25 7.744 1.775 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.004 0.931 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.995 2.507 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.592 3.474 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.919 1.821 0.453 1.00 0.00 H new ATOM 57 N TYR A 26 7.445 0.503 0.450 1.00 0.00 N ATOM 58 CA TYR A 26 7.156 -0.222 1.675 1.00 0.00 C ATOM 59 C TYR A 26 7.674 -1.660 1.597 1.00 0.00 C ATOM 60 O TYR A 26 7.649 -2.276 0.534 1.00 0.00 O ATOM 61 CB TYR A 26 5.631 -0.248 1.801 1.00 0.00 C ATOM 62 CG TYR A 26 4.984 1.138 1.812 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.410 2.090 2.716 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.974 1.436 0.921 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.801 3.396 2.726 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.365 2.740 0.931 1.00 0.00 C ATOM 67 CZ TYR A 26 3.808 3.655 1.834 1.00 0.00 C ATOM 68 OH TYR A 26 3.233 4.888 1.845 1.00 0.00 O ATOM 0 H TYR A 26 7.010 0.116 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 26 7.638 0.258 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.218 -0.824 0.973 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.361 -0.771 2.719 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.199 1.856 3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.640 0.690 0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.126 4.152 3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.575 2.986 0.237 1.00 0.00 H new ATOM 0 HH TYR A 26 2.540 4.932 1.154 1.00 0.00 H new ATOM 78 N PRO A 27 8.144 -2.166 2.770 1.00 0.00 N ATOM 79 CA PRO A 27 8.667 -3.519 2.844 1.00 0.00 C ATOM 80 C PRO A 27 7.534 -4.547 2.814 1.00 0.00 C ATOM 81 O PRO A 27 6.367 -4.194 2.975 1.00 0.00 O ATOM 82 CB PRO A 27 9.472 -3.559 4.132 1.00 0.00 C ATOM 83 CG PRO A 27 8.992 -2.380 4.961 1.00 0.00 C ATOM 84 CD PRO A 27 8.189 -1.465 4.049 1.00 0.00 C ATOM 0 HA PRO A 27 9.294 -3.775 1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.315 -4.499 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.540 -3.483 3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.378 -2.723 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.839 -1.844 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.187 -1.294 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.664 -0.489 3.949 1.00 0.00 H new ATOM 92 N VAL A 28 7.919 -5.797 2.607 1.00 0.00 N ATOM 93 CA VAL A 28 6.950 -6.879 2.554 1.00 0.00 C ATOM 94 C VAL A 28 7.231 -7.865 3.690 1.00 0.00 C ATOM 95 O VAL A 28 8.385 -8.105 4.038 1.00 0.00 O ATOM 96 CB VAL A 28 6.974 -7.538 1.172 1.00 0.00 C ATOM 97 CG1 VAL A 28 8.383 -8.025 0.822 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.962 -8.682 1.092 1.00 0.00 C ATOM 0 H VAL A 28 8.888 -6.085 2.474 1.00 0.00 H new ATOM 0 HA VAL A 28 5.940 -6.494 2.698 1.00 0.00 H new ATOM 0 HB VAL A 28 6.687 -6.786 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.373 -8.489 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.070 -7.179 0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.710 -8.754 1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.000 -9.132 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.204 -9.435 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.960 -8.295 1.277 1.00 0.00 H new ATOM 108 N LYS A 29 6.153 -8.410 4.236 1.00 0.00 N ATOM 109 CA LYS A 29 6.268 -9.364 5.326 1.00 0.00 C ATOM 110 C LYS A 29 6.372 -10.777 4.751 1.00 0.00 C ATOM 111 O LYS A 29 5.767 -11.080 3.724 1.00 0.00 O ATOM 112 CB LYS A 29 5.116 -9.185 6.318 1.00 0.00 C ATOM 113 CG LYS A 29 5.258 -10.146 7.501 1.00 0.00 C ATOM 114 CD LYS A 29 5.605 -9.387 8.784 1.00 0.00 C ATOM 115 CE LYS A 29 7.110 -9.115 8.869 1.00 0.00 C ATOM 116 NZ LYS A 29 7.785 -10.179 9.644 1.00 0.00 N ATOM 0 H LYS A 29 5.197 -8.209 3.944 1.00 0.00 H new ATOM 0 HA LYS A 29 7.179 -9.184 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.099 -8.157 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.166 -9.361 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.328 -10.697 7.640 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.035 -10.880 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.059 -8.444 8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.287 -9.966 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.533 -9.063 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.285 -8.147 9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.805 -9.980 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.392 -10.210 10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.633 -11.097 9.179 1.00 0.00 H new ATOM 130 N LYS A 30 7.144 -11.606 5.440 1.00 0.00 N ATOM 131 CA LYS A 30 7.334 -12.981 5.011 1.00 0.00 C ATOM 132 C LYS A 30 6.013 -13.740 5.141 1.00 0.00 C ATOM 133 O LYS A 30 5.645 -14.171 6.233 1.00 0.00 O ATOM 134 CB LYS A 30 8.492 -13.626 5.776 1.00 0.00 C ATOM 135 CG LYS A 30 8.987 -14.886 5.064 1.00 0.00 C ATOM 136 CD LYS A 30 9.964 -14.533 3.940 1.00 0.00 C ATOM 137 CE LYS A 30 9.262 -14.549 2.581 1.00 0.00 C ATOM 138 NZ LYS A 30 9.798 -15.638 1.734 1.00 0.00 N ATOM 0 H LYS A 30 7.645 -11.352 6.292 1.00 0.00 H new ATOM 0 HA LYS A 30 7.618 -13.015 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.311 -12.913 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.169 -13.878 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.475 -15.545 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.138 -15.434 4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.392 -13.547 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.791 -15.243 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.189 -14.683 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.401 -13.590 2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.311 -15.635 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.817 -15.493 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.643 -16.552 2.205 1.00 0.00 H new ATOM 152 N GLY A 31 5.336 -13.882 4.012 1.00 0.00 N ATOM 153 CA GLY A 31 4.062 -14.583 3.986 1.00 0.00 C ATOM 154 C GLY A 31 2.952 -13.683 3.437 1.00 0.00 C ATOM 155 O GLY A 31 2.091 -14.140 2.688 1.00 0.00 O ATOM 0 H GLY A 31 5.645 -13.524 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.148 -15.478 3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.804 -14.913 4.992 1.00 0.00 H new ATOM 159 N PHE A 32 3.010 -12.419 3.831 1.00 0.00 N ATOM 160 CA PHE A 32 2.021 -11.452 3.387 1.00 0.00 C ATOM 161 C PHE A 32 1.856 -11.494 1.867 1.00 0.00 C ATOM 162 O PHE A 32 2.721 -12.008 1.159 1.00 0.00 O ATOM 163 CB PHE A 32 2.535 -10.069 3.793 1.00 0.00 C ATOM 164 CG PHE A 32 1.886 -9.513 5.063 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.025 -10.175 6.244 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.173 -8.358 5.013 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.422 -9.660 7.422 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.570 -7.842 6.191 1.00 0.00 C ATOM 169 CZ PHE A 32 0.708 -8.503 7.371 1.00 0.00 C ATOM 0 H PHE A 32 3.726 -12.043 4.452 1.00 0.00 H new ATOM 0 HA PHE A 32 1.054 -11.676 3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.613 -10.123 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.360 -9.372 2.973 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.594 -11.092 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.064 -7.831 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.530 -10.187 8.359 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.002 -6.924 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.251 -8.110 8.267 1.00 0.00 H new ATOM 179 N PRO A 33 0.711 -10.931 1.396 1.00 0.00 N ATOM 180 CA PRO A 33 0.421 -10.899 -0.027 1.00 0.00 C ATOM 181 C PRO A 33 1.272 -9.844 -0.736 1.00 0.00 C ATOM 182 O PRO A 33 1.310 -8.688 -0.318 1.00 0.00 O ATOM 183 CB PRO A 33 -1.070 -10.621 -0.119 1.00 0.00 C ATOM 184 CG PRO A 33 -1.471 -10.048 1.230 1.00 0.00 C ATOM 185 CD PRO A 33 -0.335 -10.313 2.206 1.00 0.00 C ATOM 0 HA PRO A 33 0.669 -11.835 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.287 -9.917 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.625 -11.534 -0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.662 -8.978 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.393 -10.511 1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.015 -9.389 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.652 -10.972 3.014 1.00 0.00 H new ATOM 193 N THR A 34 1.934 -10.279 -1.798 1.00 0.00 N ATOM 194 CA THR A 34 2.781 -9.386 -2.569 1.00 0.00 C ATOM 195 C THR A 34 2.600 -9.640 -4.068 1.00 0.00 C ATOM 196 O THR A 34 3.532 -9.459 -4.849 1.00 0.00 O ATOM 197 CB THR A 34 4.223 -9.573 -2.092 1.00 0.00 C ATOM 198 OG1 THR A 34 4.915 -8.449 -2.630 1.00 0.00 O ATOM 199 CG2 THR A 34 4.905 -10.776 -2.745 1.00 0.00 C ATOM 0 H THR A 34 1.901 -11.238 -2.142 1.00 0.00 H new ATOM 0 HA THR A 34 2.503 -8.344 -2.412 1.00 0.00 H new ATOM 0 HB THR A 34 4.234 -9.693 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.788 -8.421 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.925 -10.863 -2.372 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.352 -11.683 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.925 -10.640 -3.826 1.00 0.00 H new ATOM 207 N ASP A 35 1.392 -10.055 -4.422 1.00 0.00 N ATOM 208 CA ASP A 35 1.077 -10.335 -5.812 1.00 0.00 C ATOM 209 C ASP A 35 -0.191 -9.575 -6.206 1.00 0.00 C ATOM 210 O ASP A 35 -1.079 -9.371 -5.379 1.00 0.00 O ATOM 211 CB ASP A 35 0.820 -11.828 -6.030 1.00 0.00 C ATOM 212 CG ASP A 35 1.892 -12.557 -6.841 1.00 0.00 C ATOM 213 OD1 ASP A 35 2.303 -11.991 -7.877 1.00 0.00 O ATOM 214 OD2 ASP A 35 2.276 -13.664 -6.406 1.00 0.00 O ATOM 0 H ASP A 35 0.621 -10.204 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 35 1.927 -10.023 -6.419 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.730 -12.312 -5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.139 -11.946 -6.535 1.00 0.00 H new ATOM 219 N TYR A 36 -0.237 -9.176 -7.469 1.00 0.00 N ATOM 220 CA TYR A 36 -1.381 -8.444 -7.982 1.00 0.00 C ATOM 221 C TYR A 36 -2.692 -9.129 -7.588 1.00 0.00 C ATOM 222 O TYR A 36 -3.575 -8.499 -7.008 1.00 0.00 O ATOM 223 CB TYR A 36 -1.248 -8.464 -9.506 1.00 0.00 C ATOM 224 CG TYR A 36 -0.440 -7.296 -10.075 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.923 -7.235 -9.871 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.075 -6.303 -10.793 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.684 -6.135 -10.407 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.316 -5.203 -11.329 1.00 0.00 C ATOM 229 CZ TYR A 36 1.027 -5.173 -11.110 1.00 0.00 C ATOM 230 OH TYR A 36 1.744 -4.135 -11.616 1.00 0.00 O ATOM 0 H TYR A 36 0.501 -9.347 -8.152 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.400 -7.432 -7.578 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.777 -9.399 -9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.244 -8.453 -9.948 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.420 -8.012 -9.309 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.142 -6.351 -10.953 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.751 -6.076 -10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.801 -4.420 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 36 1.415 -3.917 -12.513 1.00 0.00 H new ATOM 240 N ASP A 37 -2.777 -10.408 -7.919 1.00 0.00 N ATOM 241 CA ASP A 37 -3.964 -11.185 -7.608 1.00 0.00 C ATOM 242 C ASP A 37 -4.168 -11.212 -6.092 1.00 0.00 C ATOM 243 O ASP A 37 -5.253 -10.903 -5.602 1.00 0.00 O ATOM 244 CB ASP A 37 -3.821 -12.629 -8.091 1.00 0.00 C ATOM 245 CG ASP A 37 -3.708 -12.796 -9.608 1.00 0.00 C ATOM 246 OD1 ASP A 37 -4.385 -12.020 -10.316 1.00 0.00 O ATOM 247 OD2 ASP A 37 -2.946 -13.695 -10.024 1.00 0.00 O ATOM 0 H ASP A 37 -2.042 -10.927 -8.400 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.812 -10.720 -8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.937 -13.066 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.681 -13.200 -7.741 1.00 0.00 H new ATOM 252 N SER A 38 -3.107 -11.583 -5.391 1.00 0.00 N ATOM 253 CA SER A 38 -3.154 -11.653 -3.941 1.00 0.00 C ATOM 254 C SER A 38 -3.709 -10.346 -3.371 1.00 0.00 C ATOM 255 O SER A 38 -4.655 -10.360 -2.584 1.00 0.00 O ATOM 256 CB SER A 38 -1.771 -11.942 -3.357 1.00 0.00 C ATOM 257 OG SER A 38 -1.726 -13.196 -2.683 1.00 0.00 O ATOM 0 H SER A 38 -2.209 -11.839 -5.801 1.00 0.00 H new ATOM 0 HA SER A 38 -3.815 -12.473 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.031 -11.934 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.498 -11.148 -2.663 1.00 0.00 H new ATOM 0 HG SER A 38 -0.825 -13.343 -2.326 1.00 0.00 H new ATOM 263 N ILE A 39 -3.097 -9.248 -3.789 1.00 0.00 N ATOM 264 CA ILE A 39 -3.517 -7.935 -3.331 1.00 0.00 C ATOM 265 C ILE A 39 -4.936 -7.655 -3.833 1.00 0.00 C ATOM 266 O ILE A 39 -5.735 -7.037 -3.132 1.00 0.00 O ATOM 267 CB ILE A 39 -2.498 -6.872 -3.744 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.184 -7.045 -2.978 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.076 -5.465 -3.579 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.040 -6.310 -3.679 1.00 0.00 C ATOM 0 H ILE A 39 -2.312 -9.241 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.551 -7.904 -2.242 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.274 -7.006 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.298 -6.664 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.944 -8.105 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.331 -4.728 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.963 -5.360 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.346 -5.303 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.882 -6.449 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.087 -6.710 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.273 -5.247 -3.738 1.00 0.00 H new ATOM 282 N LYS A 40 -5.205 -8.122 -5.043 1.00 0.00 N ATOM 283 CA LYS A 40 -6.511 -7.928 -5.647 1.00 0.00 C ATOM 284 C LYS A 40 -7.586 -8.500 -4.719 1.00 0.00 C ATOM 285 O LYS A 40 -8.649 -7.903 -4.553 1.00 0.00 O ATOM 286 CB LYS A 40 -6.542 -8.518 -7.058 1.00 0.00 C ATOM 287 CG LYS A 40 -6.577 -7.411 -8.114 1.00 0.00 C ATOM 288 CD LYS A 40 -7.371 -7.851 -9.345 1.00 0.00 C ATOM 289 CE LYS A 40 -6.510 -8.707 -10.276 1.00 0.00 C ATOM 290 NZ LYS A 40 -7.346 -9.330 -11.328 1.00 0.00 N ATOM 0 H LYS A 40 -4.540 -8.635 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.722 -6.865 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.665 -9.146 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.416 -9.159 -7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.026 -6.513 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.560 -7.151 -8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.249 -8.417 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.732 -6.974 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.737 -8.091 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.001 -9.481 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.746 -9.908 -11.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.068 -9.934 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.812 -8.587 -11.887 1.00 0.00 H new ATOM 304 N ARG A 41 -7.271 -9.648 -4.137 1.00 0.00 N ATOM 305 CA ARG A 41 -8.196 -10.306 -3.230 1.00 0.00 C ATOM 306 C ARG A 41 -8.191 -9.608 -1.868 1.00 0.00 C ATOM 307 O ARG A 41 -9.227 -9.509 -1.213 1.00 0.00 O ATOM 308 CB ARG A 41 -7.830 -11.779 -3.043 1.00 0.00 C ATOM 309 CG ARG A 41 -8.400 -12.634 -4.176 1.00 0.00 C ATOM 310 CD ARG A 41 -7.535 -12.525 -5.434 1.00 0.00 C ATOM 311 NE ARG A 41 -7.963 -13.531 -6.430 1.00 0.00 N ATOM 312 CZ ARG A 41 -7.765 -14.851 -6.298 1.00 0.00 C ATOM 313 NH1 ARG A 41 -7.147 -15.329 -5.210 1.00 0.00 N ATOM 314 NH2 ARG A 41 -8.187 -15.690 -7.254 1.00 0.00 N ATOM 0 H ARG A 41 -6.388 -10.139 -4.276 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.192 -10.245 -3.669 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.746 -11.887 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.214 -12.134 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.456 -13.675 -3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.417 -12.314 -4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.618 -11.524 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.486 -12.677 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.438 -13.200 -7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.827 -14.689 -4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.996 -16.333 -5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.658 -15.325 -8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.037 -16.694 -7.154 1.00 0.00 H new ATOM 328 N LYS A 42 -7.011 -9.142 -1.482 1.00 0.00 N ATOM 329 CA LYS A 42 -6.857 -8.457 -0.210 1.00 0.00 C ATOM 330 C LYS A 42 -7.624 -7.135 -0.252 1.00 0.00 C ATOM 331 O LYS A 42 -8.187 -6.707 0.754 1.00 0.00 O ATOM 332 CB LYS A 42 -5.375 -8.299 0.136 1.00 0.00 C ATOM 333 CG LYS A 42 -4.967 -9.255 1.258 1.00 0.00 C ATOM 334 CD LYS A 42 -5.215 -10.711 0.853 1.00 0.00 C ATOM 335 CE LYS A 42 -6.469 -11.264 1.533 1.00 0.00 C ATOM 336 NZ LYS A 42 -6.341 -12.721 1.752 1.00 0.00 N ATOM 0 H LYS A 42 -6.154 -9.226 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.288 -9.049 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.769 -8.492 -0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.177 -7.271 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.913 -9.114 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.531 -9.024 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.325 -10.777 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.352 -11.319 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.625 -10.760 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.344 -11.059 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.201 -13.079 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.214 -13.200 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.518 -12.910 2.358 1.00 0.00 H new ATOM 350 N ILE A 43 -7.622 -6.523 -1.427 1.00 0.00 N ATOM 351 CA ILE A 43 -8.311 -5.257 -1.613 1.00 0.00 C ATOM 352 C ILE A 43 -9.816 -5.470 -1.441 1.00 0.00 C ATOM 353 O ILE A 43 -10.460 -4.770 -0.660 1.00 0.00 O ATOM 354 CB ILE A 43 -7.929 -4.631 -2.956 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.437 -4.297 -3.001 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.800 -3.411 -3.260 1.00 0.00 C ATOM 357 CD1 ILE A 43 -5.898 -4.382 -4.430 1.00 0.00 C ATOM 0 H ILE A 43 -7.154 -6.880 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.001 -4.540 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.118 -5.364 -3.740 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.273 -3.294 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.887 -4.986 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.508 -2.985 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.847 -3.712 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.667 -2.665 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.835 -4.140 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.041 -5.392 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.433 -3.674 -5.063 1.00 0.00 H new ATOM 369 N SER A 44 -10.333 -6.440 -2.180 1.00 0.00 N ATOM 370 CA SER A 44 -11.750 -6.754 -2.119 1.00 0.00 C ATOM 371 C SER A 44 -12.083 -7.406 -0.776 1.00 0.00 C ATOM 372 O SER A 44 -13.163 -7.189 -0.227 1.00 0.00 O ATOM 373 CB SER A 44 -12.161 -7.673 -3.271 1.00 0.00 C ATOM 374 OG SER A 44 -13.571 -7.670 -3.479 1.00 0.00 O ATOM 0 H SER A 44 -9.795 -7.019 -2.825 1.00 0.00 H new ATOM 0 HA SER A 44 -12.311 -5.824 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.659 -7.355 -4.185 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.828 -8.689 -3.061 1.00 0.00 H new ATOM 0 HG SER A 44 -13.793 -8.267 -4.223 1.00 0.00 H new ATOM 380 N GLU A 45 -11.136 -8.191 -0.283 1.00 0.00 N ATOM 381 CA GLU A 45 -11.316 -8.876 0.985 1.00 0.00 C ATOM 382 C GLU A 45 -11.449 -7.861 2.122 1.00 0.00 C ATOM 383 O GLU A 45 -12.046 -8.157 3.157 1.00 0.00 O ATOM 384 CB GLU A 45 -10.165 -9.849 1.252 1.00 0.00 C ATOM 385 CG GLU A 45 -10.359 -11.152 0.476 1.00 0.00 C ATOM 386 CD GLU A 45 -10.725 -12.301 1.417 1.00 0.00 C ATOM 387 OE1 GLU A 45 -11.877 -12.291 1.904 1.00 0.00 O ATOM 388 OE2 GLU A 45 -9.847 -13.164 1.628 1.00 0.00 O ATOM 0 H GLU A 45 -10.241 -8.368 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.236 -9.458 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.220 -9.388 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.104 -10.062 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.145 -11.023 -0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.445 -11.397 -0.065 1.00 0.00 H new ATOM 395 N LEU A 46 -10.886 -6.684 1.892 1.00 0.00 N ATOM 396 CA LEU A 46 -10.935 -5.624 2.883 1.00 0.00 C ATOM 397 C LEU A 46 -12.233 -4.830 2.712 1.00 0.00 C ATOM 398 O LEU A 46 -12.726 -4.229 3.664 1.00 0.00 O ATOM 399 CB LEU A 46 -9.673 -4.761 2.810 1.00 0.00 C ATOM 400 CG LEU A 46 -9.781 -3.484 1.976 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.062 -2.272 2.866 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.533 -3.285 1.113 1.00 0.00 C ATOM 0 H LEU A 46 -10.393 -6.441 1.033 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.948 -6.045 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.386 -4.485 3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.864 -5.369 2.404 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.627 -3.589 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.134 -1.376 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.001 -2.422 3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.251 -2.153 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.636 -2.370 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.655 -3.210 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.418 -4.134 0.439 1.00 0.00 H new ATOM 414 N GLY A 47 -12.745 -4.854 1.491 1.00 0.00 N ATOM 415 CA GLY A 47 -13.975 -4.145 1.182 1.00 0.00 C ATOM 416 C GLY A 47 -13.714 -2.992 0.209 1.00 0.00 C ATOM 417 O GLY A 47 -14.424 -1.990 0.226 1.00 0.00 O ATOM 0 H GLY A 47 -12.331 -5.353 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.698 -4.836 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.416 -3.758 2.100 1.00 0.00 H new ATOM 421 N PHE A 48 -12.693 -3.176 -0.615 1.00 0.00 N ATOM 422 CA PHE A 48 -12.330 -2.164 -1.591 1.00 0.00 C ATOM 423 C PHE A 48 -12.424 -2.718 -3.015 1.00 0.00 C ATOM 424 O PHE A 48 -12.701 -3.901 -3.208 1.00 0.00 O ATOM 425 CB PHE A 48 -10.880 -1.767 -1.307 1.00 0.00 C ATOM 426 CG PHE A 48 -10.706 -0.902 -0.057 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.796 -0.373 0.562 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.461 -0.660 0.436 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.634 0.431 1.721 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.300 0.141 1.596 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.391 0.671 2.214 1.00 0.00 C ATOM 0 H PHE A 48 -12.106 -4.010 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.007 -1.313 -1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.281 -2.671 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.486 -1.227 -2.168 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.785 -0.565 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.595 -1.078 -0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.499 0.852 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.312 0.330 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.268 1.282 3.096 1.00 0.00 H new ATOM 441 N ASP A 49 -12.186 -1.837 -3.975 1.00 0.00 N ATOM 442 CA ASP A 49 -12.240 -2.223 -5.376 1.00 0.00 C ATOM 443 C ASP A 49 -10.856 -2.047 -6.003 1.00 0.00 C ATOM 444 O ASP A 49 -10.007 -1.345 -5.456 1.00 0.00 O ATOM 445 CB ASP A 49 -13.226 -1.346 -6.151 1.00 0.00 C ATOM 446 CG ASP A 49 -14.504 -2.055 -6.602 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.351 -2.313 -5.720 1.00 0.00 O ATOM 448 OD2 ASP A 49 -14.606 -2.324 -7.819 1.00 0.00 O ATOM 0 H ASP A 49 -11.955 -0.857 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.564 -3.262 -5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.501 -0.496 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.720 -0.946 -7.030 1.00 0.00 H new ATOM 453 N VAL A 50 -10.670 -2.695 -7.144 1.00 0.00 N ATOM 454 CA VAL A 50 -9.404 -2.619 -7.851 1.00 0.00 C ATOM 455 C VAL A 50 -9.670 -2.517 -9.354 1.00 0.00 C ATOM 456 O VAL A 50 -10.484 -3.261 -9.896 1.00 0.00 O ATOM 457 CB VAL A 50 -8.523 -3.814 -7.480 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.347 -5.104 -7.420 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.352 -3.957 -8.453 1.00 0.00 C ATOM 0 H VAL A 50 -11.376 -3.276 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.856 -1.725 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.112 -3.631 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.698 -5.938 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.131 -5.001 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.800 -5.292 -8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.743 -4.814 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.734 -4.106 -9.463 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.743 -3.053 -8.425 1.00 0.00 H new ATOM 469 N LYS A 51 -8.967 -1.587 -9.985 1.00 0.00 N ATOM 470 CA LYS A 51 -9.118 -1.377 -11.415 1.00 0.00 C ATOM 471 C LYS A 51 -7.842 -1.830 -12.129 1.00 0.00 C ATOM 472 O LYS A 51 -6.741 -1.656 -11.609 1.00 0.00 O ATOM 473 CB LYS A 51 -9.503 0.075 -11.706 1.00 0.00 C ATOM 474 CG LYS A 51 -10.628 0.540 -10.777 1.00 0.00 C ATOM 475 CD LYS A 51 -11.921 -0.227 -11.056 1.00 0.00 C ATOM 476 CE LYS A 51 -12.569 0.245 -12.359 1.00 0.00 C ATOM 477 NZ LYS A 51 -13.402 1.445 -12.119 1.00 0.00 N ATOM 0 H LYS A 51 -8.292 -0.971 -9.532 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.936 -1.983 -11.805 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.632 0.718 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.821 0.170 -12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.331 0.394 -9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.798 1.608 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.709 -1.294 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.617 -0.087 -10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.797 0.472 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.183 -0.553 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.834 1.752 -13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.150 1.217 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.808 2.210 -11.741 1.00 0.00 H new ATOM 491 N SER A 52 -8.034 -2.401 -13.309 1.00 0.00 N ATOM 492 CA SER A 52 -6.912 -2.880 -14.099 1.00 0.00 C ATOM 493 C SER A 52 -6.636 -1.914 -15.253 1.00 0.00 C ATOM 494 O SER A 52 -7.347 -1.920 -16.257 1.00 0.00 O ATOM 495 CB SER A 52 -7.178 -4.287 -14.636 1.00 0.00 C ATOM 496 OG SER A 52 -8.288 -4.317 -15.530 1.00 0.00 O ATOM 0 H SER A 52 -8.949 -2.543 -13.737 1.00 0.00 H new ATOM 0 HA SER A 52 -6.034 -2.927 -13.455 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.289 -4.653 -15.150 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.366 -4.964 -13.802 1.00 0.00 H new ATOM 0 HG SER A 52 -8.296 -3.499 -16.069 1.00 0.00 H new ATOM 502 N GLU A 53 -5.600 -1.107 -15.074 1.00 0.00 N ATOM 503 CA GLU A 53 -5.221 -0.139 -16.087 1.00 0.00 C ATOM 504 C GLU A 53 -3.920 -0.565 -16.769 1.00 0.00 C ATOM 505 O GLU A 53 -2.832 -0.297 -16.262 1.00 0.00 O ATOM 506 CB GLU A 53 -5.091 1.262 -15.485 1.00 0.00 C ATOM 507 CG GLU A 53 -6.121 2.218 -16.091 1.00 0.00 C ATOM 508 CD GLU A 53 -5.543 2.952 -17.302 1.00 0.00 C ATOM 509 OE1 GLU A 53 -4.528 3.655 -17.107 1.00 0.00 O ATOM 510 OE2 GLU A 53 -6.127 2.793 -18.396 1.00 0.00 O ATOM 0 H GLU A 53 -5.011 -1.105 -14.241 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.008 -0.104 -16.840 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.228 1.212 -14.405 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.086 1.645 -15.661 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.009 1.660 -16.389 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.437 2.942 -15.340 1.00 0.00 H new ATOM 517 N GLY A 54 -4.074 -1.224 -17.909 1.00 0.00 N ATOM 518 CA GLY A 54 -2.926 -1.690 -18.665 1.00 0.00 C ATOM 519 C GLY A 54 -2.207 -2.822 -17.929 1.00 0.00 C ATOM 520 O GLY A 54 -2.719 -3.939 -17.850 1.00 0.00 O ATOM 0 H GLY A 54 -4.978 -1.446 -18.327 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.249 -2.037 -19.646 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.235 -0.863 -18.831 1.00 0.00 H new ATOM 524 N ASP A 55 -1.033 -2.496 -17.409 1.00 0.00 N ATOM 525 CA ASP A 55 -0.240 -3.473 -16.682 1.00 0.00 C ATOM 526 C ASP A 55 -0.076 -3.014 -15.233 1.00 0.00 C ATOM 527 O ASP A 55 0.537 -3.707 -14.423 1.00 0.00 O ATOM 528 CB ASP A 55 1.156 -3.613 -17.294 1.00 0.00 C ATOM 529 CG ASP A 55 1.189 -4.205 -18.704 1.00 0.00 C ATOM 530 OD1 ASP A 55 1.020 -5.439 -18.806 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.379 -3.409 -19.649 1.00 0.00 O ATOM 0 H ASP A 55 -0.612 -1.569 -17.477 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.756 -4.432 -16.734 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.626 -2.630 -17.318 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.762 -4.239 -16.639 1.00 0.00 H new ATOM 536 N LEU A 56 -0.637 -1.847 -14.948 1.00 0.00 N ATOM 537 CA LEU A 56 -0.562 -1.287 -13.610 1.00 0.00 C ATOM 538 C LEU A 56 -1.839 -1.635 -12.844 1.00 0.00 C ATOM 539 O LEU A 56 -2.887 -1.862 -13.446 1.00 0.00 O ATOM 540 CB LEU A 56 -0.272 0.214 -13.672 1.00 0.00 C ATOM 541 CG LEU A 56 0.882 0.637 -14.585 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.548 1.914 -14.070 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.886 -0.502 -14.761 1.00 0.00 C ATOM 0 H LEU A 56 -1.145 -1.274 -15.622 1.00 0.00 H new ATOM 0 HA LEU A 56 0.270 -1.726 -13.060 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.176 0.725 -14.002 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.058 0.565 -12.662 1.00 0.00 H new ATOM 0 HG LEU A 56 0.474 0.862 -15.570 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.364 2.193 -14.736 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.814 2.720 -14.038 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.941 1.741 -13.068 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.696 -0.176 -15.414 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.293 -0.781 -13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.386 -1.362 -15.206 1.00 0.00 H new ATOM 555 N ILE A 57 -1.710 -1.666 -11.524 1.00 0.00 N ATOM 556 CA ILE A 57 -2.842 -1.982 -10.670 1.00 0.00 C ATOM 557 C ILE A 57 -3.322 -0.707 -9.976 1.00 0.00 C ATOM 558 O ILE A 57 -2.515 0.099 -9.520 1.00 0.00 O ATOM 559 CB ILE A 57 -2.481 -3.110 -9.701 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.671 -4.050 -9.487 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.947 -2.551 -8.382 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.384 -5.050 -8.366 1.00 0.00 C ATOM 0 H ILE A 57 -0.840 -1.478 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.676 -2.356 -11.264 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.680 -3.700 -10.147 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.559 -3.468 -9.242 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.887 -4.586 -10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.698 -3.374 -7.712 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.054 -1.957 -8.574 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.708 -1.923 -7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.245 -5.706 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.510 -5.647 -8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.193 -4.511 -7.438 1.00 0.00 H new ATOM 574 N ILE A 58 -4.639 -0.564 -9.918 1.00 0.00 N ATOM 575 CA ILE A 58 -5.239 0.600 -9.286 1.00 0.00 C ATOM 576 C ILE A 58 -6.076 0.149 -8.088 1.00 0.00 C ATOM 577 O ILE A 58 -6.811 -0.833 -8.173 1.00 0.00 O ATOM 578 CB ILE A 58 -6.023 1.420 -10.312 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.163 1.732 -11.539 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.596 2.690 -9.677 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.939 2.566 -11.153 1.00 0.00 C ATOM 0 H ILE A 58 -5.307 -1.235 -10.298 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.467 1.267 -8.902 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.867 0.821 -10.654 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.841 0.802 -12.008 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.757 2.272 -12.276 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.149 3.255 -10.428 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.266 2.418 -8.861 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.782 3.302 -9.289 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.345 2.774 -12.043 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.265 3.506 -10.707 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.334 2.013 -10.434 1.00 0.00 H new ATOM 593 N ALA A 59 -5.939 0.892 -6.999 1.00 0.00 N ATOM 594 CA ALA A 59 -6.673 0.581 -5.785 1.00 0.00 C ATOM 595 C ALA A 59 -7.827 1.574 -5.624 1.00 0.00 C ATOM 596 O ALA A 59 -7.665 2.766 -5.880 1.00 0.00 O ATOM 597 CB ALA A 59 -5.719 0.600 -4.591 1.00 0.00 C ATOM 0 H ALA A 59 -5.331 1.708 -6.933 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.102 -0.419 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.271 0.367 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.935 -0.142 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.270 1.589 -4.500 1.00 0.00 H new ATOM 603 N SER A 60 -8.966 1.046 -5.202 1.00 0.00 N ATOM 604 CA SER A 60 -10.146 1.871 -5.003 1.00 0.00 C ATOM 605 C SER A 60 -10.459 1.988 -3.511 1.00 0.00 C ATOM 606 O SER A 60 -11.102 1.111 -2.937 1.00 0.00 O ATOM 607 CB SER A 60 -11.350 1.298 -5.755 1.00 0.00 C ATOM 608 OG SER A 60 -12.247 2.320 -6.183 1.00 0.00 O ATOM 0 H SER A 60 -9.097 0.057 -4.992 1.00 0.00 H new ATOM 0 HA SER A 60 -9.940 2.864 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.002 0.735 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.880 0.597 -5.110 1.00 0.00 H new ATOM 0 HG SER A 60 -13.001 1.915 -6.660 1.00 0.00 H new ATOM 614 N ILE A 61 -9.986 3.079 -2.924 1.00 0.00 N ATOM 615 CA ILE A 61 -10.208 3.323 -1.509 1.00 0.00 C ATOM 616 C ILE A 61 -10.939 4.655 -1.333 1.00 0.00 C ATOM 617 O ILE A 61 -10.820 5.547 -2.171 1.00 0.00 O ATOM 618 CB ILE A 61 -8.889 3.238 -0.738 1.00 0.00 C ATOM 619 CG1 ILE A 61 -8.023 4.472 -0.997 1.00 0.00 C ATOM 620 CG2 ILE A 61 -8.148 1.939 -1.062 1.00 0.00 C ATOM 621 CD1 ILE A 61 -6.774 4.462 -0.112 1.00 0.00 C ATOM 0 H ILE A 61 -9.450 3.803 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.849 2.550 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.116 3.222 0.328 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.729 4.501 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.603 5.375 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.214 1.903 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.770 1.087 -0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.932 1.900 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.176 5.350 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.071 4.458 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.184 3.571 -0.325 1.00 0.00 H new ATOM 633 N PRO A 62 -11.698 4.750 -0.209 1.00 0.00 N ATOM 634 CA PRO A 62 -12.448 5.960 0.088 1.00 0.00 C ATOM 635 C PRO A 62 -11.520 7.073 0.578 1.00 0.00 C ATOM 636 O PRO A 62 -10.634 6.833 1.395 1.00 0.00 O ATOM 637 CB PRO A 62 -13.474 5.541 1.128 1.00 0.00 C ATOM 638 CG PRO A 62 -12.964 4.234 1.715 1.00 0.00 C ATOM 639 CD PRO A 62 -11.862 3.714 0.807 1.00 0.00 C ATOM 0 HA PRO A 62 -12.939 6.377 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.579 6.302 1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.457 5.409 0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.584 4.391 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.773 3.507 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.937 3.552 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.136 2.759 0.358 1.00 0.00 H new ATOM 647 N GLY A 63 -11.758 8.268 0.058 1.00 0.00 N ATOM 648 CA GLY A 63 -10.955 9.421 0.432 1.00 0.00 C ATOM 649 C GLY A 63 -9.889 9.711 -0.624 1.00 0.00 C ATOM 650 O GLY A 63 -9.431 10.846 -0.754 1.00 0.00 O ATOM 0 H GLY A 63 -12.495 8.463 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.598 10.293 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.478 9.240 1.395 1.00 0.00 H new ATOM 654 N ILE A 64 -9.523 8.667 -1.355 1.00 0.00 N ATOM 655 CA ILE A 64 -8.519 8.797 -2.397 1.00 0.00 C ATOM 656 C ILE A 64 -9.198 8.726 -3.767 1.00 0.00 C ATOM 657 O ILE A 64 -10.332 8.264 -3.877 1.00 0.00 O ATOM 658 CB ILE A 64 -7.411 7.760 -2.205 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.575 8.073 -0.963 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.548 7.640 -3.463 1.00 0.00 C ATOM 661 CD1 ILE A 64 -5.209 7.388 -1.034 1.00 0.00 C ATOM 0 H ILE A 64 -9.904 7.727 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.029 9.769 -2.335 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.878 6.789 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.441 9.151 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.106 7.742 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.768 6.896 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.171 7.334 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.090 8.604 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.635 7.627 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.346 6.309 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.671 7.739 -1.914 1.00 0.00 H new ATOM 673 N SER A 65 -8.476 9.190 -4.775 1.00 0.00 N ATOM 674 CA SER A 65 -8.994 9.184 -6.132 1.00 0.00 C ATOM 675 C SER A 65 -8.491 7.948 -6.880 1.00 0.00 C ATOM 676 O SER A 65 -9.284 7.103 -7.293 1.00 0.00 O ATOM 677 CB SER A 65 -8.592 10.458 -6.880 1.00 0.00 C ATOM 678 OG SER A 65 -9.177 10.521 -8.179 1.00 0.00 O ATOM 0 H SER A 65 -7.536 9.573 -4.679 1.00 0.00 H new ATOM 0 HA SER A 65 -10.082 9.152 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.898 11.330 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.506 10.499 -6.969 1.00 0.00 H new ATOM 0 HG SER A 65 -8.898 11.349 -8.624 1.00 0.00 H new ATOM 684 N ARG A 66 -7.176 7.882 -7.029 1.00 0.00 N ATOM 685 CA ARG A 66 -6.558 6.762 -7.721 1.00 0.00 C ATOM 686 C ARG A 66 -5.112 6.584 -7.253 1.00 0.00 C ATOM 687 O ARG A 66 -4.369 7.559 -7.132 1.00 0.00 O ATOM 688 CB ARG A 66 -6.574 6.972 -9.236 1.00 0.00 C ATOM 689 CG ARG A 66 -5.805 8.239 -9.622 1.00 0.00 C ATOM 690 CD ARG A 66 -4.573 7.896 -10.462 1.00 0.00 C ATOM 691 NE ARG A 66 -4.400 8.896 -11.539 1.00 0.00 N ATOM 692 CZ ARG A 66 -3.682 8.686 -12.651 1.00 0.00 C ATOM 693 NH1 ARG A 66 -3.063 7.512 -12.838 1.00 0.00 N ATOM 694 NH2 ARG A 66 -3.581 9.652 -13.575 1.00 0.00 N ATOM 0 H ARG A 66 -6.522 8.584 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.134 5.867 -7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.131 6.108 -9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.604 7.046 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.457 8.908 -10.183 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.499 8.772 -8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.686 7.874 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.682 6.901 -10.893 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.856 9.802 -11.428 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.138 6.778 -12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.517 7.353 -13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.050 10.546 -13.431 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.035 9.493 -14.422 1.00 0.00 H new ATOM 708 N ILE A 67 -4.754 5.333 -7.004 1.00 0.00 N ATOM 709 CA ILE A 67 -3.409 5.015 -6.553 1.00 0.00 C ATOM 710 C ILE A 67 -2.883 3.814 -7.340 1.00 0.00 C ATOM 711 O ILE A 67 -3.655 2.942 -7.740 1.00 0.00 O ATOM 712 CB ILE A 67 -3.387 4.814 -5.037 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.413 3.764 -4.607 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.584 6.142 -4.305 1.00 0.00 C ATOM 715 CD1 ILE A 67 -5.727 4.424 -4.182 1.00 0.00 C ATOM 0 H ILE A 67 -5.371 4.528 -7.106 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.733 5.847 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.404 4.435 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.598 3.073 -5.429 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.013 3.176 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.564 5.971 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.784 6.830 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.545 6.573 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.439 3.656 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.542 5.096 -3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.136 4.991 -5.018 1.00 0.00 H new ATOM 727 N GLU A 68 -1.573 3.804 -7.540 1.00 0.00 N ATOM 728 CA GLU A 68 -0.934 2.725 -8.273 1.00 0.00 C ATOM 729 C GLU A 68 -0.126 1.842 -7.319 1.00 0.00 C ATOM 730 O GLU A 68 0.579 2.348 -6.447 1.00 0.00 O ATOM 731 CB GLU A 68 -0.052 3.271 -9.397 1.00 0.00 C ATOM 732 CG GLU A 68 -0.738 3.121 -10.756 1.00 0.00 C ATOM 733 CD GLU A 68 -0.003 3.921 -11.833 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.835 4.763 -11.442 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.295 3.673 -13.023 1.00 0.00 O ATOM 0 H GLU A 68 -0.936 4.528 -7.206 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.711 2.114 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.170 4.322 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.901 2.741 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.769 2.068 -11.037 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.771 3.463 -10.686 1.00 0.00 H new ATOM 742 N ILE A 69 -0.255 0.539 -7.518 1.00 0.00 N ATOM 743 CA ILE A 69 0.456 -0.418 -6.687 1.00 0.00 C ATOM 744 C ILE A 69 1.386 -1.258 -7.564 1.00 0.00 C ATOM 745 O ILE A 69 1.011 -1.665 -8.663 1.00 0.00 O ATOM 746 CB ILE A 69 -0.531 -1.252 -5.866 1.00 0.00 C ATOM 747 CG1 ILE A 69 -1.893 -0.560 -5.778 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.039 -1.572 -4.483 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.837 0.644 -4.834 1.00 0.00 C ATOM 0 H ILE A 69 -0.841 0.123 -8.242 1.00 0.00 H new ATOM 0 HA ILE A 69 1.083 0.101 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.684 -2.202 -6.379 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.204 -0.234 -6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.643 -1.268 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.682 -2.165 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.965 -2.136 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.240 -0.644 -3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.818 1.118 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.549 0.311 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.104 1.362 -5.203 1.00 0.00 H new ATOM 761 N LYS A 70 2.584 -1.490 -7.047 1.00 0.00 N ATOM 762 CA LYS A 70 3.572 -2.272 -7.771 1.00 0.00 C ATOM 763 C LYS A 70 4.187 -3.308 -6.826 1.00 0.00 C ATOM 764 O LYS A 70 5.204 -3.044 -6.188 1.00 0.00 O ATOM 765 CB LYS A 70 4.603 -1.355 -8.432 1.00 0.00 C ATOM 766 CG LYS A 70 4.399 -1.306 -9.949 1.00 0.00 C ATOM 767 CD LYS A 70 3.471 -0.155 -10.340 1.00 0.00 C ATOM 768 CE LYS A 70 4.261 1.137 -10.554 1.00 0.00 C ATOM 769 NZ LYS A 70 3.585 2.000 -11.550 1.00 0.00 N ATOM 0 H LYS A 70 2.893 -1.150 -6.136 1.00 0.00 H new ATOM 0 HA LYS A 70 3.100 -2.821 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.520 -0.350 -8.017 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.609 -1.711 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.362 -1.186 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.978 -2.251 -10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.932 -0.411 -11.252 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.724 -0.004 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.359 1.671 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.270 0.901 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.943 2.973 -11.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.777 1.642 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.560 1.992 -11.377 1.00 0.00 H new ATOM 783 N PRO A 71 3.525 -4.495 -6.765 1.00 0.00 N ATOM 784 CA PRO A 71 3.996 -5.571 -5.910 1.00 0.00 C ATOM 785 C PRO A 71 5.230 -6.248 -6.510 1.00 0.00 C ATOM 786 O PRO A 71 5.246 -6.582 -7.694 1.00 0.00 O ATOM 787 CB PRO A 71 2.811 -6.511 -5.772 1.00 0.00 C ATOM 788 CG PRO A 71 1.875 -6.173 -6.921 1.00 0.00 C ATOM 789 CD PRO A 71 2.318 -4.842 -7.508 1.00 0.00 C ATOM 0 HA PRO A 71 4.323 -5.218 -4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.130 -7.552 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.315 -6.375 -4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.906 -6.954 -7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.845 -6.111 -6.569 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.521 -4.927 -8.576 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.547 -4.080 -7.390 1.00 0.00 H new ATOM 797 N ASP A 72 6.233 -6.432 -5.666 1.00 0.00 N ATOM 798 CA ASP A 72 7.470 -7.063 -6.097 1.00 0.00 C ATOM 799 C ASP A 72 7.930 -8.056 -5.029 1.00 0.00 C ATOM 800 O ASP A 72 7.686 -7.853 -3.840 1.00 0.00 O ATOM 801 CB ASP A 72 8.580 -6.029 -6.292 1.00 0.00 C ATOM 802 CG ASP A 72 9.318 -6.115 -7.628 1.00 0.00 C ATOM 803 OD1 ASP A 72 9.685 -7.250 -8.002 1.00 0.00 O ATOM 804 OD2 ASP A 72 9.497 -5.043 -8.247 1.00 0.00 O ATOM 0 H ASP A 72 6.215 -6.155 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 72 7.278 -7.566 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.148 -5.033 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.305 -6.141 -5.486 1.00 0.00 H new ATOM 809 N LYS A 73 8.588 -9.110 -5.490 1.00 0.00 N ATOM 810 CA LYS A 73 9.085 -10.136 -4.588 1.00 0.00 C ATOM 811 C LYS A 73 9.979 -9.488 -3.530 1.00 0.00 C ATOM 812 O LYS A 73 9.887 -9.818 -2.348 1.00 0.00 O ATOM 813 CB LYS A 73 9.773 -11.253 -5.375 1.00 0.00 C ATOM 814 CG LYS A 73 8.790 -12.376 -5.709 1.00 0.00 C ATOM 815 CD LYS A 73 9.424 -13.749 -5.479 1.00 0.00 C ATOM 816 CE LYS A 73 8.393 -14.865 -5.648 1.00 0.00 C ATOM 817 NZ LYS A 73 7.550 -14.982 -4.436 1.00 0.00 N ATOM 0 H LYS A 73 8.789 -9.276 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 73 8.259 -10.612 -4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.194 -10.848 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.604 -11.653 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.896 -12.277 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.472 -12.288 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.244 -13.897 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.851 -13.793 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.766 -14.660 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.900 -15.811 -5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.856 -15.745 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.150 -15.199 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.051 -14.084 -4.272 1.00 0.00 H new ATOM 831 N ARG A 74 10.823 -8.578 -3.990 1.00 0.00 N ATOM 832 CA ARG A 74 11.733 -7.881 -3.097 1.00 0.00 C ATOM 833 C ARG A 74 10.948 -7.009 -2.114 1.00 0.00 C ATOM 834 O ARG A 74 10.980 -7.246 -0.908 1.00 0.00 O ATOM 835 CB ARG A 74 12.708 -7.000 -3.882 1.00 0.00 C ATOM 836 CG ARG A 74 14.154 -7.448 -3.655 1.00 0.00 C ATOM 837 CD ARG A 74 15.093 -6.801 -4.675 1.00 0.00 C ATOM 838 NE ARG A 74 15.898 -7.842 -5.353 1.00 0.00 N ATOM 839 CZ ARG A 74 15.483 -8.536 -6.422 1.00 0.00 C ATOM 840 NH1 ARG A 74 14.269 -8.304 -6.940 1.00 0.00 N ATOM 841 NH2 ARG A 74 16.280 -9.462 -6.972 1.00 0.00 N ATOM 0 H ARG A 74 10.896 -8.306 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 74 12.300 -8.633 -2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.471 -7.047 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.593 -5.960 -3.575 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.467 -7.181 -2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.219 -8.533 -3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.515 -6.241 -5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.750 -6.089 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 74 16.827 -8.044 -4.983 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.662 -7.600 -6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.952 -8.832 -7.753 1.00 0.00 H new ATOM 0 HH21 ARG A 74 17.204 -9.639 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 74 15.963 -9.990 -7.785 1.00 0.00 H new ATOM 855 N LYS A 75 10.263 -6.019 -2.667 1.00 0.00 N ATOM 856 CA LYS A 75 9.471 -5.112 -1.854 1.00 0.00 C ATOM 857 C LYS A 75 8.286 -4.600 -2.676 1.00 0.00 C ATOM 858 O LYS A 75 7.982 -5.141 -3.737 1.00 0.00 O ATOM 859 CB LYS A 75 10.351 -3.999 -1.283 1.00 0.00 C ATOM 860 CG LYS A 75 11.018 -3.198 -2.404 1.00 0.00 C ATOM 861 CD LYS A 75 10.103 -2.074 -2.894 1.00 0.00 C ATOM 862 CE LYS A 75 10.919 -0.912 -3.463 1.00 0.00 C ATOM 863 NZ LYS A 75 11.376 -1.222 -4.836 1.00 0.00 N ATOM 0 H LYS A 75 10.240 -5.825 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 75 9.058 -5.634 -0.991 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.747 -3.334 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.114 -4.430 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.957 -2.777 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.262 -3.861 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.427 -2.457 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.484 -1.719 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.314 -0.005 -3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.779 -0.716 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.400 -1.055 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.172 -2.218 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.878 -0.611 -5.514 1.00 0.00 H new ATOM 877 N ILE A 76 7.650 -3.561 -2.154 1.00 0.00 N ATOM 878 CA ILE A 76 6.507 -2.970 -2.826 1.00 0.00 C ATOM 879 C ILE A 76 6.564 -1.449 -2.680 1.00 0.00 C ATOM 880 O ILE A 76 7.169 -0.934 -1.741 1.00 0.00 O ATOM 881 CB ILE A 76 5.204 -3.587 -2.311 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.726 -2.879 -1.040 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.357 -5.096 -2.102 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.371 -3.424 -0.585 1.00 0.00 C ATOM 0 H ILE A 76 7.905 -3.114 -1.273 1.00 0.00 H new ATOM 0 HA ILE A 76 6.539 -3.190 -3.893 1.00 0.00 H new ATOM 0 HB ILE A 76 4.435 -3.442 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.461 -3.013 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.648 -1.807 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.417 -5.510 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.618 -5.570 -3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.145 -5.284 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.055 -2.904 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.633 -3.266 -1.371 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.459 -4.491 -0.378 1.00 0.00 H new ATOM 896 N LEU A 77 5.928 -0.770 -3.623 1.00 0.00 N ATOM 897 CA LEU A 77 5.901 0.682 -3.612 1.00 0.00 C ATOM 898 C LEU A 77 4.509 1.165 -4.028 1.00 0.00 C ATOM 899 O LEU A 77 3.796 0.468 -4.747 1.00 0.00 O ATOM 900 CB LEU A 77 7.030 1.247 -4.476 1.00 0.00 C ATOM 901 CG LEU A 77 7.527 0.342 -5.606 1.00 0.00 C ATOM 902 CD1 LEU A 77 8.217 -0.903 -5.048 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.387 -0.014 -6.564 1.00 0.00 C ATOM 0 H LEU A 77 5.427 -1.200 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 77 6.083 1.058 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.691 2.187 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.874 1.482 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 77 8.272 0.891 -6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.560 -1.529 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.070 -0.604 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.513 -1.465 -4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.766 -0.658 -7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.602 -0.536 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.980 0.898 -7.000 1.00 0.00 H new ATOM 915 N VAL A 78 4.166 2.354 -3.556 1.00 0.00 N ATOM 916 CA VAL A 78 2.872 2.939 -3.869 1.00 0.00 C ATOM 917 C VAL A 78 3.064 4.396 -4.292 1.00 0.00 C ATOM 918 O VAL A 78 3.966 5.074 -3.803 1.00 0.00 O ATOM 919 CB VAL A 78 1.924 2.782 -2.678 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.490 2.533 -3.146 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.399 1.667 -1.743 1.00 0.00 C ATOM 0 H VAL A 78 4.761 2.929 -2.959 1.00 0.00 H new ATOM 0 HA VAL A 78 2.410 2.416 -4.706 1.00 0.00 H new ATOM 0 HB VAL A 78 1.934 3.716 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.162 2.425 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.153 3.375 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.455 1.621 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.708 1.576 -0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.433 0.724 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.394 1.906 -1.368 1.00 0.00 H new ATOM 931 N ASN A 79 2.203 4.834 -5.198 1.00 0.00 N ATOM 932 CA ASN A 79 2.267 6.199 -5.693 1.00 0.00 C ATOM 933 C ASN A 79 0.858 6.792 -5.724 1.00 0.00 C ATOM 934 O ASN A 79 -0.059 6.197 -6.288 1.00 0.00 O ATOM 935 CB ASN A 79 2.830 6.243 -7.115 1.00 0.00 C ATOM 936 CG ASN A 79 2.570 4.925 -7.848 1.00 0.00 C ATOM 937 OD1 ASN A 79 1.625 4.206 -7.572 1.00 0.00 O ATOM 938 ND2 ASN A 79 3.463 4.649 -8.795 1.00 0.00 N ATOM 0 H ASN A 79 1.457 4.268 -5.603 1.00 0.00 H new ATOM 0 HA ASN A 79 2.918 6.768 -5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.374 7.066 -7.665 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.902 6.439 -7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.379 3.791 -9.341 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.231 5.295 -8.975 1.00 0.00 H new ATOM 945 N THR A 80 0.728 7.959 -5.107 1.00 0.00 N ATOM 946 CA THR A 80 -0.556 8.639 -5.057 1.00 0.00 C ATOM 947 C THR A 80 -0.638 9.704 -6.153 1.00 0.00 C ATOM 948 O THR A 80 0.365 10.329 -6.494 1.00 0.00 O ATOM 949 CB THR A 80 -0.735 9.205 -3.646 1.00 0.00 C ATOM 950 OG1 THR A 80 0.322 10.154 -3.515 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.442 8.170 -2.559 1.00 0.00 C ATOM 0 H THR A 80 1.490 8.450 -4.638 1.00 0.00 H new ATOM 0 HA THR A 80 -1.377 7.950 -5.254 1.00 0.00 H new ATOM 0 HB THR A 80 -1.754 9.575 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.280 10.570 -2.629 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.584 8.623 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.120 7.324 -2.670 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.587 7.824 -2.654 1.00 0.00 H new ATOM 959 N GLY A 81 -1.844 9.876 -6.675 1.00 0.00 N ATOM 960 CA GLY A 81 -2.071 10.854 -7.726 1.00 0.00 C ATOM 961 C GLY A 81 -2.682 12.137 -7.159 1.00 0.00 C ATOM 962 O GLY A 81 -1.971 12.974 -6.605 1.00 0.00 O ATOM 0 H GLY A 81 -2.673 9.355 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.129 11.085 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.735 10.434 -8.481 1.00 0.00 H new ATOM 966 N ASP A 82 -3.993 12.250 -7.318 1.00 0.00 N ATOM 967 CA ASP A 82 -4.706 13.417 -6.828 1.00 0.00 C ATOM 968 C ASP A 82 -5.684 12.989 -5.732 1.00 0.00 C ATOM 969 O ASP A 82 -6.645 12.269 -5.999 1.00 0.00 O ATOM 970 CB ASP A 82 -5.512 14.078 -7.948 1.00 0.00 C ATOM 971 CG ASP A 82 -5.511 15.608 -7.928 1.00 0.00 C ATOM 972 OD1 ASP A 82 -5.310 16.162 -6.826 1.00 0.00 O ATOM 973 OD2 ASP A 82 -5.710 16.190 -9.017 1.00 0.00 O ATOM 0 H ASP A 82 -4.579 11.554 -7.779 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.972 14.125 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.117 13.742 -8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.543 13.729 -7.888 1.00 0.00 H new ATOM 978 N TYR A 83 -5.404 13.450 -4.522 1.00 0.00 N ATOM 979 CA TYR A 83 -6.247 13.123 -3.384 1.00 0.00 C ATOM 980 C TYR A 83 -7.565 13.900 -3.436 1.00 0.00 C ATOM 981 O TYR A 83 -7.665 14.911 -4.128 1.00 0.00 O ATOM 982 CB TYR A 83 -5.465 13.553 -2.141 1.00 0.00 C ATOM 983 CG TYR A 83 -4.742 12.405 -1.433 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.201 11.371 -2.168 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.633 12.403 -0.056 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.521 10.291 -1.500 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.954 11.325 0.611 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.432 10.321 -0.144 1.00 0.00 C ATOM 989 OH TYR A 83 -2.790 9.301 0.486 1.00 0.00 O ATOM 0 H TYR A 83 -4.606 14.047 -4.305 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.488 12.060 -3.379 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.733 14.308 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.151 14.025 -1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.287 11.371 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -5.058 13.212 0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.092 9.476 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.861 11.313 1.687 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.802 9.455 1.454 1.00 0.00 H new ATOM 999 N ASP A 84 -8.541 13.396 -2.695 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.847 14.029 -2.649 1.00 0.00 C ATOM 1001 C ASP A 84 -9.670 15.543 -2.500 1.00 0.00 C ATOM 1002 O ASP A 84 -8.565 16.021 -2.250 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.660 13.530 -1.452 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.786 12.554 -1.796 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -11.457 11.372 -2.037 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -12.949 13.011 -1.814 1.00 0.00 O ATOM 0 H ASP A 84 -8.453 12.557 -2.122 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.373 13.783 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.983 13.046 -0.748 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.090 14.391 -0.940 1.00 0.00 H new ATOM 1011 N SER A 85 -10.777 16.254 -2.661 1.00 0.00 N ATOM 1012 CA SER A 85 -10.758 17.702 -2.550 1.00 0.00 C ATOM 1013 C SER A 85 -11.254 18.128 -1.166 1.00 0.00 C ATOM 1014 O SER A 85 -10.507 18.721 -0.391 1.00 0.00 O ATOM 1015 CB SER A 85 -11.612 18.351 -3.642 1.00 0.00 C ATOM 1016 OG SER A 85 -10.953 18.352 -4.905 1.00 0.00 O ATOM 0 H SER A 85 -11.692 15.854 -2.867 1.00 0.00 H new ATOM 0 HA SER A 85 -9.730 18.040 -2.681 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.558 17.817 -3.727 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.849 19.376 -3.356 1.00 0.00 H new ATOM 0 HG SER A 85 -11.531 18.773 -5.575 1.00 0.00 H new ATOM 1022 N ASP A 86 -12.510 17.805 -0.898 1.00 0.00 N ATOM 1023 CA ASP A 86 -13.114 18.145 0.379 1.00 0.00 C ATOM 1024 C ASP A 86 -13.111 16.912 1.285 1.00 0.00 C ATOM 1025 O ASP A 86 -14.149 16.529 1.822 1.00 0.00 O ATOM 1026 CB ASP A 86 -14.565 18.597 0.199 1.00 0.00 C ATOM 1027 CG ASP A 86 -14.744 20.073 -0.154 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -14.369 20.434 -1.291 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -15.251 20.809 0.719 1.00 0.00 O ATOM 0 H ASP A 86 -13.126 17.311 -1.543 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.536 18.957 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.023 17.994 -0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.111 18.391 1.120 1.00 0.00 H new ATOM 1034 N ALA A 87 -11.932 16.325 1.427 1.00 0.00 N ATOM 1035 CA ALA A 87 -11.780 15.144 2.258 1.00 0.00 C ATOM 1036 C ALA A 87 -10.627 15.361 3.241 1.00 0.00 C ATOM 1037 O ALA A 87 -9.573 15.870 2.864 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.564 13.917 1.370 1.00 0.00 C ATOM 0 H ALA A 87 -11.073 16.646 0.980 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.684 14.969 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.450 13.031 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.423 13.789 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.665 14.056 0.770 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.868 14.965 4.482 1.00 0.00 N ATOM 1045 CA ASP A 88 -9.863 15.110 5.522 1.00 0.00 C ATOM 1046 C ASP A 88 -8.579 14.398 5.088 1.00 0.00 C ATOM 1047 O ASP A 88 -8.488 13.174 5.166 1.00 0.00 O ATOM 1048 CB ASP A 88 -10.333 14.480 6.834 1.00 0.00 C ATOM 1049 CG ASP A 88 -11.283 15.346 7.664 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -10.797 16.358 8.210 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -12.474 14.975 7.731 1.00 0.00 O ATOM 0 H ASP A 88 -11.744 14.544 4.791 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.688 16.175 5.676 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.829 13.536 6.609 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.458 14.244 7.440 1.00 0.00 H new ATOM 1056 N LYS A 89 -7.620 15.195 4.639 1.00 0.00 N ATOM 1057 CA LYS A 89 -6.346 14.657 4.194 1.00 0.00 C ATOM 1058 C LYS A 89 -5.798 13.707 5.261 1.00 0.00 C ATOM 1059 O LYS A 89 -5.073 12.767 4.945 1.00 0.00 O ATOM 1060 CB LYS A 89 -5.387 15.789 3.825 1.00 0.00 C ATOM 1061 CG LYS A 89 -4.965 16.578 5.066 1.00 0.00 C ATOM 1062 CD LYS A 89 -3.822 17.542 4.743 1.00 0.00 C ATOM 1063 CE LYS A 89 -4.361 18.898 4.290 1.00 0.00 C ATOM 1064 NZ LYS A 89 -4.631 18.890 2.834 1.00 0.00 N ATOM 0 H LYS A 89 -7.700 16.210 4.574 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.476 14.072 3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.505 15.377 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.866 16.458 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -5.817 17.136 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.653 15.889 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -3.192 17.673 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.193 17.117 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.276 19.132 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.640 19.680 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.261 19.763 2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.166 18.068 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.657 18.833 2.671 1.00 0.00 H new ATOM 1078 N LEU A 90 -6.164 13.989 6.503 1.00 0.00 N ATOM 1079 CA LEU A 90 -5.718 13.172 7.619 1.00 0.00 C ATOM 1080 C LEU A 90 -6.515 11.866 7.640 1.00 0.00 C ATOM 1081 O LEU A 90 -5.985 10.817 7.998 1.00 0.00 O ATOM 1082 CB LEU A 90 -5.795 13.962 8.925 1.00 0.00 C ATOM 1083 CG LEU A 90 -4.476 14.141 9.680 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -4.301 15.588 10.144 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -4.370 13.151 10.842 1.00 0.00 C ATOM 0 H LEU A 90 -6.765 14.772 6.761 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.669 12.902 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.202 14.949 8.706 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.504 13.464 9.586 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.658 13.922 8.994 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.356 15.687 10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.300 16.250 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.122 15.859 10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.423 13.300 11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.194 13.315 11.536 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.417 12.132 10.457 1.00 0.00 H new ATOM 1097 N ALA A 91 -7.777 11.975 7.253 1.00 0.00 N ATOM 1098 CA ALA A 91 -8.654 10.816 7.224 1.00 0.00 C ATOM 1099 C ALA A 91 -8.266 9.918 6.048 1.00 0.00 C ATOM 1100 O ALA A 91 -8.067 8.716 6.220 1.00 0.00 O ATOM 1101 CB ALA A 91 -10.111 11.279 7.148 1.00 0.00 C ATOM 0 H ALA A 91 -8.214 12.848 6.957 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.546 10.230 8.137 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.768 10.410 7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.345 11.889 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.259 11.868 6.243 1.00 0.00 H new ATOM 1107 N VAL A 92 -8.171 10.536 4.880 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.810 9.807 3.676 1.00 0.00 C ATOM 1109 C VAL A 92 -6.437 9.158 3.869 1.00 0.00 C ATOM 1110 O VAL A 92 -6.179 8.077 3.344 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.866 10.739 2.464 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -9.181 11.521 2.435 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.664 11.684 2.444 1.00 0.00 C ATOM 0 H VAL A 92 -8.338 11.533 4.742 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.524 9.005 3.486 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.823 10.124 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.196 12.176 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.017 10.824 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.268 12.120 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.728 12.336 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.662 12.289 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.744 11.102 2.395 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.594 9.847 4.623 1.00 0.00 N ATOM 1124 CA VAL A 93 -4.255 9.353 4.892 1.00 0.00 C ATOM 1125 C VAL A 93 -4.336 8.178 5.868 1.00 0.00 C ATOM 1126 O VAL A 93 -3.678 7.158 5.673 1.00 0.00 O ATOM 1127 CB VAL A 93 -3.368 10.492 5.399 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -2.215 9.953 6.249 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.844 11.338 4.238 1.00 0.00 C ATOM 0 H VAL A 93 -5.813 10.744 5.056 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.794 8.984 3.976 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.979 11.135 6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.600 10.783 6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.617 9.415 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.606 9.277 5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.217 12.140 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.257 10.711 3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.684 11.767 3.692 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.149 8.362 6.899 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.324 7.330 7.906 1.00 0.00 C ATOM 1141 C ARG A 94 -5.940 6.077 7.281 1.00 0.00 C ATOM 1142 O ARG A 94 -5.727 4.967 7.767 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.223 7.819 9.045 1.00 0.00 C ATOM 1144 CG ARG A 94 -7.653 7.304 8.872 1.00 0.00 C ATOM 1145 CD ARG A 94 -7.801 5.893 9.444 1.00 0.00 C ATOM 1146 NE ARG A 94 -8.845 5.879 10.495 1.00 0.00 N ATOM 1147 CZ ARG A 94 -8.621 6.188 11.780 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -7.390 6.533 12.181 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -9.626 6.148 12.664 1.00 0.00 N ATOM 0 H ARG A 94 -5.693 9.210 7.058 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.341 7.092 8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.823 7.479 10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.225 8.909 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.349 7.978 9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.917 7.301 7.814 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.064 5.195 8.649 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -6.850 5.559 9.860 1.00 0.00 H new ATOM 0 HE ARG A 94 -9.793 5.618 10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -6.624 6.560 11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.219 6.768 13.159 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -10.563 5.882 12.360 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -9.455 6.383 13.642 1.00 0.00 H new ATOM 1163 N THR A 95 -6.692 6.296 6.213 1.00 0.00 N ATOM 1164 CA THR A 95 -7.341 5.199 5.516 1.00 0.00 C ATOM 1165 C THR A 95 -6.396 4.596 4.475 1.00 0.00 C ATOM 1166 O THR A 95 -6.517 3.424 4.125 1.00 0.00 O ATOM 1167 CB THR A 95 -8.648 5.724 4.919 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.497 5.909 6.049 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.373 4.671 4.077 1.00 0.00 C ATOM 0 H THR A 95 -6.867 7.218 5.813 1.00 0.00 H new ATOM 0 HA THR A 95 -7.584 4.385 6.199 1.00 0.00 H new ATOM 0 HB THR A 95 -8.439 6.600 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.367 6.250 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.294 5.096 3.677 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.731 4.358 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.612 3.809 4.699 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.477 5.427 4.005 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.511 4.991 3.010 1.00 0.00 C ATOM 1179 C TYR A 96 -3.388 4.176 3.655 1.00 0.00 C ATOM 1180 O TYR A 96 -2.871 3.239 3.050 1.00 0.00 O ATOM 1181 CB TYR A 96 -3.920 6.268 2.409 1.00 0.00 C ATOM 1182 CG TYR A 96 -2.693 6.028 1.527 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.851 5.682 0.201 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.425 6.160 2.059 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -1.695 5.457 -0.628 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.269 5.935 1.230 1.00 0.00 C ATOM 1187 CZ TYR A 96 -0.461 5.596 -0.072 1.00 0.00 C ATOM 1188 OH TYR A 96 0.630 5.383 -0.855 1.00 0.00 O ATOM 0 H TYR A 96 -5.381 6.400 4.295 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.989 4.359 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.687 6.769 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.647 6.946 3.218 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.842 5.580 -0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.301 6.432 3.097 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.805 5.184 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.728 6.033 1.634 1.00 0.00 H new ATOM 0 HH TYR A 96 1.427 5.741 -0.411 1.00 0.00 H new ATOM 1198 N ASN A 97 -3.045 4.565 4.874 1.00 0.00 N ATOM 1199 CA ASN A 97 -1.993 3.883 5.608 1.00 0.00 C ATOM 1200 C ASN A 97 -2.505 2.520 6.077 1.00 0.00 C ATOM 1201 O ASN A 97 -1.784 1.525 6.012 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.576 4.682 6.844 1.00 0.00 C ATOM 1203 CG ASN A 97 -1.448 6.172 6.518 1.00 0.00 C ATOM 1204 OD1 ASN A 97 -1.869 7.037 7.268 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -0.845 6.421 5.358 1.00 0.00 N ATOM 0 H ASN A 97 -3.477 5.344 5.372 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.136 3.773 4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.311 4.542 7.637 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.625 4.306 7.221 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.712 7.384 5.049 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.516 5.649 4.778 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.747 2.517 6.539 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.364 1.292 7.018 1.00 0.00 C ATOM 1214 C ASP A 98 -4.416 0.272 5.878 1.00 0.00 C ATOM 1215 O ASP A 98 -4.219 -0.923 6.099 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.796 1.546 7.492 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.379 0.459 8.398 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.672 0.078 9.356 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -7.520 0.034 8.112 1.00 0.00 O ATOM 0 H ASP A 98 -4.342 3.343 6.592 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.769 0.918 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.823 2.496 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.439 1.653 6.618 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.681 0.780 4.684 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.762 -0.070 3.509 1.00 0.00 C ATOM 1226 C PHE A 99 -3.393 -0.664 3.167 1.00 0.00 C ATOM 1227 O PHE A 99 -3.276 -1.866 2.933 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.227 0.812 2.348 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.067 0.163 0.972 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -6.056 -0.627 0.473 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -3.937 0.379 0.246 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -5.907 -1.228 -0.805 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -3.789 -0.223 -1.031 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.777 -1.013 -1.531 1.00 0.00 C ATOM 0 H PHE A 99 -4.843 1.771 4.505 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.451 -0.895 3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.276 1.069 2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.664 1.745 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.954 -0.797 1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.153 1.008 0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.691 -1.856 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.891 -0.054 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.664 -1.469 -2.503 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.395 0.207 3.148 1.00 0.00 N ATOM 1245 CA ILE A 100 -1.040 -0.216 2.838 1.00 0.00 C ATOM 1246 C ILE A 100 -0.493 -1.053 3.997 1.00 0.00 C ATOM 1247 O ILE A 100 0.213 -2.036 3.778 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.169 0.992 2.487 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.750 1.760 1.299 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.281 0.570 2.244 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.795 0.882 0.047 1.00 0.00 C ATOM 0 H ILE A 100 -2.497 1.203 3.342 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.033 -0.853 1.954 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.168 1.672 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.755 2.106 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.146 2.646 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.879 1.447 1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.679 0.102 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.320 -0.140 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.212 1.453 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.214 0.558 -0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.419 0.009 0.237 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.841 -0.632 5.204 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.395 -1.331 6.398 1.00 0.00 C ATOM 1265 C GLU A 101 -0.783 -2.808 6.323 1.00 0.00 C ATOM 1266 O GLU A 101 -0.067 -3.668 6.837 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.961 -0.676 7.660 1.00 0.00 C ATOM 1268 CG GLU A 101 -0.302 -1.248 8.916 1.00 0.00 C ATOM 1269 CD GLU A 101 -1.038 -0.791 10.178 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -0.652 0.275 10.704 1.00 0.00 O ATOM 1271 OE2 GLU A 101 -1.968 -1.519 10.586 1.00 0.00 O ATOM 0 H GLU A 101 -1.427 0.184 5.381 1.00 0.00 H new ATOM 0 HA GLU A 101 0.692 -1.264 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.800 0.401 7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.038 -0.836 7.705 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.300 -2.337 8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.739 -0.929 8.962 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.914 -3.059 5.682 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.406 -4.419 5.535 1.00 0.00 C ATOM 1280 C LYS A 102 -1.759 -5.060 4.305 1.00 0.00 C ATOM 1281 O LYS A 102 -1.687 -6.283 4.205 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.935 -4.435 5.504 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.491 -5.489 6.465 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.728 -4.894 7.854 1.00 0.00 C ATOM 1285 CE LYS A 102 -4.982 -5.994 8.887 1.00 0.00 C ATOM 1286 NZ LYS A 102 -6.058 -5.590 9.820 1.00 0.00 N ATOM 0 H LYS A 102 -2.505 -2.344 5.258 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.122 -5.023 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.318 -3.451 5.776 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.280 -4.643 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.426 -5.887 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.794 -6.324 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.862 -4.303 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.581 -4.216 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.259 -6.919 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.067 -6.197 9.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.218 -6.347 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.779 -4.719 10.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.934 -5.419 9.286 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.306 -4.204 3.400 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.668 -4.672 2.183 1.00 0.00 C ATOM 1302 C LEU A 103 0.835 -4.833 2.427 1.00 0.00 C ATOM 1303 O LEU A 103 1.536 -5.443 1.623 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.004 -3.746 1.012 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.120 -4.222 0.079 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.403 -4.511 0.861 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.351 -3.220 -1.055 1.00 0.00 C ATOM 0 H LEU A 103 -1.369 -3.190 3.486 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.053 -5.653 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.284 -2.772 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.101 -3.599 0.420 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.806 -5.160 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.180 -4.847 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.211 -5.288 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.734 -3.603 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.149 -3.582 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.634 -2.255 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.435 -3.109 -1.635 1.00 0.00 H new ATOM 1319 N THR A 104 1.282 -4.273 3.542 1.00 0.00 N ATOM 1320 CA THR A 104 2.688 -4.348 3.904 1.00 0.00 C ATOM 1321 C THR A 104 2.870 -5.187 5.170 1.00 0.00 C ATOM 1322 O THR A 104 3.713 -6.081 5.209 1.00 0.00 O ATOM 1323 CB THR A 104 3.216 -2.919 4.040 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.427 -2.355 5.085 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.892 -2.054 2.820 1.00 0.00 C ATOM 0 H THR A 104 0.696 -3.766 4.206 1.00 0.00 H new ATOM 0 HA THR A 104 3.269 -4.853 3.133 1.00 0.00 H new ATOM 0 HB THR A 104 4.295 -2.945 4.189 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.526 -2.166 4.749 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.290 -1.050 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.344 -2.495 1.931 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.811 -2.000 2.689 1.00 0.00 H new ATOM 1333 N GLY A 105 2.065 -4.869 6.172 1.00 0.00 N ATOM 1334 CA GLY A 105 2.126 -5.583 7.437 1.00 0.00 C ATOM 1335 C GLY A 105 3.256 -5.043 8.317 1.00 0.00 C ATOM 1336 O GLY A 105 3.500 -5.561 9.404 1.00 0.00 O ATOM 0 H GLY A 105 1.367 -4.127 6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.175 -5.486 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.281 -6.646 7.252 1.00 0.00 H new ATOM 1340 N TYR A 106 3.912 -4.008 7.813 1.00 0.00 N ATOM 1341 CA TYR A 106 5.010 -3.392 8.540 1.00 0.00 C ATOM 1342 C TYR A 106 4.564 -2.084 9.198 1.00 0.00 C ATOM 1343 O TYR A 106 4.021 -1.204 8.531 1.00 0.00 O ATOM 1344 CB TYR A 106 6.086 -3.084 7.497 1.00 0.00 C ATOM 1345 CG TYR A 106 7.161 -4.166 7.375 1.00 0.00 C ATOM 1346 CD1 TYR A 106 6.915 -5.302 6.629 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.375 -4.007 8.011 1.00 0.00 C ATOM 1348 CE1 TYR A 106 7.927 -6.320 6.513 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.388 -5.026 7.894 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.113 -6.132 7.152 1.00 0.00 C ATOM 1351 OH TYR A 106 10.068 -7.094 7.044 1.00 0.00 O ATOM 0 H TYR A 106 3.705 -3.580 6.910 1.00 0.00 H new ATOM 0 HA TYR A 106 5.370 -4.054 9.328 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.609 -2.949 6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.564 -2.138 7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.964 -5.427 6.133 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.566 -3.120 8.596 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.748 -7.213 5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.344 -4.914 8.384 1.00 0.00 H new ATOM 0 HH TYR A 106 10.862 -6.825 7.551 1.00 0.00 H new ATOM 1361 N SER A 107 4.813 -1.997 10.496 1.00 0.00 N ATOM 1362 CA SER A 107 4.445 -0.812 11.252 1.00 0.00 C ATOM 1363 C SER A 107 5.571 0.222 11.183 1.00 0.00 C ATOM 1364 O SER A 107 6.709 -0.114 10.857 1.00 0.00 O ATOM 1365 CB SER A 107 4.135 -1.161 12.708 1.00 0.00 C ATOM 1366 OG SER A 107 3.238 -0.226 13.302 1.00 0.00 O ATOM 0 H SER A 107 5.266 -2.729 11.044 1.00 0.00 H new ATOM 0 HA SER A 107 3.543 -0.390 10.808 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.702 -2.160 12.757 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.063 -1.187 13.280 1.00 0.00 H new ATOM 0 HG SER A 107 3.064 -0.485 14.231 1.00 0.00 H new ATOM 1372 N ALA A 108 5.214 1.460 11.493 1.00 0.00 N ATOM 1373 CA ALA A 108 6.181 2.545 11.471 1.00 0.00 C ATOM 1374 C ALA A 108 7.281 2.265 12.497 1.00 0.00 C ATOM 1375 O ALA A 108 8.392 2.778 12.376 1.00 0.00 O ATOM 1376 CB ALA A 108 5.464 3.872 11.731 1.00 0.00 C ATOM 0 H ALA A 108 4.269 1.736 11.761 1.00 0.00 H new ATOM 0 HA ALA A 108 6.655 2.616 10.492 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.188 4.686 11.715 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.714 4.038 10.958 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.978 3.838 12.706 1.00 0.00 H new ATOM 1382 N LYS A 109 6.932 1.452 13.484 1.00 0.00 N ATOM 1383 CA LYS A 109 7.875 1.097 14.530 1.00 0.00 C ATOM 1384 C LYS A 109 8.983 0.224 13.938 1.00 0.00 C ATOM 1385 O LYS A 109 10.164 0.465 14.178 1.00 0.00 O ATOM 1386 CB LYS A 109 7.148 0.451 15.711 1.00 0.00 C ATOM 1387 CG LYS A 109 6.695 1.508 16.721 1.00 0.00 C ATOM 1388 CD LYS A 109 5.191 1.402 16.986 1.00 0.00 C ATOM 1389 CE LYS A 109 4.826 2.051 18.323 1.00 0.00 C ATOM 1390 NZ LYS A 109 4.432 1.019 19.309 1.00 0.00 N ATOM 0 H LYS A 109 6.009 1.029 13.581 1.00 0.00 H new ATOM 0 HA LYS A 109 8.353 1.991 14.930 1.00 0.00 H new ATOM 0 HB2 LYS A 109 6.284 -0.106 15.350 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.807 -0.266 16.200 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.243 1.382 17.655 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.933 2.503 16.344 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.640 1.886 16.180 1.00 0.00 H new ATOM 0 HD3 LYS A 109 4.891 0.354 16.992 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.675 2.619 18.702 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.008 2.757 18.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.187 1.476 20.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.608 0.494 18.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.223 0.361 19.458 1.00 0.00 H new ATOM 1404 N GLU A 110 8.561 -0.773 13.173 1.00 0.00 N ATOM 1405 CA GLU A 110 9.503 -1.684 12.544 1.00 0.00 C ATOM 1406 C GLU A 110 10.077 -1.058 11.271 1.00 0.00 C ATOM 1407 O GLU A 110 11.224 -1.320 10.909 1.00 0.00 O ATOM 1408 CB GLU A 110 8.844 -3.031 12.243 1.00 0.00 C ATOM 1409 CG GLU A 110 7.676 -2.866 11.270 1.00 0.00 C ATOM 1410 CD GLU A 110 7.033 -4.218 10.952 1.00 0.00 C ATOM 1411 OE1 GLU A 110 7.691 -5.007 10.241 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.897 -4.431 11.427 1.00 0.00 O ATOM 0 H GLU A 110 7.580 -0.970 12.975 1.00 0.00 H new ATOM 0 HA GLU A 110 10.323 -1.865 13.239 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.581 -3.713 11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.489 -3.481 13.170 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.931 -2.197 11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.028 -2.401 10.349 1.00 0.00 H new ATOM 1419 N ARG A 111 9.254 -0.243 10.627 1.00 0.00 N ATOM 1420 CA ARG A 111 9.665 0.421 9.402 1.00 0.00 C ATOM 1421 C ARG A 111 11.008 1.125 9.606 1.00 0.00 C ATOM 1422 O ARG A 111 11.884 1.060 8.744 1.00 0.00 O ATOM 1423 CB ARG A 111 8.621 1.448 8.955 1.00 0.00 C ATOM 1424 CG ARG A 111 8.488 1.466 7.432 1.00 0.00 C ATOM 1425 CD ARG A 111 7.896 2.791 6.949 1.00 0.00 C ATOM 1426 NE ARG A 111 6.442 2.824 7.215 1.00 0.00 N ATOM 1427 CZ ARG A 111 5.655 3.880 6.967 1.00 0.00 C ATOM 1428 NH1 ARG A 111 6.180 4.998 6.449 1.00 0.00 N ATOM 1429 NH2 ARG A 111 4.345 3.818 7.241 1.00 0.00 N ATOM 0 H ARG A 111 8.304 -0.028 10.931 1.00 0.00 H new ATOM 0 HA ARG A 111 9.763 -0.340 8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.657 1.211 9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.904 2.439 9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.466 1.313 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.853 0.641 7.109 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.385 3.623 7.455 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.081 2.914 5.882 1.00 0.00 H new ATOM 0 HE ARG A 111 6.010 1.990 7.613 1.00 0.00 H new ATOM 0 HH11 ARG A 111 7.178 5.045 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 111 5.582 5.802 6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.947 2.967 7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.746 4.622 7.052 1.00 0.00 H new ATOM 1443 N LYS A 112 11.127 1.784 10.749 1.00 0.00 N ATOM 1444 CA LYS A 112 12.348 2.499 11.077 1.00 0.00 C ATOM 1445 C LYS A 112 13.432 1.494 11.473 1.00 0.00 C ATOM 1446 O LYS A 112 14.614 1.718 11.216 1.00 0.00 O ATOM 1447 CB LYS A 112 12.077 3.563 12.142 1.00 0.00 C ATOM 1448 CG LYS A 112 13.279 4.496 12.305 1.00 0.00 C ATOM 1449 CD LYS A 112 12.836 5.960 12.338 1.00 0.00 C ATOM 1450 CE LYS A 112 14.040 6.895 12.472 1.00 0.00 C ATOM 1451 NZ LYS A 112 14.115 7.813 11.314 1.00 0.00 N ATOM 0 H LYS A 112 10.397 1.838 11.460 1.00 0.00 H new ATOM 0 HA LYS A 112 12.718 3.040 10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.197 4.143 11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.855 3.081 13.094 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.811 4.252 13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.978 4.342 11.483 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.286 6.198 11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.154 6.118 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.960 7.470 13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.957 6.309 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.938 8.440 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.213 7.260 10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.247 8.385 11.267 1.00 0.00 H new ATOM 1465 N LYS A 113 12.991 0.409 12.092 1.00 0.00 N ATOM 1466 CA LYS A 113 13.909 -0.630 12.525 1.00 0.00 C ATOM 1467 C LYS A 113 14.734 -1.108 11.328 1.00 0.00 C ATOM 1468 O LYS A 113 15.953 -1.244 11.425 1.00 0.00 O ATOM 1469 CB LYS A 113 13.151 -1.752 13.237 1.00 0.00 C ATOM 1470 CG LYS A 113 12.774 -1.340 14.662 1.00 0.00 C ATOM 1471 CD LYS A 113 12.931 -2.513 15.631 1.00 0.00 C ATOM 1472 CE LYS A 113 13.851 -2.142 16.796 1.00 0.00 C ATOM 1473 NZ LYS A 113 13.121 -1.329 17.794 1.00 0.00 N ATOM 0 H LYS A 113 12.010 0.227 12.304 1.00 0.00 H new ATOM 0 HA LYS A 113 14.612 -0.235 13.259 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.250 -2.000 12.676 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.767 -2.651 13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.404 -0.511 14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.744 -0.983 14.681 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.954 -2.806 16.014 1.00 0.00 H new ATOM 0 HD3 LYS A 113 13.338 -3.375 15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 113 14.235 -3.047 17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 113 14.712 -1.586 16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 13.760 -1.086 18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.776 -0.457 17.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.314 -1.872 18.161 1.00 0.00 H new ATOM 1487 N MET A 114 14.036 -1.352 10.230 1.00 0.00 N ATOM 1488 CA MET A 114 14.687 -1.813 9.016 1.00 0.00 C ATOM 1489 C MET A 114 15.517 -0.694 8.380 1.00 0.00 C ATOM 1490 O MET A 114 16.210 -0.916 7.388 1.00 0.00 O ATOM 1491 CB MET A 114 13.630 -2.294 8.019 1.00 0.00 C ATOM 1492 CG MET A 114 12.772 -1.129 7.524 1.00 0.00 C ATOM 1493 SD MET A 114 12.356 -1.365 5.805 1.00 0.00 S ATOM 1494 CE MET A 114 13.838 -0.732 5.037 1.00 0.00 C ATOM 0 H MET A 114 13.025 -1.239 10.155 1.00 0.00 H new ATOM 0 HA MET A 114 15.355 -2.634 9.275 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.117 -2.777 7.172 1.00 0.00 H new ATOM 0 HB3 MET A 114 12.994 -3.043 8.491 1.00 0.00 H new ATOM 0 HG2 MET A 114 11.862 -1.057 8.120 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.311 -0.190 7.651 1.00 0.00 H new ATOM 0 HE1 MET A 114 13.732 -0.772 3.953 1.00 0.00 H new ATOM 0 HE2 MET A 114 13.996 0.301 5.348 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.692 -1.337 5.341 1.00 0.00 H new ATOM 1504 N MET A 115 15.417 0.485 8.976 1.00 0.00 N ATOM 1505 CA MET A 115 16.149 1.638 8.481 1.00 0.00 C ATOM 1506 C MET A 115 17.341 1.961 9.385 1.00 0.00 C ATOM 1507 O MET A 115 18.439 2.222 8.898 1.00 0.00 O ATOM 1508 CB MET A 115 15.214 2.847 8.419 1.00 0.00 C ATOM 1509 CG MET A 115 14.637 3.023 7.012 1.00 0.00 C ATOM 1510 SD MET A 115 14.361 4.755 6.676 1.00 0.00 S ATOM 1511 CE MET A 115 13.107 4.629 5.412 1.00 0.00 C ATOM 0 H MET A 115 14.840 0.667 9.797 1.00 0.00 H new ATOM 0 HA MET A 115 16.525 1.406 7.485 1.00 0.00 H new ATOM 0 HB2 MET A 115 14.402 2.721 9.136 1.00 0.00 H new ATOM 0 HB3 MET A 115 15.757 3.747 8.708 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.323 2.606 6.274 1.00 0.00 H new ATOM 0 HG3 MET A 115 13.700 2.473 6.923 1.00 0.00 H new ATOM 0 HE1 MET A 115 12.817 5.628 5.086 1.00 0.00 H new ATOM 0 HE2 MET A 115 13.501 4.070 4.563 1.00 0.00 H new ATOM 0 HE3 MET A 115 12.236 4.112 5.814 1.00 0.00 H new ATOM 1521 N THR A 116 17.082 1.932 10.684 1.00 0.00 N ATOM 1522 CA THR A 116 18.120 2.218 11.660 1.00 0.00 C ATOM 1523 C THR A 116 18.615 0.923 12.308 1.00 0.00 C ATOM 1524 O THR A 116 18.334 0.662 13.475 1.00 0.00 O ATOM 1525 CB THR A 116 17.559 3.225 12.665 1.00 0.00 C ATOM 1526 OG1 THR A 116 18.647 3.473 13.552 1.00 0.00 O ATOM 1527 CG2 THR A 116 16.480 2.615 13.563 1.00 0.00 C ATOM 0 H THR A 116 16.169 1.715 11.083 1.00 0.00 H new ATOM 0 HA THR A 116 18.996 2.663 11.187 1.00 0.00 H new ATOM 0 HB THR A 116 17.147 4.081 12.130 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.371 4.118 14.236 1.00 0.00 H new ATOM 0 HG21 THR A 116 16.115 3.371 14.258 1.00 0.00 H new ATOM 0 HG22 THR A 116 15.654 2.258 12.948 1.00 0.00 H new ATOM 0 HG23 THR A 116 16.902 1.781 14.123 1.00 0.00 H new ATOM 1535 N LYS A 117 19.344 0.146 11.519 1.00 0.00 N ATOM 1536 CA LYS A 117 19.881 -1.116 12.001 1.00 0.00 C ATOM 1537 C LYS A 117 21.011 -0.838 12.995 1.00 0.00 C ATOM 1538 O LYS A 117 21.411 0.311 13.181 1.00 0.00 O ATOM 1539 CB LYS A 117 20.299 -2.003 10.826 1.00 0.00 C ATOM 1540 CG LYS A 117 20.037 -3.479 11.134 1.00 0.00 C ATOM 1541 CD LYS A 117 20.003 -4.309 9.849 1.00 0.00 C ATOM 1542 CE LYS A 117 18.607 -4.297 9.226 1.00 0.00 C ATOM 1543 NZ LYS A 117 18.319 -5.594 8.573 1.00 0.00 N ATOM 0 H LYS A 117 19.575 0.366 10.550 1.00 0.00 H new ATOM 0 HA LYS A 117 19.115 -1.677 12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.749 -1.711 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.357 -1.855 10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 117 20.814 -3.860 11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 117 19.089 -3.581 11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.726 -3.913 9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 117 20.299 -5.335 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 117 17.861 -4.097 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 117 18.535 -3.491 8.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 17.367 -5.568 8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 19.021 -5.770 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 18.367 -6.356 9.279 1.00 0.00 H new ATOM 1557 N ASP A 118 21.492 -1.909 13.608 1.00 0.00 N ATOM 1558 CA ASP A 118 22.567 -1.796 14.579 1.00 0.00 C ATOM 1559 C ASP A 118 23.055 -3.193 14.960 1.00 0.00 C ATOM 1560 O ASP A 118 23.967 -3.337 15.773 1.00 0.00 O ATOM 1561 CB ASP A 118 22.087 -1.098 15.853 1.00 0.00 C ATOM 1562 CG ASP A 118 22.572 0.343 16.024 1.00 0.00 C ATOM 1563 OD1 ASP A 118 23.762 0.580 15.726 1.00 0.00 O ATOM 1564 OD2 ASP A 118 21.741 1.175 16.449 1.00 0.00 O ATOM 1565 OXT ASP A 118 22.455 -4.316 14.375 1.00 0.00 O ATOM 0 H ASP A 118 21.157 -2.860 13.451 1.00 0.00 H new ATOM 0 HA ASP A 118 23.368 -1.211 14.127 1.00 0.00 H new ATOM 0 HB2 ASP A 118 20.997 -1.102 15.863 1.00 0.00 H new ATOM 0 HB3 ASP A 118 22.415 -1.680 16.714 1.00 0.00 H new TER 1570 ASP A 118