USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 440 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= -0.0736 (180deg=-0.123) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.341 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.81 K(o=-1.8,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= -0.035 (180deg=-0.267) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.9 K(o=-3.9,f=-12!) USER MOD Single : A 52 TYR OH : rot -14:sc= 0.895 USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 6.226 -0.472 -0.321 1.00 0.00 N ATOM 34 CA ALA A 3 5.090 -1.339 -0.618 1.00 0.00 C ATOM 35 C ALA A 3 5.290 -2.218 -1.843 1.00 0.00 C ATOM 36 O ALA A 3 6.319 -2.228 -2.501 1.00 0.00 O ATOM 37 CB ALA A 3 3.839 -0.477 -0.642 1.00 0.00 C ATOM 0 HA ALA A 3 4.980 -2.084 0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.972 -1.100 -0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.706 -0.001 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.940 0.289 -1.411 1.00 0.00 H new ATOM 43 N ILE A 4 4.158 -2.857 -2.130 1.00 0.00 N ATOM 44 CA ILE A 4 4.032 -3.763 -3.229 1.00 0.00 C ATOM 45 C ILE A 4 2.534 -3.725 -3.445 1.00 0.00 C ATOM 46 O ILE A 4 1.823 -3.034 -2.744 1.00 0.00 O ATOM 47 CB ILE A 4 4.651 -5.144 -2.828 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.186 -4.987 -2.692 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.343 -6.322 -3.780 1.00 0.00 C ATOM 50 CD1 ILE A 4 7.055 -6.214 -2.986 1.00 0.00 C ATOM 0 H ILE A 4 3.301 -2.747 -1.588 1.00 0.00 H new ATOM 0 HA ILE A 4 4.562 -3.529 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 4 4.174 -5.410 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.502 -4.185 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.401 -4.659 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.821 -7.227 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.265 -6.476 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.725 -6.095 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.106 -5.957 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.788 -7.021 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.890 -6.539 -4.013 1.00 0.00 H new ATOM 62 N ALA A 5 2.121 -4.532 -4.388 1.00 0.00 N ATOM 63 CA ALA A 5 0.702 -4.672 -4.692 1.00 0.00 C ATOM 64 C ALA A 5 0.674 -5.941 -5.558 1.00 0.00 C ATOM 65 O ALA A 5 1.125 -5.994 -6.690 1.00 0.00 O ATOM 66 CB ALA A 5 0.192 -3.520 -5.549 1.00 0.00 C ATOM 0 H ALA A 5 2.738 -5.105 -4.963 1.00 0.00 H new ATOM 0 HA ALA A 5 0.092 -4.698 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.869 -3.661 -5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.337 -2.579 -5.018 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.743 -3.494 -6.489 1.00 0.00 H new ATOM 72 N LYS A 6 0.121 -6.966 -4.895 1.00 0.00 N ATOM 73 CA LYS A 6 0.045 -8.326 -5.424 1.00 0.00 C ATOM 74 C LYS A 6 -1.209 -8.675 -6.241 1.00 0.00 C ATOM 75 O LYS A 6 -1.227 -9.703 -6.903 1.00 0.00 O ATOM 76 CB LYS A 6 0.036 -9.219 -4.186 1.00 0.00 C ATOM 77 CG LYS A 6 1.275 -9.036 -3.309 1.00 0.00 C ATOM 78 CD LYS A 6 1.959 -10.365 -2.958 1.00 0.00 C ATOM 79 CE LYS A 6 1.511 -10.874 -1.596 1.00 0.00 C ATOM 80 NZ LYS A 6 0.069 -11.021 -1.518 1.00 0.00 N ATOM 0 H LYS A 6 -0.289 -6.868 -3.966 1.00 0.00 H new ATOM 0 HA LYS A 6 0.877 -8.454 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.855 -9.004 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.032 -10.261 -4.497 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.987 -8.392 -3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.991 -8.525 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.727 -11.108 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.041 -10.232 -2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.985 -11.835 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.847 -10.184 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.182 -11.525 -0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.376 -10.081 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.270 -11.562 -2.339 1.00 0.00 H new ATOM 94 N TYR A 7 -2.253 -7.833 -6.139 1.00 0.00 N ATOM 95 CA TYR A 7 -3.482 -8.109 -6.919 1.00 0.00 C ATOM 96 C TYR A 7 -4.052 -6.765 -7.411 1.00 0.00 C ATOM 97 O TYR A 7 -3.647 -5.703 -6.954 1.00 0.00 O ATOM 98 CB TYR A 7 -4.551 -8.850 -6.069 1.00 0.00 C ATOM 99 CG TYR A 7 -4.086 -10.161 -5.455 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.245 -10.181 -4.354 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.458 -11.390 -5.980 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.739 -11.371 -3.834 1.00 0.00 C ATOM 103 CE2 TYR A 7 -4.002 -12.591 -5.458 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.114 -12.595 -4.382 1.00 0.00 C ATOM 105 OH TYR A 7 -2.624 -13.772 -3.830 1.00 0.00 O ATOM 0 H TYR A 7 -2.279 -6.996 -5.557 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.228 -8.756 -7.758 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.880 -8.188 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.420 -9.048 -6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.974 -9.247 -3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.128 -11.412 -6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.052 -11.344 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.335 -13.525 -5.885 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.980 -14.539 -4.325 1.00 0.00 H new ATOM 115 N ASP A 8 -4.982 -6.853 -8.398 1.00 0.00 N ATOM 116 CA ASP A 8 -5.572 -5.592 -8.881 1.00 0.00 C ATOM 117 C ASP A 8 -6.506 -5.039 -7.784 1.00 0.00 C ATOM 118 O ASP A 8 -6.977 -5.783 -6.939 1.00 0.00 O ATOM 119 CB ASP A 8 -6.331 -5.793 -10.206 1.00 0.00 C ATOM 120 CG ASP A 8 -6.983 -4.486 -10.698 1.00 0.00 C ATOM 121 OD1 ASP A 8 -6.251 -3.568 -11.066 1.00 0.00 O ATOM 122 OD2 ASP A 8 -8.210 -4.395 -10.688 1.00 0.00 O ATOM 0 H ASP A 8 -5.314 -7.710 -8.840 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.776 -4.876 -9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.643 -6.164 -10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.099 -6.554 -10.072 1.00 0.00 H new ATOM 127 N PHE A 9 -6.665 -3.699 -7.792 1.00 0.00 N ATOM 128 CA PHE A 9 -7.612 -3.033 -6.888 1.00 0.00 C ATOM 129 C PHE A 9 -8.248 -1.868 -7.671 1.00 0.00 C ATOM 130 O PHE A 9 -7.640 -1.234 -8.519 1.00 0.00 O ATOM 131 CB PHE A 9 -6.981 -2.611 -5.545 1.00 0.00 C ATOM 132 CG PHE A 9 -7.992 -2.393 -4.431 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.632 -3.511 -3.925 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.387 -1.146 -3.929 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.644 -3.414 -2.995 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.440 -1.037 -3.011 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.083 -2.187 -2.557 1.00 0.00 C ATOM 0 H PHE A 9 -6.154 -3.067 -8.409 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.390 -3.732 -6.581 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.270 -3.376 -5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.415 -1.691 -5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.329 -4.489 -4.269 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.872 -0.255 -4.255 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.098 -4.313 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.752 -0.066 -2.657 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.914 -2.115 -1.871 1.00 0.00 H new ATOM 147 N LYS A 10 -9.543 -1.700 -7.379 1.00 0.00 N ATOM 148 CA LYS A 10 -10.393 -0.667 -7.948 1.00 0.00 C ATOM 149 C LYS A 10 -11.215 -0.035 -6.803 1.00 0.00 C ATOM 150 O LYS A 10 -12.209 -0.616 -6.390 1.00 0.00 O ATOM 151 CB LYS A 10 -11.261 -1.303 -9.042 1.00 0.00 C ATOM 152 CG LYS A 10 -12.372 -0.390 -9.563 1.00 0.00 C ATOM 153 CD LYS A 10 -11.849 0.722 -10.483 1.00 0.00 C ATOM 154 CE LYS A 10 -12.844 1.878 -10.634 1.00 0.00 C ATOM 155 NZ LYS A 10 -12.474 2.834 -11.675 1.00 0.00 N ATOM 0 H LYS A 10 -10.036 -2.302 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.820 0.133 -8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.622 -1.593 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.709 -2.217 -8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.103 -0.989 -10.105 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.892 0.060 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.909 1.106 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.632 0.303 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.830 1.471 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.926 2.403 -9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.188 3.588 -11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.547 3.249 -11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.423 2.346 -12.592 1.00 0.00 H new ATOM 169 N ALA A 11 -10.814 1.191 -6.367 1.00 0.00 N ATOM 170 CA ALA A 11 -11.499 1.885 -5.251 1.00 0.00 C ATOM 171 C ALA A 11 -13.039 1.875 -5.350 1.00 0.00 C ATOM 172 O ALA A 11 -13.640 1.671 -6.403 1.00 0.00 O ATOM 173 CB ALA A 11 -11.058 3.348 -5.121 1.00 0.00 C ATOM 0 H ALA A 11 -10.032 1.709 -6.767 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.202 1.311 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.587 3.815 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.984 3.389 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.289 3.881 -6.043 1.00 0.00 H new ATOM 179 N THR A 12 -13.589 2.085 -4.134 1.00 0.00 N ATOM 180 CA THR A 12 -15.027 2.121 -3.914 1.00 0.00 C ATOM 181 C THR A 12 -15.512 3.483 -3.361 1.00 0.00 C ATOM 182 O THR A 12 -16.700 3.778 -3.416 1.00 0.00 O ATOM 183 CB THR A 12 -15.443 1.017 -2.914 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.950 1.375 -1.569 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.669 -0.297 -3.119 1.00 0.00 C ATOM 0 H THR A 12 -13.039 2.233 -3.288 1.00 0.00 H new ATOM 0 HA THR A 12 -15.490 1.960 -4.887 1.00 0.00 H new ATOM 0 HB THR A 12 -16.521 0.917 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 12 -15.211 0.680 -0.929 1.00 0.00 H new ATOM 0 HG21 THR A 12 -15.004 -1.034 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.852 -0.674 -4.125 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.602 -0.115 -2.988 1.00 0.00 H new ATOM 193 N ALA A 13 -14.557 4.313 -2.861 1.00 0.00 N ATOM 194 CA ALA A 13 -14.986 5.589 -2.256 1.00 0.00 C ATOM 195 C ALA A 13 -13.928 6.673 -2.325 1.00 0.00 C ATOM 196 O ALA A 13 -12.760 6.453 -2.602 1.00 0.00 O ATOM 197 CB ALA A 13 -15.271 5.338 -0.768 1.00 0.00 C ATOM 0 H ALA A 13 -13.553 4.135 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.858 5.929 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.590 6.268 -0.297 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.059 4.592 -0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.366 4.976 -0.280 1.00 0.00 H new ATOM 203 N ASP A 14 -14.456 7.853 -1.958 1.00 0.00 N ATOM 204 CA ASP A 14 -13.707 9.095 -1.922 1.00 0.00 C ATOM 205 C ASP A 14 -12.362 9.010 -1.146 1.00 0.00 C ATOM 206 O ASP A 14 -11.382 9.625 -1.545 1.00 0.00 O ATOM 207 CB ASP A 14 -14.654 10.117 -1.286 1.00 0.00 C ATOM 208 CG ASP A 14 -14.083 11.540 -1.445 1.00 0.00 C ATOM 209 OD1 ASP A 14 -14.286 12.140 -2.502 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.432 12.026 -0.520 1.00 0.00 O ATOM 0 H ASP A 14 -15.430 7.959 -1.676 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.401 9.371 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.636 10.056 -1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.792 9.888 -0.229 1.00 0.00 H new ATOM 215 N ASP A 15 -12.351 8.193 -0.065 1.00 0.00 N ATOM 216 CA ASP A 15 -11.140 8.108 0.767 1.00 0.00 C ATOM 217 C ASP A 15 -10.146 6.993 0.383 1.00 0.00 C ATOM 218 O ASP A 15 -9.043 6.932 0.912 1.00 0.00 O ATOM 219 CB ASP A 15 -11.624 7.857 2.198 1.00 0.00 C ATOM 220 CG ASP A 15 -12.345 6.500 2.361 1.00 0.00 C ATOM 221 OD1 ASP A 15 -13.551 6.440 2.127 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.691 5.524 2.720 1.00 0.00 O ATOM 0 H ASP A 15 -13.132 7.610 0.237 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.586 9.037 0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.771 7.893 2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.300 8.659 2.493 1.00 0.00 H new ATOM 227 N GLU A 16 -10.572 6.181 -0.597 1.00 0.00 N ATOM 228 CA GLU A 16 -9.772 5.056 -1.090 1.00 0.00 C ATOM 229 C GLU A 16 -9.260 5.388 -2.493 1.00 0.00 C ATOM 230 O GLU A 16 -9.851 6.160 -3.233 1.00 0.00 O ATOM 231 CB GLU A 16 -10.660 3.801 -1.268 1.00 0.00 C ATOM 232 CG GLU A 16 -10.924 3.063 0.045 1.00 0.00 C ATOM 233 CD GLU A 16 -11.986 1.954 -0.129 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.830 1.115 -1.019 1.00 0.00 O ATOM 235 OE2 GLU A 16 -12.959 1.949 0.625 1.00 0.00 O ATOM 0 H GLU A 16 -11.472 6.286 -1.064 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.967 4.878 -0.377 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.612 4.096 -1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.180 3.120 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.995 2.624 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.259 3.773 0.801 1.00 0.00 H new ATOM 242 N LEU A 17 -8.153 4.695 -2.820 1.00 0.00 N ATOM 243 CA LEU A 17 -7.542 4.852 -4.163 1.00 0.00 C ATOM 244 C LEU A 17 -7.109 3.502 -4.732 1.00 0.00 C ATOM 245 O LEU A 17 -6.870 2.537 -4.021 1.00 0.00 O ATOM 246 CB LEU A 17 -6.490 5.968 -4.251 1.00 0.00 C ATOM 247 CG LEU A 17 -5.138 5.754 -3.557 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.225 4.787 -4.306 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.413 7.093 -3.542 1.00 0.00 C ATOM 0 H LEU A 17 -7.673 4.042 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.322 5.221 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.295 6.158 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.934 6.875 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.343 5.345 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.286 4.679 -3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.712 3.815 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.025 5.175 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.445 6.977 -3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.265 7.438 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.009 7.824 -2.996 1.00 0.00 H new ATOM 261 N SER A 18 -7.044 3.521 -6.077 1.00 0.00 N ATOM 262 CA SER A 18 -6.687 2.352 -6.868 1.00 0.00 C ATOM 263 C SER A 18 -5.178 2.108 -7.045 1.00 0.00 C ATOM 264 O SER A 18 -4.318 2.917 -6.721 1.00 0.00 O ATOM 265 CB SER A 18 -7.308 2.583 -8.259 1.00 0.00 C ATOM 266 OG SER A 18 -8.800 2.574 -8.188 1.00 0.00 O ATOM 0 H SER A 18 -7.239 4.352 -6.635 1.00 0.00 H new ATOM 0 HA SER A 18 -7.055 1.471 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.965 3.537 -8.660 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.968 1.808 -8.946 1.00 0.00 H new ATOM 0 HG SER A 18 -9.171 2.724 -9.083 1.00 0.00 H new ATOM 272 N PHE A 19 -4.981 0.896 -7.611 1.00 0.00 N ATOM 273 CA PHE A 19 -3.692 0.336 -8.035 1.00 0.00 C ATOM 274 C PHE A 19 -3.983 -0.834 -8.971 1.00 0.00 C ATOM 275 O PHE A 19 -5.126 -1.168 -9.251 1.00 0.00 O ATOM 276 CB PHE A 19 -2.734 -0.087 -6.903 1.00 0.00 C ATOM 277 CG PHE A 19 -3.348 -0.884 -5.772 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.092 -0.258 -4.788 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.189 -2.259 -5.674 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.677 -0.973 -3.762 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.739 -2.976 -4.624 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.491 -2.335 -3.670 1.00 0.00 C ATOM 0 H PHE A 19 -5.756 0.258 -7.790 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.148 1.138 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.927 -0.676 -7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.282 0.811 -6.483 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.218 0.814 -4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.625 -2.781 -6.432 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.283 -0.462 -3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.576 -4.041 -4.555 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.932 -2.892 -2.857 1.00 0.00 H new ATOM 292 N LYS A 20 -2.869 -1.367 -9.499 1.00 0.00 N ATOM 293 CA LYS A 20 -2.930 -2.471 -10.436 1.00 0.00 C ATOM 294 C LYS A 20 -1.844 -3.445 -10.021 1.00 0.00 C ATOM 295 O LYS A 20 -0.765 -3.032 -9.623 1.00 0.00 O ATOM 296 CB LYS A 20 -2.689 -1.928 -11.857 1.00 0.00 C ATOM 297 CG LYS A 20 -3.832 -0.998 -12.316 1.00 0.00 C ATOM 298 CD LYS A 20 -3.400 0.372 -12.858 1.00 0.00 C ATOM 299 CE LYS A 20 -2.563 1.220 -11.888 1.00 0.00 C ATOM 300 NZ LYS A 20 -2.022 2.407 -12.544 1.00 0.00 N ATOM 0 H LYS A 20 -1.925 -1.044 -9.286 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.899 -2.971 -10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.745 -1.384 -11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.596 -2.761 -12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.404 -1.510 -13.090 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.506 -0.839 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.826 0.220 -13.772 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.292 0.935 -13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.180 1.521 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.746 0.619 -11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.463 2.957 -11.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.414 2.119 -13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.804 2.992 -12.902 1.00 0.00 H new ATOM 314 N ARG A 21 -2.194 -4.738 -10.179 1.00 0.00 N ATOM 315 CA ARG A 21 -1.287 -5.828 -9.811 1.00 0.00 C ATOM 316 C ARG A 21 0.179 -5.583 -10.279 1.00 0.00 C ATOM 317 O ARG A 21 0.547 -5.847 -11.419 1.00 0.00 O ATOM 318 CB ARG A 21 -1.847 -7.110 -10.441 1.00 0.00 C ATOM 319 CG ARG A 21 -1.141 -8.368 -9.916 1.00 0.00 C ATOM 320 CD ARG A 21 -0.147 -8.954 -10.930 1.00 0.00 C ATOM 321 NE ARG A 21 -0.794 -9.992 -11.722 1.00 0.00 N ATOM 322 CZ ARG A 21 -0.175 -10.626 -12.739 1.00 0.00 C ATOM 323 NH1 ARG A 21 1.126 -10.477 -12.966 1.00 0.00 N ATOM 324 NH2 ARG A 21 -0.891 -11.420 -13.520 1.00 0.00 N ATOM 0 H ARG A 21 -3.091 -5.044 -10.556 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.238 -5.902 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.914 -7.180 -10.232 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.737 -7.059 -11.524 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.613 -8.126 -8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.888 -9.122 -9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.225 -8.165 -11.584 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.715 -9.368 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.755 -10.250 -11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.683 -9.871 -12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.568 -10.969 -13.743 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.889 -11.542 -13.346 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.445 -11.910 -14.295 1.00 0.00 H new ATOM 338 N GLY A 22 0.978 -5.087 -9.307 1.00 0.00 N ATOM 339 CA GLY A 22 2.384 -4.779 -9.513 1.00 0.00 C ATOM 340 C GLY A 22 2.876 -3.488 -8.826 1.00 0.00 C ATOM 341 O GLY A 22 4.065 -3.376 -8.557 1.00 0.00 O ATOM 0 H GLY A 22 0.651 -4.894 -8.360 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.981 -5.616 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.569 -4.696 -10.584 1.00 0.00 H new ATOM 345 N ASP A 23 1.952 -2.532 -8.528 1.00 0.00 N ATOM 346 CA ASP A 23 2.386 -1.259 -7.944 1.00 0.00 C ATOM 347 C ASP A 23 3.297 -1.357 -6.708 1.00 0.00 C ATOM 348 O ASP A 23 3.206 -2.252 -5.881 1.00 0.00 O ATOM 349 CB ASP A 23 1.198 -0.319 -7.637 1.00 0.00 C ATOM 350 CG ASP A 23 0.544 0.292 -8.893 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.051 0.118 -10.000 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.481 0.952 -8.743 1.00 0.00 O ATOM 0 H ASP A 23 0.947 -2.623 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 23 3.005 -0.835 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.443 -0.874 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.543 0.488 -6.990 1.00 0.00 H new ATOM 357 N ILE A 24 4.197 -0.356 -6.676 1.00 0.00 N ATOM 358 CA ILE A 24 5.117 -0.089 -5.580 1.00 0.00 C ATOM 359 C ILE A 24 4.472 1.129 -4.905 1.00 0.00 C ATOM 360 O ILE A 24 4.455 2.193 -5.513 1.00 0.00 O ATOM 361 CB ILE A 24 6.536 0.155 -6.132 1.00 0.00 C ATOM 362 CG1 ILE A 24 7.081 -1.127 -6.790 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.514 0.648 -5.063 1.00 0.00 C ATOM 364 CD1 ILE A 24 7.016 -1.078 -8.317 1.00 0.00 C ATOM 0 H ILE A 24 4.298 0.306 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 24 5.257 -0.903 -4.869 1.00 0.00 H new ATOM 0 HB ILE A 24 6.450 0.946 -6.877 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.114 -1.279 -6.479 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.511 -1.985 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.496 0.802 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.154 1.589 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.590 -0.095 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.413 -2.006 -8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.980 -0.954 -8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.609 -0.238 -8.680 1.00 0.00 H new ATOM 376 N LEU A 25 3.963 0.966 -3.657 1.00 0.00 N ATOM 377 CA LEU A 25 3.269 2.145 -3.073 1.00 0.00 C ATOM 378 C LEU A 25 4.103 2.858 -1.996 1.00 0.00 C ATOM 379 O LEU A 25 5.125 2.375 -1.547 1.00 0.00 O ATOM 380 CB LEU A 25 1.935 1.701 -2.436 1.00 0.00 C ATOM 381 CG LEU A 25 0.878 1.278 -3.464 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.074 -0.171 -3.926 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.541 1.488 -2.910 1.00 0.00 C ATOM 0 H LEU A 25 4.008 0.123 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 25 3.105 2.845 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.124 0.869 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.539 2.519 -1.834 1.00 0.00 H new ATOM 0 HG LEU A 25 1.005 1.917 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.304 -0.428 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.057 -0.277 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.001 -0.839 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.273 1.181 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.671 0.891 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.686 2.542 -2.672 1.00 0.00 H new ATOM 395 N LYS A 26 3.636 4.066 -1.626 1.00 0.00 N ATOM 396 CA LYS A 26 4.325 4.792 -0.559 1.00 0.00 C ATOM 397 C LYS A 26 3.450 4.667 0.678 1.00 0.00 C ATOM 398 O LYS A 26 2.413 5.296 0.719 1.00 0.00 O ATOM 399 CB LYS A 26 4.645 6.246 -0.948 1.00 0.00 C ATOM 400 CG LYS A 26 6.158 6.512 -1.036 1.00 0.00 C ATOM 401 CD LYS A 26 6.826 6.504 0.340 1.00 0.00 C ATOM 402 CE LYS A 26 8.332 6.180 0.280 1.00 0.00 C ATOM 403 NZ LYS A 26 9.178 7.353 0.476 1.00 0.00 N ATOM 0 H LYS A 26 2.826 4.535 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 26 5.307 4.363 -0.362 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.183 6.472 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.203 6.921 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.622 5.755 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.329 7.476 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.689 7.478 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.328 5.771 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.568 5.437 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.563 5.730 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.178 7.072 0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.977 8.054 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.983 7.770 1.408 1.00 0.00 H new ATOM 417 N VAL A 27 3.875 3.884 1.702 1.00 0.00 N ATOM 418 CA VAL A 27 2.937 3.773 2.825 1.00 0.00 C ATOM 419 C VAL A 27 3.217 4.928 3.786 1.00 0.00 C ATOM 420 O VAL A 27 4.058 4.854 4.676 1.00 0.00 O ATOM 421 CB VAL A 27 3.122 2.419 3.548 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.264 2.333 4.823 1.00 0.00 C ATOM 423 CG2 VAL A 27 2.778 1.242 2.618 1.00 0.00 C ATOM 0 H VAL A 27 4.757 3.377 1.770 1.00 0.00 H new ATOM 0 HA VAL A 27 1.910 3.821 2.464 1.00 0.00 H new ATOM 0 HB VAL A 27 4.172 2.355 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.421 1.367 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.551 3.130 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.211 2.441 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.917 0.303 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.740 1.325 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.432 1.264 1.747 1.00 0.00 H new ATOM 433 N LEU A 28 2.386 5.961 3.584 1.00 0.00 N ATOM 434 CA LEU A 28 2.477 7.149 4.404 1.00 0.00 C ATOM 435 C LEU A 28 1.497 6.981 5.567 1.00 0.00 C ATOM 436 O LEU A 28 0.311 7.273 5.455 1.00 0.00 O ATOM 437 CB LEU A 28 2.116 8.333 3.502 1.00 0.00 C ATOM 438 CG LEU A 28 2.202 9.733 4.143 1.00 0.00 C ATOM 439 CD1 LEU A 28 0.812 10.265 4.511 1.00 0.00 C ATOM 440 CD2 LEU A 28 3.154 9.813 5.350 1.00 0.00 C ATOM 0 H LEU A 28 1.659 5.987 2.869 1.00 0.00 H new ATOM 0 HA LEU A 28 3.470 7.316 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.774 8.314 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.100 8.186 3.136 1.00 0.00 H new ATOM 0 HG LEU A 28 2.636 10.375 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.908 11.253 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.199 10.333 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.340 9.587 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.158 10.830 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.817 9.125 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.162 9.541 5.037 1.00 0.00 H new ATOM 536 N ASN A 35 -6.541 -3.646 8.716 1.00 0.00 N ATOM 537 CA ASN A 35 -7.083 -4.189 7.484 1.00 0.00 C ATOM 538 C ASN A 35 -6.755 -3.231 6.289 1.00 0.00 C ATOM 539 O ASN A 35 -6.891 -3.637 5.144 1.00 0.00 O ATOM 540 CB ASN A 35 -8.616 -4.284 7.573 1.00 0.00 C ATOM 541 CG ASN A 35 -9.213 -5.561 8.187 1.00 0.00 C ATOM 542 OD1 ASN A 35 -10.058 -5.535 9.070 1.00 0.00 O ATOM 543 ND2 ASN A 35 -8.759 -6.665 7.618 1.00 0.00 N ATOM 0 HA ASN A 35 -6.642 -5.174 7.331 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.973 -3.433 8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.019 -4.175 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.116 -7.574 7.912 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.051 -6.607 6.886 1.00 0.00 H new ATOM 550 N TRP A 36 -6.327 -1.972 6.580 1.00 0.00 N ATOM 551 CA TRP A 36 -6.043 -0.965 5.528 1.00 0.00 C ATOM 552 C TRP A 36 -4.729 -0.205 5.833 1.00 0.00 C ATOM 553 O TRP A 36 -4.224 -0.213 6.947 1.00 0.00 O ATOM 554 CB TRP A 36 -7.223 0.053 5.376 1.00 0.00 C ATOM 555 CG TRP A 36 -8.509 -0.653 4.958 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.306 -1.435 5.805 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.058 -0.785 3.623 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.263 -2.025 5.059 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.153 -1.663 3.725 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.754 -0.233 2.403 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.875 -1.994 2.609 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.486 -0.568 1.263 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.552 -1.450 1.366 1.00 0.00 C ATOM 0 H TRP A 36 -6.173 -1.635 7.530 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.931 -1.503 4.587 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.381 0.574 6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.962 0.808 4.635 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.176 -1.546 6.871 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.975 -2.655 5.428 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.938 0.470 2.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.702 -2.683 2.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.224 -0.143 0.305 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.127 -1.713 0.491 1.00 0.00 H new ATOM 574 N TYR A 37 -4.199 0.425 4.757 1.00 0.00 N ATOM 575 CA TYR A 37 -2.985 1.254 4.831 1.00 0.00 C ATOM 576 C TYR A 37 -3.285 2.551 4.065 1.00 0.00 C ATOM 577 O TYR A 37 -4.093 2.569 3.148 1.00 0.00 O ATOM 578 CB TYR A 37 -1.772 0.642 4.086 1.00 0.00 C ATOM 579 CG TYR A 37 -1.231 -0.628 4.687 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.032 -0.753 6.044 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.913 -1.729 3.911 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.588 -1.940 6.602 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.439 -2.926 4.457 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.278 -3.066 5.853 1.00 0.00 C ATOM 585 OH TYR A 37 0.130 -4.177 6.620 1.00 0.00 O ATOM 0 H TYR A 37 -4.602 0.370 3.822 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.742 1.371 5.887 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.061 0.443 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.972 1.382 4.056 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.226 0.093 6.687 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.036 -1.661 2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.477 -1.992 7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.194 -3.751 3.805 1.00 0.00 H new ATOM 0 HH TYR A 37 0.330 -4.930 6.025 1.00 0.00 H new ATOM 595 N LYS A 38 -2.609 3.633 4.505 1.00 0.00 N ATOM 596 CA LYS A 38 -2.730 4.922 3.836 1.00 0.00 C ATOM 597 C LYS A 38 -1.447 5.087 2.992 1.00 0.00 C ATOM 598 O LYS A 38 -0.354 5.103 3.547 1.00 0.00 O ATOM 599 CB LYS A 38 -2.912 5.987 4.917 1.00 0.00 C ATOM 600 CG LYS A 38 -3.080 7.391 4.349 1.00 0.00 C ATOM 601 CD LYS A 38 -3.739 8.311 5.380 1.00 0.00 C ATOM 602 CE LYS A 38 -4.445 9.492 4.720 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.384 10.136 5.631 1.00 0.00 N ATOM 0 H LYS A 38 -1.984 3.630 5.311 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.587 5.009 3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.785 5.739 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.049 5.972 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.108 7.793 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.688 7.354 3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.458 7.741 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.983 8.681 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.704 10.219 4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.976 9.149 3.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.845 10.934 5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.105 9.449 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.873 10.486 6.466 1.00 0.00 H new ATOM 617 N ALA A 39 -1.619 5.207 1.652 1.00 0.00 N ATOM 618 CA ALA A 39 -0.426 5.312 0.805 1.00 0.00 C ATOM 619 C ALA A 39 -0.585 6.297 -0.343 1.00 0.00 C ATOM 620 O ALA A 39 -1.672 6.782 -0.624 1.00 0.00 O ATOM 621 CB ALA A 39 -0.112 3.932 0.205 1.00 0.00 C ATOM 0 H ALA A 39 -2.516 5.232 1.167 1.00 0.00 H new ATOM 0 HA ALA A 39 0.378 5.675 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.774 4.003 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.071 3.219 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.958 3.595 -0.394 1.00 0.00 H new ATOM 627 N GLU A 40 0.586 6.548 -0.991 1.00 0.00 N ATOM 628 CA GLU A 40 0.585 7.466 -2.116 1.00 0.00 C ATOM 629 C GLU A 40 0.839 6.710 -3.434 1.00 0.00 C ATOM 630 O GLU A 40 1.708 5.854 -3.526 1.00 0.00 O ATOM 631 CB GLU A 40 1.684 8.509 -1.918 1.00 0.00 C ATOM 632 CG GLU A 40 1.486 9.730 -2.837 1.00 0.00 C ATOM 633 CD GLU A 40 2.494 9.756 -4.000 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.673 10.003 -3.743 1.00 0.00 O ATOM 635 OE2 GLU A 40 2.095 9.527 -5.143 1.00 0.00 O ATOM 0 H GLU A 40 1.490 6.140 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.390 7.951 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.693 8.835 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.655 8.057 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.472 9.720 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.587 10.643 -2.251 1.00 0.00 H new ATOM 642 N LEU A 41 0.059 7.142 -4.438 1.00 0.00 N ATOM 643 CA LEU A 41 0.150 6.577 -5.771 1.00 0.00 C ATOM 644 C LEU A 41 -0.425 7.475 -6.829 1.00 0.00 C ATOM 645 O LEU A 41 -1.481 8.057 -6.645 1.00 0.00 O ATOM 646 CB LEU A 41 -0.751 5.344 -5.967 1.00 0.00 C ATOM 647 CG LEU A 41 -0.167 3.990 -5.607 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.336 3.014 -5.506 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.726 3.535 -6.768 1.00 0.00 C ATOM 0 H LEU A 41 -0.638 7.881 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 41 1.219 6.384 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.655 5.489 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.056 5.312 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 41 0.402 4.034 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.962 2.023 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.027 3.353 -4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.855 2.968 -6.463 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.159 2.562 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.130 3.458 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.525 4.261 -6.919 1.00 0.00 H new ATOM 661 N ASN A 42 0.318 7.532 -7.963 1.00 0.00 N ATOM 662 CA ASN A 42 -0.310 8.175 -9.113 1.00 0.00 C ATOM 663 C ASN A 42 -0.788 9.631 -8.889 1.00 0.00 C ATOM 664 O ASN A 42 -1.670 10.108 -9.594 1.00 0.00 O ATOM 665 CB ASN A 42 -1.471 7.193 -9.500 1.00 0.00 C ATOM 666 CG ASN A 42 -1.428 6.782 -10.971 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.704 7.563 -11.872 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.045 5.507 -11.147 1.00 0.00 N ATOM 0 H ASN A 42 1.264 7.173 -8.092 1.00 0.00 H new ATOM 0 HA ASN A 42 0.413 8.323 -9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.411 6.301 -8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.429 7.667 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.966 5.124 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.833 4.922 -10.339 1.00 0.00 H new ATOM 675 N GLY A 43 -0.191 10.297 -7.871 1.00 0.00 N ATOM 676 CA GLY A 43 -0.560 11.681 -7.559 1.00 0.00 C ATOM 677 C GLY A 43 -1.669 11.847 -6.495 1.00 0.00 C ATOM 678 O GLY A 43 -1.923 12.959 -6.051 1.00 0.00 O ATOM 0 H GLY A 43 0.531 9.901 -7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.330 12.208 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.886 12.168 -8.478 1.00 0.00 H new ATOM 682 N LYS A 44 -2.314 10.722 -6.102 1.00 0.00 N ATOM 683 CA LYS A 44 -3.376 10.717 -5.107 1.00 0.00 C ATOM 684 C LYS A 44 -2.846 9.959 -3.883 1.00 0.00 C ATOM 685 O LYS A 44 -1.807 9.318 -3.916 1.00 0.00 O ATOM 686 CB LYS A 44 -4.619 10.038 -5.717 1.00 0.00 C ATOM 687 CG LYS A 44 -5.305 10.952 -6.748 1.00 0.00 C ATOM 688 CD LYS A 44 -6.234 10.202 -7.710 1.00 0.00 C ATOM 689 CE LYS A 44 -6.622 11.052 -8.929 1.00 0.00 C ATOM 690 NZ LYS A 44 -5.489 11.375 -9.797 1.00 0.00 N ATOM 0 H LYS A 44 -2.100 9.798 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.667 11.723 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.328 9.102 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.324 9.786 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.880 11.714 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.541 11.472 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.743 9.289 -8.048 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.136 9.900 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.375 10.519 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.082 11.978 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.840 11.689 -10.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.926 12.135 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.894 10.531 -9.920 1.00 0.00 H new ATOM 704 N ASP A 45 -3.644 10.062 -2.816 1.00 0.00 N ATOM 705 CA ASP A 45 -3.313 9.433 -1.546 1.00 0.00 C ATOM 706 C ASP A 45 -4.633 8.889 -0.977 1.00 0.00 C ATOM 707 O ASP A 45 -5.648 9.574 -0.969 1.00 0.00 O ATOM 708 CB ASP A 45 -2.694 10.503 -0.630 1.00 0.00 C ATOM 709 CG ASP A 45 -2.365 9.993 0.790 1.00 0.00 C ATOM 710 OD1 ASP A 45 -1.749 8.941 0.930 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.734 10.662 1.752 1.00 0.00 O ATOM 0 H ASP A 45 -4.524 10.577 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.594 8.620 -1.644 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.781 10.879 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.382 11.345 -0.553 1.00 0.00 H new ATOM 716 N GLY A 46 -4.589 7.609 -0.554 1.00 0.00 N ATOM 717 CA GLY A 46 -5.842 7.045 -0.060 1.00 0.00 C ATOM 718 C GLY A 46 -5.677 5.665 0.553 1.00 0.00 C ATOM 719 O GLY A 46 -4.629 5.038 0.455 1.00 0.00 O ATOM 0 H GLY A 46 -3.772 6.998 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.267 7.718 0.685 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.556 6.987 -0.882 1.00 0.00 H new ATOM 723 N PHE A 47 -6.810 5.206 1.137 1.00 0.00 N ATOM 724 CA PHE A 47 -6.783 3.902 1.780 1.00 0.00 C ATOM 725 C PHE A 47 -6.835 2.792 0.701 1.00 0.00 C ATOM 726 O PHE A 47 -7.545 2.847 -0.296 1.00 0.00 O ATOM 727 CB PHE A 47 -7.959 3.762 2.787 1.00 0.00 C ATOM 728 CG PHE A 47 -7.796 4.696 3.970 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.836 4.444 4.935 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.543 5.852 4.112 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.575 5.345 5.950 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.293 6.753 5.128 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.301 6.507 6.049 1.00 0.00 C ATOM 0 H PHE A 47 -7.702 5.700 1.170 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.856 3.799 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.900 3.977 2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.015 2.733 3.141 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.277 3.521 4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.340 6.054 3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.797 5.135 6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.880 7.657 5.200 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.096 7.216 6.837 1.00 0.00 H new ATOM 743 N ILE A 48 -6.001 1.781 1.014 1.00 0.00 N ATOM 744 CA ILE A 48 -5.823 0.580 0.213 1.00 0.00 C ATOM 745 C ILE A 48 -5.713 -0.587 1.199 1.00 0.00 C ATOM 746 O ILE A 48 -5.081 -0.452 2.238 1.00 0.00 O ATOM 747 CB ILE A 48 -4.549 0.713 -0.634 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.298 1.091 0.191 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.781 1.742 -1.740 1.00 0.00 C ATOM 750 CD1 ILE A 48 -2.176 0.085 -0.003 1.00 0.00 C ATOM 0 H ILE A 48 -5.423 1.789 1.855 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.655 0.419 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.346 -0.269 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.953 2.082 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.561 1.145 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.878 1.838 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.607 1.416 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.024 2.707 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.313 0.383 0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.513 -0.902 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.896 0.051 -1.056 1.00 0.00 H new ATOM 762 N PRO A 49 -6.282 -1.772 0.846 1.00 0.00 N ATOM 763 CA PRO A 49 -6.275 -2.873 1.797 1.00 0.00 C ATOM 764 C PRO A 49 -4.932 -3.567 1.970 1.00 0.00 C ATOM 765 O PRO A 49 -4.200 -3.808 1.017 1.00 0.00 O ATOM 766 CB PRO A 49 -7.317 -3.848 1.288 1.00 0.00 C ATOM 767 CG PRO A 49 -7.620 -3.471 -0.154 1.00 0.00 C ATOM 768 CD PRO A 49 -6.965 -2.117 -0.417 1.00 0.00 C ATOM 0 HA PRO A 49 -6.491 -2.484 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.948 -4.872 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.220 -3.798 1.896 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.231 -4.225 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.696 -3.416 -0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.258 -2.174 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.707 -1.364 -0.683 1.00 0.00 H new ATOM 776 N LYS A 50 -4.688 -3.969 3.232 1.00 0.00 N ATOM 777 CA LYS A 50 -3.402 -4.599 3.463 1.00 0.00 C ATOM 778 C LYS A 50 -3.281 -6.021 2.860 1.00 0.00 C ATOM 779 O LYS A 50 -2.219 -6.424 2.407 1.00 0.00 O ATOM 780 CB LYS A 50 -3.090 -4.603 4.941 1.00 0.00 C ATOM 781 CG LYS A 50 -4.029 -5.418 5.781 1.00 0.00 C ATOM 782 CD LYS A 50 -3.659 -5.412 7.272 1.00 0.00 C ATOM 783 CE LYS A 50 -3.893 -6.784 7.894 1.00 0.00 C ATOM 784 NZ LYS A 50 -3.985 -6.717 9.344 1.00 0.00 N ATOM 0 H LYS A 50 -5.310 -3.876 4.035 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.661 -4.000 2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.077 -4.980 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.101 -3.575 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.042 -5.033 5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.034 -6.446 5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.613 -5.128 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.254 -4.664 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.811 -7.212 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.080 -7.453 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.144 -7.671 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.099 -6.332 9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.777 -6.100 9.613 1.00 0.00 H new ATOM 798 N ASN A 51 -4.418 -6.742 2.866 1.00 0.00 N ATOM 799 CA ASN A 51 -4.429 -8.103 2.323 1.00 0.00 C ATOM 800 C ASN A 51 -4.078 -8.160 0.803 1.00 0.00 C ATOM 801 O ASN A 51 -3.599 -9.186 0.339 1.00 0.00 O ATOM 802 CB ASN A 51 -5.761 -8.788 2.669 1.00 0.00 C ATOM 803 CG ASN A 51 -6.931 -7.938 2.197 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.076 -6.795 2.604 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.792 -8.551 1.384 1.00 0.00 N ATOM 0 H ASN A 51 -5.312 -6.414 3.230 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.628 -8.667 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.805 -9.771 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.828 -8.945 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.629 -8.063 1.066 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.613 -9.508 1.080 1.00 0.00 H new ATOM 812 N TYR A 52 -4.214 -7.006 0.087 1.00 0.00 N ATOM 813 CA TYR A 52 -3.900 -6.938 -1.361 1.00 0.00 C ATOM 814 C TYR A 52 -2.432 -6.475 -1.651 1.00 0.00 C ATOM 815 O TYR A 52 -1.970 -6.631 -2.778 1.00 0.00 O ATOM 816 CB TYR A 52 -4.891 -5.997 -2.084 1.00 0.00 C ATOM 817 CG TYR A 52 -6.176 -6.650 -2.541 1.00 0.00 C ATOM 818 CD1 TYR A 52 -6.978 -7.326 -1.646 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.654 -6.559 -3.846 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.189 -7.884 -2.022 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.882 -7.119 -4.235 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.709 -7.783 -3.311 1.00 0.00 C ATOM 823 OH TYR A 52 -10.007 -8.273 -3.433 1.00 0.00 O ATOM 0 H TYR A 52 -4.535 -6.125 0.488 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.000 -7.954 -1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.138 -5.172 -1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.392 -5.566 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.652 -7.423 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.060 -6.040 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.758 -8.424 -1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.198 -7.038 -5.265 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.233 -8.801 -2.639 1.00 0.00 H new ATOM 833 N ILE A 53 -1.715 -5.930 -0.621 1.00 0.00 N ATOM 834 CA ILE A 53 -0.338 -5.446 -0.861 1.00 0.00 C ATOM 835 C ILE A 53 0.648 -6.068 0.136 1.00 0.00 C ATOM 836 O ILE A 53 0.267 -6.721 1.097 1.00 0.00 O ATOM 837 CB ILE A 53 -0.253 -3.878 -0.847 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.921 -3.229 -0.033 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.580 -3.151 -0.592 1.00 0.00 C ATOM 840 CD1 ILE A 53 0.797 -1.744 0.165 1.00 0.00 C ATOM 0 H ILE A 53 -2.055 -5.822 0.335 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.053 -5.770 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 53 0.011 -3.707 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.978 -3.709 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.860 -3.437 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.413 -2.074 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.295 -3.415 -1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.976 -3.447 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.651 -1.381 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.773 -1.248 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.123 -1.525 0.707 1.00 0.00 H new ATOM 852 N GLU A 54 1.941 -5.761 -0.145 1.00 0.00 N ATOM 853 CA GLU A 54 2.990 -6.261 0.759 1.00 0.00 C ATOM 854 C GLU A 54 3.910 -5.077 1.099 1.00 0.00 C ATOM 855 O GLU A 54 4.235 -4.272 0.246 1.00 0.00 O ATOM 856 CB GLU A 54 3.818 -7.414 0.132 1.00 0.00 C ATOM 857 CG GLU A 54 4.378 -8.370 1.213 1.00 0.00 C ATOM 858 CD GLU A 54 3.620 -9.710 1.244 1.00 0.00 C ATOM 859 OE1 GLU A 54 2.414 -9.696 1.490 1.00 0.00 O ATOM 860 OE2 GLU A 54 4.243 -10.748 1.020 1.00 0.00 O ATOM 0 H GLU A 54 2.262 -5.206 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 54 2.520 -6.672 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.193 -7.976 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.642 -6.997 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.435 -8.555 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.310 -7.892 2.190 1.00 0.00 H new ATOM 867 N MET A 55 4.288 -4.968 2.383 1.00 0.00 N ATOM 868 CA MET A 55 5.195 -3.889 2.777 1.00 0.00 C ATOM 869 C MET A 55 6.631 -4.342 2.518 1.00 0.00 C ATOM 870 O MET A 55 6.925 -5.530 2.494 1.00 0.00 O ATOM 871 CB MET A 55 5.084 -3.560 4.268 1.00 0.00 C ATOM 872 CG MET A 55 3.702 -3.049 4.673 1.00 0.00 C ATOM 873 SD MET A 55 3.742 -2.152 6.239 1.00 0.00 S ATOM 874 CE MET A 55 4.028 -3.506 7.394 1.00 0.00 C ATOM 0 H MET A 55 3.992 -5.589 3.136 1.00 0.00 H new ATOM 0 HA MET A 55 4.927 -3.005 2.199 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.318 -4.452 4.848 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.831 -2.808 4.524 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.314 -2.396 3.891 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.014 -3.891 4.755 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.078 -3.113 8.410 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.211 -4.224 7.322 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.968 -4.000 7.149 1.00 0.00 H new ATOM 943 N PRO B 2 -8.457 -12.873 -6.583 1.00 0.00 N ATOM 944 CA PRO B 2 -7.934 -12.199 -5.404 1.00 0.00 C ATOM 945 C PRO B 2 -8.794 -12.331 -4.094 1.00 0.00 C ATOM 946 O PRO B 2 -9.988 -12.613 -4.111 1.00 0.00 O ATOM 947 CB PRO B 2 -7.716 -10.746 -5.849 1.00 0.00 C ATOM 948 CG PRO B 2 -7.957 -10.645 -7.355 1.00 0.00 C ATOM 949 CD PRO B 2 -8.519 -12.005 -7.774 1.00 0.00 C ATOM 0 HA PRO B 2 -7.011 -12.681 -5.082 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.395 -10.082 -5.314 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.702 -10.426 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.658 -9.843 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.031 -10.423 -7.886 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.545 -11.907 -8.129 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.937 -12.429 -8.593 1.00 0.00 H new ATOM 957 N PRO B 3 -8.089 -12.076 -2.944 1.00 0.00 N ATOM 958 CA PRO B 3 -8.677 -12.110 -1.594 1.00 0.00 C ATOM 959 C PRO B 3 -9.939 -11.270 -1.369 1.00 0.00 C ATOM 960 O PRO B 3 -10.164 -10.272 -2.022 1.00 0.00 O ATOM 961 CB PRO B 3 -7.582 -11.485 -0.706 1.00 0.00 C ATOM 962 CG PRO B 3 -6.265 -11.690 -1.446 1.00 0.00 C ATOM 963 CD PRO B 3 -6.637 -11.825 -2.924 1.00 0.00 C ATOM 0 HA PRO B 3 -8.978 -13.138 -1.390 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.774 -10.425 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.556 -11.962 0.274 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.592 -10.848 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.750 -12.582 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.388 -10.918 -3.476 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.091 -12.644 -3.393 1.00 0.00 H new ATOM 971 N PRO B 4 -10.738 -11.668 -0.346 1.00 0.00 N ATOM 972 CA PRO B 4 -11.929 -10.897 0.023 1.00 0.00 C ATOM 973 C PRO B 4 -11.426 -9.655 0.750 1.00 0.00 C ATOM 974 O PRO B 4 -10.776 -9.741 1.785 1.00 0.00 O ATOM 975 CB PRO B 4 -12.666 -11.798 1.027 1.00 0.00 C ATOM 976 CG PRO B 4 -11.643 -12.836 1.519 1.00 0.00 C ATOM 977 CD PRO B 4 -10.469 -12.804 0.534 1.00 0.00 C ATOM 0 HA PRO B 4 -12.563 -10.613 -0.817 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.055 -11.213 1.860 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.518 -12.287 0.556 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.307 -12.599 2.528 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.089 -13.830 1.557 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.520 -12.682 1.056 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.404 -13.734 -0.032 1.00 0.00 H new ATOM 985 N VAL B 5 -11.785 -8.503 0.157 1.00 0.00 N ATOM 986 CA VAL B 5 -11.336 -7.263 0.753 1.00 0.00 C ATOM 987 C VAL B 5 -11.998 -7.075 2.143 1.00 0.00 C ATOM 988 O VAL B 5 -13.086 -7.585 2.384 1.00 0.00 O ATOM 989 CB VAL B 5 -11.641 -6.100 -0.164 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.758 -4.907 0.189 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.433 -6.311 -1.649 1.00 0.00 C ATOM 0 H VAL B 5 -12.353 -8.417 -0.686 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.256 -7.302 0.893 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.708 -5.953 0.002 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -10.986 -4.075 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.946 -4.608 1.220 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.710 -5.184 0.077 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.690 -5.398 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.389 -6.562 -1.838 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.070 -7.125 -1.994 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.285 -6.383 3.070 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.844 -6.138 4.385 1.00 0.00 C ATOM 1003 C PRO B 6 -12.991 -5.133 4.468 1.00 0.00 C ATOM 1004 O PRO B 6 -13.165 -4.266 3.621 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.686 -5.574 5.207 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.403 -5.813 4.432 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.847 -6.103 3.009 1.00 0.00 C ATOM 0 HA PRO B 6 -12.274 -7.078 4.730 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.830 -4.509 5.388 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.639 -6.059 6.182 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.751 -4.941 4.471 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.842 -6.650 4.848 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.645 -5.252 2.359 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.303 -6.954 2.599 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.743 -5.257 5.593 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.805 -4.302 5.875 1.00 0.00 C ATOM 1017 C PRO B 7 -14.131 -3.005 6.372 1.00 0.00 C ATOM 1018 O PRO B 7 -13.456 -3.009 7.392 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.588 -4.907 7.060 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.831 -6.167 7.509 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.640 -6.351 6.561 1.00 0.00 C ATOM 0 HA PRO B 7 -15.440 -4.102 5.012 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.662 -4.191 7.878 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.606 -5.156 6.761 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.489 -6.062 8.539 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.485 -7.039 7.477 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.696 -6.308 7.103 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.679 -7.320 6.064 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.351 -1.917 5.613 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.797 -0.621 6.003 1.00 0.00 C ATOM 1031 C ARG B 8 -14.914 0.137 6.702 1.00 0.00 C ATOM 1032 O ARG B 8 -16.096 -0.129 6.509 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.139 0.219 4.890 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.858 0.455 3.548 1.00 0.00 C ATOM 1035 CD ARG B 8 -14.614 -0.722 2.910 1.00 0.00 C ATOM 1036 NE ARG B 8 -15.979 -0.791 3.432 1.00 0.00 N ATOM 1037 CZ ARG B 8 -16.908 -1.643 2.947 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -16.640 -2.474 1.948 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -18.124 -1.659 3.475 1.00 0.00 N ATOM 0 H ARG B 8 -14.894 -1.912 4.750 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.947 -0.816 6.657 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.924 1.200 5.314 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -12.180 -0.247 4.662 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -14.569 1.269 3.690 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -13.116 0.802 2.829 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -14.637 -0.604 1.827 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.090 -1.655 3.118 1.00 0.00 H new ATOM 0 HE ARG B 8 -16.241 -0.168 4.196 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -15.712 -2.481 1.525 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -17.362 -3.106 1.603 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -18.354 -1.030 4.244 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -18.829 -2.301 3.112 1.00 0.00 H new