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 100:sc= -0.538 USER MOD Set 1.2: A 55 MET CE :methyl -135:sc= -0.745 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -82:sc= 0.127 USER MOD Single : A 18 SER OG : rot 180:sc= 0 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= -0.138 K(o=-0.14,f=-1.5!) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= 0.748 (180deg=0.597) USER MOD Single : A 42 ASN : amide:sc= -0.0684 X(o=-0.068,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -5.06! C(o=-5.1!,f=-13!) USER MOD Single : A 52 TYR OH : rot 2:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 33 N ALA A 3 5.076 -0.918 0.658 1.00 0.00 N ATOM 34 CA ALA A 3 3.863 -1.299 -0.043 1.00 0.00 C ATOM 35 C ALA A 3 4.145 -1.393 -1.568 1.00 0.00 C ATOM 36 O ALA A 3 4.874 -0.636 -2.186 1.00 0.00 O ATOM 37 CB ALA A 3 2.850 -0.195 0.340 1.00 0.00 C ATOM 0 HA ALA A 3 3.475 -2.281 0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.894 -0.395 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.714 -0.185 1.421 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.227 0.774 0.013 1.00 0.00 H new ATOM 43 N ILE A 4 3.602 -2.537 -2.048 1.00 0.00 N ATOM 44 CA ILE A 4 3.650 -3.048 -3.416 1.00 0.00 C ATOM 45 C ILE A 4 2.338 -3.817 -3.638 1.00 0.00 C ATOM 46 O ILE A 4 2.030 -4.763 -2.921 1.00 0.00 O ATOM 47 CB ILE A 4 4.823 -4.064 -3.571 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.204 -3.395 -3.534 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.719 -4.949 -4.832 1.00 0.00 C ATOM 50 CD1 ILE A 4 6.614 -2.650 -4.806 1.00 0.00 C ATOM 0 H ILE A 4 3.083 -3.165 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 4 3.787 -2.229 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 4 4.722 -4.711 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.225 -2.693 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.952 -4.160 -3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.570 -5.629 -4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.795 -5.526 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.719 -4.318 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.605 -2.216 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.634 -3.346 -5.645 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.896 -1.856 -5.010 1.00 0.00 H new ATOM 62 N ALA A 5 1.601 -3.389 -4.679 1.00 0.00 N ATOM 63 CA ALA A 5 0.343 -4.053 -4.989 1.00 0.00 C ATOM 64 C ALA A 5 0.588 -5.490 -5.490 1.00 0.00 C ATOM 65 O ALA A 5 1.289 -5.711 -6.470 1.00 0.00 O ATOM 66 CB ALA A 5 -0.302 -3.310 -6.146 1.00 0.00 C ATOM 0 H ALA A 5 1.850 -2.614 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.273 -4.066 -4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.249 -3.786 -6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.482 -2.274 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.362 -3.336 -7.010 1.00 0.00 H new ATOM 72 N LYS A 6 -0.096 -6.415 -4.795 1.00 0.00 N ATOM 73 CA LYS A 6 -0.012 -7.848 -5.068 1.00 0.00 C ATOM 74 C LYS A 6 -1.130 -8.382 -5.958 1.00 0.00 C ATOM 75 O LYS A 6 -0.986 -9.440 -6.551 1.00 0.00 O ATOM 76 CB LYS A 6 -0.035 -8.589 -3.732 1.00 0.00 C ATOM 77 CG LYS A 6 1.246 -8.385 -2.936 1.00 0.00 C ATOM 78 CD LYS A 6 2.300 -9.488 -3.130 1.00 0.00 C ATOM 79 CE LYS A 6 2.404 -9.962 -4.559 1.00 0.00 C ATOM 80 NZ LYS A 6 3.470 -10.931 -4.737 1.00 0.00 N ATOM 0 H LYS A 6 -0.724 -6.182 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 6 0.914 -8.016 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.885 -8.245 -3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.182 -9.654 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.685 -7.427 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.995 -8.322 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.271 -9.115 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.053 -10.335 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.456 -10.407 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.579 -9.107 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.505 -11.229 -5.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.379 -10.500 -4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.291 -11.759 -4.134 1.00 0.00 H new ATOM 94 N TYR A 7 -2.253 -7.640 -5.972 1.00 0.00 N ATOM 95 CA TYR A 7 -3.429 -8.044 -6.776 1.00 0.00 C ATOM 96 C TYR A 7 -4.060 -6.762 -7.365 1.00 0.00 C ATOM 97 O TYR A 7 -3.714 -5.646 -6.999 1.00 0.00 O ATOM 98 CB TYR A 7 -4.490 -8.808 -5.925 1.00 0.00 C ATOM 99 CG TYR A 7 -4.003 -10.147 -5.376 1.00 0.00 C ATOM 100 CD1 TYR A 7 -3.101 -10.205 -4.325 1.00 0.00 C ATOM 101 CD2 TYR A 7 -4.401 -11.347 -5.940 1.00 0.00 C ATOM 102 CE1 TYR A 7 -2.540 -11.397 -3.912 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.892 -12.556 -5.523 1.00 0.00 C ATOM 104 CZ TYR A 7 -2.942 -12.589 -4.504 1.00 0.00 C ATOM 105 OH TYR A 7 -2.372 -13.786 -4.108 1.00 0.00 O ATOM 0 H TYR A 7 -2.374 -6.773 -5.448 1.00 0.00 H new ATOM 0 HA TYR A 7 -3.102 -8.725 -7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.795 -8.175 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.376 -8.979 -6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.830 -9.292 -3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.134 -11.334 -6.733 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.792 -11.403 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.227 -13.474 -5.983 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.767 -14.522 -4.621 1.00 0.00 H new ATOM 115 N ASP A 8 -4.999 -6.978 -8.311 1.00 0.00 N ATOM 116 CA ASP A 8 -5.684 -5.813 -8.887 1.00 0.00 C ATOM 117 C ASP A 8 -6.563 -5.188 -7.783 1.00 0.00 C ATOM 118 O ASP A 8 -6.988 -5.898 -6.884 1.00 0.00 O ATOM 119 CB ASP A 8 -6.516 -6.188 -10.125 1.00 0.00 C ATOM 120 CG ASP A 8 -5.603 -6.761 -11.219 1.00 0.00 C ATOM 121 OD1 ASP A 8 -4.823 -5.992 -11.783 1.00 0.00 O ATOM 122 OD2 ASP A 8 -5.678 -7.963 -11.484 1.00 0.00 O ATOM 0 H ASP A 8 -5.284 -7.889 -8.671 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.946 -5.089 -9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.276 -6.921 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.040 -5.309 -10.501 1.00 0.00 H new ATOM 127 N PHE A 9 -6.721 -3.842 -7.800 1.00 0.00 N ATOM 128 CA PHE A 9 -7.624 -3.255 -6.801 1.00 0.00 C ATOM 129 C PHE A 9 -8.329 -2.050 -7.417 1.00 0.00 C ATOM 130 O PHE A 9 -7.727 -1.127 -7.944 1.00 0.00 O ATOM 131 CB PHE A 9 -6.891 -2.880 -5.517 1.00 0.00 C ATOM 132 CG PHE A 9 -7.860 -2.592 -4.389 1.00 0.00 C ATOM 133 CD1 PHE A 9 -8.590 -3.657 -3.908 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.137 -1.324 -3.882 1.00 0.00 C ATOM 135 CE1 PHE A 9 -9.588 -3.476 -2.991 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.156 -1.139 -2.955 1.00 0.00 C ATOM 137 CZ PHE A 9 -9.882 -2.230 -2.508 1.00 0.00 C ATOM 0 H PHE A 9 -6.271 -3.191 -8.444 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.367 -4.001 -6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.224 -3.692 -5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.268 -2.004 -5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.370 -4.653 -4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.554 -0.477 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.152 -4.329 -2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.380 -0.149 -2.585 1.00 0.00 H new ATOM 0 HZ PHE A 9 -10.673 -2.099 -1.785 1.00 0.00 H new ATOM 147 N LYS A 10 -9.671 -2.133 -7.247 1.00 0.00 N ATOM 148 CA LYS A 10 -10.577 -1.147 -7.767 1.00 0.00 C ATOM 149 C LYS A 10 -11.300 -0.444 -6.579 1.00 0.00 C ATOM 150 O LYS A 10 -12.239 -1.010 -6.059 1.00 0.00 O ATOM 151 CB LYS A 10 -11.539 -1.696 -8.808 1.00 0.00 C ATOM 152 CG LYS A 10 -11.319 -1.070 -10.211 1.00 0.00 C ATOM 153 CD LYS A 10 -12.394 -0.031 -10.498 1.00 0.00 C ATOM 154 CE LYS A 10 -12.153 0.744 -11.802 1.00 0.00 C ATOM 155 NZ LYS A 10 -12.215 2.188 -11.605 1.00 0.00 N ATOM 0 H LYS A 10 -10.129 -2.893 -6.743 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.997 -0.404 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.419 -2.777 -8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -12.563 -1.508 -8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.333 -0.607 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.344 -1.849 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.364 -0.526 -10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.440 0.673 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.177 0.476 -12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.897 0.448 -12.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.047 2.670 -12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.155 2.449 -11.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.488 2.476 -10.919 1.00 0.00 H new ATOM 169 N ALA A 11 -10.856 0.813 -6.215 1.00 0.00 N ATOM 170 CA ALA A 11 -11.477 1.553 -5.076 1.00 0.00 C ATOM 171 C ALA A 11 -13.015 1.548 -5.114 1.00 0.00 C ATOM 172 O ALA A 11 -13.682 1.130 -6.050 1.00 0.00 O ATOM 173 CB ALA A 11 -11.020 3.024 -5.059 1.00 0.00 C ATOM 0 H ALA A 11 -10.098 1.310 -6.682 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.146 1.027 -4.181 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.487 3.540 -4.220 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.936 3.067 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.314 3.507 -5.991 1.00 0.00 H new ATOM 179 N THR A 12 -13.497 2.030 -3.973 1.00 0.00 N ATOM 180 CA THR A 12 -14.919 2.091 -3.703 1.00 0.00 C ATOM 181 C THR A 12 -15.358 3.523 -3.361 1.00 0.00 C ATOM 182 O THR A 12 -16.510 3.904 -3.561 1.00 0.00 O ATOM 183 CB THR A 12 -15.079 1.262 -2.386 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.450 1.876 -1.203 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.707 -0.254 -2.580 1.00 0.00 C ATOM 0 H THR A 12 -12.912 2.386 -3.217 1.00 0.00 H new ATOM 0 HA THR A 12 -15.497 1.740 -4.558 1.00 0.00 H new ATOM 0 HB THR A 12 -16.145 1.286 -2.160 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.493 1.664 -1.194 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.835 -0.784 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 12 -15.358 -0.695 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.669 -0.335 -2.904 1.00 0.00 H new ATOM 193 N ALA A 13 -14.372 4.302 -2.856 1.00 0.00 N ATOM 194 CA ALA A 13 -14.733 5.652 -2.391 1.00 0.00 C ATOM 195 C ALA A 13 -13.565 6.620 -2.472 1.00 0.00 C ATOM 196 O ALA A 13 -12.424 6.259 -2.709 1.00 0.00 O ATOM 197 CB ALA A 13 -15.206 5.531 -0.924 1.00 0.00 C ATOM 0 H ALA A 13 -13.390 4.041 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.518 6.049 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.482 6.516 -0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.070 4.869 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.400 5.123 -0.314 1.00 0.00 H new ATOM 203 N ASP A 14 -13.958 7.871 -2.194 1.00 0.00 N ATOM 204 CA ASP A 14 -13.100 9.035 -2.245 1.00 0.00 C ATOM 205 C ASP A 14 -11.891 8.962 -1.294 1.00 0.00 C ATOM 206 O ASP A 14 -10.851 9.555 -1.578 1.00 0.00 O ATOM 207 CB ASP A 14 -14.027 10.229 -2.065 1.00 0.00 C ATOM 208 CG ASP A 14 -14.489 10.480 -0.622 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.792 11.193 0.098 1.00 0.00 O ATOM 210 OD2 ASP A 14 -15.544 9.968 -0.245 1.00 0.00 O ATOM 0 H ASP A 14 -14.915 8.094 -1.920 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.583 9.119 -3.201 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.519 11.122 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.907 10.085 -2.692 1.00 0.00 H new ATOM 215 N ASP A 15 -12.030 8.177 -0.212 1.00 0.00 N ATOM 216 CA ASP A 15 -10.920 8.085 0.748 1.00 0.00 C ATOM 217 C ASP A 15 -9.920 6.982 0.337 1.00 0.00 C ATOM 218 O ASP A 15 -8.846 6.858 0.890 1.00 0.00 O ATOM 219 CB ASP A 15 -11.491 7.836 2.157 1.00 0.00 C ATOM 220 CG ASP A 15 -11.868 6.367 2.485 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.321 5.654 1.596 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.688 5.957 3.631 1.00 0.00 O ATOM 0 H ASP A 15 -12.856 7.623 0.013 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.368 9.025 0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.759 8.175 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.379 8.456 2.283 1.00 0.00 H new ATOM 227 N GLU A 16 -10.333 6.224 -0.703 1.00 0.00 N ATOM 228 CA GLU A 16 -9.505 5.107 -1.203 1.00 0.00 C ATOM 229 C GLU A 16 -8.994 5.498 -2.583 1.00 0.00 C ATOM 230 O GLU A 16 -9.514 6.401 -3.232 1.00 0.00 O ATOM 231 CB GLU A 16 -10.289 3.789 -1.309 1.00 0.00 C ATOM 232 CG GLU A 16 -10.285 2.975 0.009 1.00 0.00 C ATOM 233 CD GLU A 16 -11.125 1.695 -0.003 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.365 1.138 -1.073 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.522 1.258 1.075 1.00 0.00 O ATOM 0 H GLU A 16 -11.212 6.361 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.692 4.935 -0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.319 4.007 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.861 3.181 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.255 2.710 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.645 3.617 0.813 1.00 0.00 H new ATOM 242 N LEU A 17 -7.954 4.763 -3.004 1.00 0.00 N ATOM 243 CA LEU A 17 -7.411 5.036 -4.339 1.00 0.00 C ATOM 244 C LEU A 17 -7.103 3.707 -5.034 1.00 0.00 C ATOM 245 O LEU A 17 -6.918 2.677 -4.391 1.00 0.00 O ATOM 246 CB LEU A 17 -6.206 5.985 -4.236 1.00 0.00 C ATOM 247 CG LEU A 17 -4.858 5.270 -4.073 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.144 5.225 -5.411 1.00 0.00 C ATOM 249 CD2 LEU A 17 -3.933 5.959 -3.081 1.00 0.00 C ATOM 0 H LEU A 17 -7.496 4.020 -2.476 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.141 5.555 -4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.169 6.607 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.355 6.654 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.083 4.272 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.186 4.717 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.757 4.684 -6.132 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.975 6.241 -5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.997 5.405 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.729 6.975 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.410 5.992 -2.101 1.00 0.00 H new ATOM 261 N SER A 18 -7.077 3.789 -6.370 1.00 0.00 N ATOM 262 CA SER A 18 -6.835 2.608 -7.208 1.00 0.00 C ATOM 263 C SER A 18 -5.370 2.288 -7.469 1.00 0.00 C ATOM 264 O SER A 18 -4.458 3.078 -7.255 1.00 0.00 O ATOM 265 CB SER A 18 -7.639 2.813 -8.570 1.00 0.00 C ATOM 266 OG SER A 18 -9.074 2.412 -8.686 1.00 0.00 O ATOM 0 H SER A 18 -7.219 4.654 -6.891 1.00 0.00 H new ATOM 0 HA SER A 18 -7.189 1.736 -6.659 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.583 3.873 -8.817 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.094 2.276 -9.346 1.00 0.00 H new ATOM 0 HG SER A 18 -9.398 2.614 -9.589 1.00 0.00 H new ATOM 272 N PHE A 19 -5.262 1.011 -7.911 1.00 0.00 N ATOM 273 CA PHE A 19 -4.005 0.421 -8.335 1.00 0.00 C ATOM 274 C PHE A 19 -4.325 -0.826 -9.149 1.00 0.00 C ATOM 275 O PHE A 19 -5.457 -1.288 -9.239 1.00 0.00 O ATOM 276 CB PHE A 19 -3.016 0.083 -7.210 1.00 0.00 C ATOM 277 CG PHE A 19 -3.546 -0.775 -6.058 1.00 0.00 C ATOM 278 CD1 PHE A 19 -4.229 -0.218 -4.993 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.314 -2.137 -5.995 1.00 0.00 C ATOM 280 CE1 PHE A 19 -4.635 -0.976 -3.913 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.666 -2.889 -4.893 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.322 -2.314 -3.839 1.00 0.00 C ATOM 0 H PHE A 19 -6.056 0.374 -7.977 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.487 1.179 -8.923 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.162 -0.431 -7.652 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.644 1.019 -6.793 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.451 0.839 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.843 -2.627 -6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.203 -0.515 -3.119 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.422 -3.941 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.588 -2.897 -2.969 1.00 0.00 H new ATOM 292 N LYS A 20 -3.236 -1.273 -9.792 1.00 0.00 N ATOM 293 CA LYS A 20 -3.305 -2.450 -10.646 1.00 0.00 C ATOM 294 C LYS A 20 -2.144 -3.321 -10.197 1.00 0.00 C ATOM 295 O LYS A 20 -1.094 -2.810 -9.829 1.00 0.00 O ATOM 296 CB LYS A 20 -3.057 -2.093 -12.132 1.00 0.00 C ATOM 297 CG LYS A 20 -3.934 -0.976 -12.702 1.00 0.00 C ATOM 298 CD LYS A 20 -3.405 0.429 -12.383 1.00 0.00 C ATOM 299 CE LYS A 20 -4.548 1.376 -12.025 1.00 0.00 C ATOM 300 NZ LYS A 20 -4.253 2.756 -12.374 1.00 0.00 N ATOM 0 H LYS A 20 -2.314 -0.840 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.285 -2.920 -10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.012 -1.804 -12.248 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.208 -2.990 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.005 -1.094 -13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.944 -1.076 -12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.699 0.376 -11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.860 0.820 -13.242 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.454 1.059 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.750 1.310 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.058 3.360 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.404 3.070 -11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.086 2.827 -13.398 1.00 0.00 H new ATOM 314 N ARG A 21 -2.385 -4.642 -10.298 1.00 0.00 N ATOM 315 CA ARG A 21 -1.388 -5.634 -9.919 1.00 0.00 C ATOM 316 C ARG A 21 0.033 -5.281 -10.407 1.00 0.00 C ATOM 317 O ARG A 21 0.398 -5.538 -11.547 1.00 0.00 O ATOM 318 CB ARG A 21 -1.840 -6.947 -10.590 1.00 0.00 C ATOM 319 CG ARG A 21 -0.818 -8.100 -10.521 1.00 0.00 C ATOM 320 CD ARG A 21 -1.386 -9.318 -9.812 1.00 0.00 C ATOM 321 NE ARG A 21 -0.516 -10.476 -9.995 1.00 0.00 N ATOM 322 CZ ARG A 21 -0.966 -11.747 -9.959 1.00 0.00 C ATOM 323 NH1 ARG A 21 -2.215 -12.021 -9.603 1.00 0.00 N ATOM 324 NH2 ARG A 21 -0.136 -12.736 -10.266 1.00 0.00 N ATOM 0 H ARG A 21 -3.262 -5.036 -10.639 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.327 -5.697 -8.833 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.768 -7.276 -10.122 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.065 -6.744 -11.637 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.514 -8.376 -11.530 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.077 -7.761 -10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.498 -9.106 -8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.380 -9.539 -10.200 1.00 0.00 H new ATOM 0 HE ARG A 21 0.478 -10.316 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.851 -11.265 -9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.539 -12.988 -9.581 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.829 -12.530 -10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.463 -13.702 -10.243 1.00 0.00 H new ATOM 338 N GLY A 22 0.810 -4.723 -9.453 1.00 0.00 N ATOM 339 CA GLY A 22 2.190 -4.383 -9.757 1.00 0.00 C ATOM 340 C GLY A 22 2.701 -3.081 -9.135 1.00 0.00 C ATOM 341 O GLY A 22 3.873 -3.001 -8.787 1.00 0.00 O ATOM 0 H GLY A 22 0.507 -4.510 -8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.829 -5.200 -9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.299 -4.315 -10.839 1.00 0.00 H new ATOM 345 N ASP A 23 1.794 -2.075 -9.020 1.00 0.00 N ATOM 346 CA ASP A 23 2.205 -0.764 -8.492 1.00 0.00 C ATOM 347 C ASP A 23 3.078 -0.799 -7.219 1.00 0.00 C ATOM 348 O ASP A 23 2.987 -1.695 -6.399 1.00 0.00 O ATOM 349 CB ASP A 23 0.978 0.125 -8.229 1.00 0.00 C ATOM 350 CG ASP A 23 0.386 0.784 -9.489 1.00 0.00 C ATOM 351 OD1 ASP A 23 1.015 0.773 -10.548 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.713 1.327 -9.383 1.00 0.00 O ATOM 0 H ASP A 23 0.810 -2.148 -9.278 1.00 0.00 H new ATOM 0 HA ASP A 23 2.837 -0.350 -9.278 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.205 -0.477 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.256 0.907 -7.522 1.00 0.00 H new ATOM 357 N ILE A 24 3.911 0.256 -7.091 1.00 0.00 N ATOM 358 CA ILE A 24 4.754 0.433 -5.907 1.00 0.00 C ATOM 359 C ILE A 24 4.015 1.473 -5.055 1.00 0.00 C ATOM 360 O ILE A 24 3.845 2.600 -5.505 1.00 0.00 O ATOM 361 CB ILE A 24 6.160 0.973 -6.244 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.892 0.147 -7.328 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.023 1.189 -4.982 1.00 0.00 C ATOM 364 CD1 ILE A 24 8.393 0.464 -7.391 1.00 0.00 C ATOM 0 H ILE A 24 4.012 0.989 -7.793 1.00 0.00 H new ATOM 0 HA ILE A 24 4.909 -0.524 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 24 6.000 1.956 -6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.756 -0.915 -7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.440 0.346 -8.300 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.002 1.569 -5.272 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.534 1.909 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.143 0.242 -4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.861 -0.142 -8.167 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.532 1.520 -7.622 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.853 0.239 -6.429 1.00 0.00 H new ATOM 376 N LEU A 25 3.669 1.094 -3.801 1.00 0.00 N ATOM 377 CA LEU A 25 2.955 1.999 -2.942 1.00 0.00 C ATOM 378 C LEU A 25 3.946 2.479 -1.890 1.00 0.00 C ATOM 379 O LEU A 25 4.787 1.737 -1.367 1.00 0.00 O ATOM 380 CB LEU A 25 1.894 1.166 -2.230 1.00 0.00 C ATOM 381 CG LEU A 25 0.579 0.979 -2.962 1.00 0.00 C ATOM 382 CD1 LEU A 25 0.557 1.374 -4.426 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.013 -0.431 -2.801 1.00 0.00 C ATOM 0 H LEU A 25 3.878 0.184 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 25 2.516 2.835 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.314 0.181 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.685 1.630 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.055 1.702 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.436 1.194 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.802 2.432 -4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.289 0.781 -4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.953 -0.496 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.688 -1.167 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.195 -0.631 -1.745 1.00 0.00 H new ATOM 395 N LYS A 26 3.698 3.795 -1.677 1.00 0.00 N ATOM 396 CA LYS A 26 4.407 4.680 -0.768 1.00 0.00 C ATOM 397 C LYS A 26 3.540 4.869 0.456 1.00 0.00 C ATOM 398 O LYS A 26 2.551 5.559 0.374 1.00 0.00 O ATOM 399 CB LYS A 26 4.700 6.033 -1.450 1.00 0.00 C ATOM 400 CG LYS A 26 6.117 6.117 -2.027 1.00 0.00 C ATOM 401 CD LYS A 26 6.648 7.561 -2.086 1.00 0.00 C ATOM 402 CE LYS A 26 7.169 8.077 -0.735 1.00 0.00 C ATOM 403 NZ LYS A 26 6.327 9.095 -0.104 1.00 0.00 N ATOM 0 H LYS A 26 2.950 4.279 -2.173 1.00 0.00 H new ATOM 0 HA LYS A 26 5.366 4.248 -0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.978 6.195 -2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.560 6.836 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.789 5.511 -1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.123 5.691 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.451 7.615 -2.821 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.852 8.219 -2.435 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.268 7.233 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.168 8.489 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.752 9.386 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.251 9.920 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.379 8.703 0.069 1.00 0.00 H new ATOM 417 N VAL A 27 3.944 4.330 1.618 1.00 0.00 N ATOM 418 CA VAL A 27 3.086 4.437 2.762 1.00 0.00 C ATOM 419 C VAL A 27 3.358 5.741 3.524 1.00 0.00 C ATOM 420 O VAL A 27 4.406 5.934 4.111 1.00 0.00 O ATOM 421 CB VAL A 27 3.342 3.181 3.594 1.00 0.00 C ATOM 422 CG1 VAL A 27 2.633 1.990 2.960 1.00 0.00 C ATOM 423 CG2 VAL A 27 4.801 2.823 3.940 1.00 0.00 C ATOM 0 H VAL A 27 4.825 3.839 1.768 1.00 0.00 H new ATOM 0 HA VAL A 27 2.032 4.489 2.490 1.00 0.00 H new ATOM 0 HB VAL A 27 2.926 3.435 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.818 1.097 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.561 2.184 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.012 1.837 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.820 1.908 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.366 2.672 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.249 3.636 4.512 1.00 0.00 H new ATOM 433 N LEU A 28 2.304 6.586 3.518 1.00 0.00 N ATOM 434 CA LEU A 28 2.386 7.890 4.194 1.00 0.00 C ATOM 435 C LEU A 28 1.768 7.814 5.619 1.00 0.00 C ATOM 436 O LEU A 28 1.985 8.702 6.442 1.00 0.00 O ATOM 437 CB LEU A 28 1.560 8.895 3.329 1.00 0.00 C ATOM 438 CG LEU A 28 2.151 10.297 3.175 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.219 11.002 4.519 1.00 0.00 C ATOM 440 CD2 LEU A 28 3.502 10.333 2.441 1.00 0.00 C ATOM 0 H LEU A 28 1.411 6.393 3.064 1.00 0.00 H new ATOM 0 HA LEU A 28 3.426 8.199 4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.431 8.466 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.566 8.988 3.767 1.00 0.00 H new ATOM 0 HG LEU A 28 1.467 10.844 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.642 11.998 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.216 11.087 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.848 10.428 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.852 11.363 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.231 9.737 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.382 9.924 1.438 1.00 0.00 H new ATOM 536 N ASN A 35 -6.220 -3.363 8.783 1.00 0.00 N ATOM 537 CA ASN A 35 -6.759 -4.022 7.604 1.00 0.00 C ATOM 538 C ASN A 35 -6.479 -3.178 6.322 1.00 0.00 C ATOM 539 O ASN A 35 -6.652 -3.672 5.218 1.00 0.00 O ATOM 540 CB ASN A 35 -8.271 -4.156 7.756 1.00 0.00 C ATOM 541 CG ASN A 35 -8.670 -5.392 8.577 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.888 -6.301 8.822 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.947 -5.353 8.973 1.00 0.00 N ATOM 0 HA ASN A 35 -6.284 -4.998 7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.666 -3.261 8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.729 -4.216 6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.334 -6.120 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.534 -4.556 8.726 1.00 0.00 H new ATOM 550 N TRP A 36 -6.051 -1.906 6.498 1.00 0.00 N ATOM 551 CA TRP A 36 -5.753 -0.992 5.388 1.00 0.00 C ATOM 552 C TRP A 36 -4.339 -0.343 5.584 1.00 0.00 C ATOM 553 O TRP A 36 -3.645 -0.594 6.557 1.00 0.00 O ATOM 554 CB TRP A 36 -6.926 0.050 5.305 1.00 0.00 C ATOM 555 CG TRP A 36 -8.267 -0.635 5.002 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.070 -1.337 5.928 1.00 0.00 C ATOM 557 CD2 TRP A 36 -8.868 -0.848 3.701 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.057 -1.968 5.238 1.00 0.00 N ATOM 559 CE2 TRP A 36 -9.967 -1.704 3.875 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.575 -0.407 2.440 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.693 -2.099 2.789 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.319 -0.795 1.340 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.383 -1.652 1.515 1.00 0.00 C ATOM 0 H TRP A 36 -5.905 -1.491 7.418 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.698 -1.516 4.434 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.999 0.594 6.247 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.708 0.784 4.529 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.925 -1.367 6.998 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.771 -2.559 5.664 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -7.740 0.263 2.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.526 -2.773 2.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.068 -0.430 0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -10.970 -1.972 0.667 1.00 0.00 H new ATOM 574 N TYR A 37 -3.935 0.419 4.545 1.00 0.00 N ATOM 575 CA TYR A 37 -2.716 1.233 4.494 1.00 0.00 C ATOM 576 C TYR A 37 -3.066 2.535 3.717 1.00 0.00 C ATOM 577 O TYR A 37 -3.752 2.453 2.715 1.00 0.00 O ATOM 578 CB TYR A 37 -1.573 0.530 3.731 1.00 0.00 C ATOM 579 CG TYR A 37 -1.061 -0.755 4.350 1.00 0.00 C ATOM 580 CD1 TYR A 37 -0.770 -0.790 5.687 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.825 -1.893 3.608 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.229 -1.849 6.322 1.00 0.00 C ATOM 583 CE2 TYR A 37 -0.292 -3.021 4.196 1.00 0.00 C ATOM 584 CZ TYR A 37 -0.012 -3.023 5.579 1.00 0.00 C ATOM 585 OH TYR A 37 0.453 -4.187 6.181 1.00 0.00 O ATOM 0 H TYR A 37 -4.478 0.482 3.684 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.380 1.418 5.514 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.916 0.313 2.720 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.739 1.226 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.989 0.090 6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.060 -1.901 2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.030 -1.797 7.369 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.090 -3.899 3.600 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.299 -4.795 6.342 1.00 0.00 H new ATOM 595 N LYS A 38 -2.593 3.717 4.168 1.00 0.00 N ATOM 596 CA LYS A 38 -2.830 4.947 3.397 1.00 0.00 C ATOM 597 C LYS A 38 -1.513 5.215 2.624 1.00 0.00 C ATOM 598 O LYS A 38 -0.510 5.533 3.248 1.00 0.00 O ATOM 599 CB LYS A 38 -3.093 6.080 4.389 1.00 0.00 C ATOM 600 CG LYS A 38 -3.492 7.395 3.711 1.00 0.00 C ATOM 601 CD LYS A 38 -4.399 8.245 4.605 1.00 0.00 C ATOM 602 CE LYS A 38 -5.573 8.829 3.828 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.176 10.037 3.125 1.00 0.00 N ATOM 0 H LYS A 38 -2.064 3.841 5.031 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.677 4.868 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.884 5.777 5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.198 6.245 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.595 7.961 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.005 7.179 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.774 7.635 5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.818 9.054 5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.945 8.093 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.392 9.053 4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.869 10.248 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.137 10.831 3.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.238 9.898 2.698 1.00 0.00 H new ATOM 617 N ALA A 39 -1.569 5.139 1.263 1.00 0.00 N ATOM 618 CA ALA A 39 -0.318 5.296 0.492 1.00 0.00 C ATOM 619 C ALA A 39 -0.515 6.201 -0.717 1.00 0.00 C ATOM 620 O ALA A 39 -1.630 6.598 -1.018 1.00 0.00 O ATOM 621 CB ALA A 39 0.173 3.919 -0.014 1.00 0.00 C ATOM 0 H ALA A 39 -2.413 4.980 0.713 1.00 0.00 H new ATOM 0 HA ALA A 39 0.417 5.745 1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.095 4.047 -0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.358 3.264 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.588 3.475 -0.655 1.00 0.00 H new ATOM 627 N GLU A 40 0.642 6.509 -1.377 1.00 0.00 N ATOM 628 CA GLU A 40 0.574 7.410 -2.524 1.00 0.00 C ATOM 629 C GLU A 40 0.915 6.654 -3.828 1.00 0.00 C ATOM 630 O GLU A 40 1.783 5.799 -3.880 1.00 0.00 O ATOM 631 CB GLU A 40 1.536 8.603 -2.316 1.00 0.00 C ATOM 632 CG GLU A 40 1.044 9.956 -2.891 1.00 0.00 C ATOM 633 CD GLU A 40 1.882 11.134 -2.342 1.00 0.00 C ATOM 634 OE1 GLU A 40 1.834 11.363 -1.131 1.00 0.00 O ATOM 635 OE2 GLU A 40 2.563 11.799 -3.124 1.00 0.00 O ATOM 0 H GLU A 40 1.571 6.161 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.443 7.793 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.714 8.724 -1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.495 8.360 -2.773 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.108 9.937 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.006 10.103 -2.636 1.00 0.00 H new ATOM 642 N LEU A 41 0.168 7.163 -4.846 1.00 0.00 N ATOM 643 CA LEU A 41 0.218 6.731 -6.247 1.00 0.00 C ATOM 644 C LEU A 41 -0.323 7.770 -7.199 1.00 0.00 C ATOM 645 O LEU A 41 -1.363 8.366 -6.974 1.00 0.00 O ATOM 646 CB LEU A 41 -0.718 5.568 -6.618 1.00 0.00 C ATOM 647 CG LEU A 41 -0.100 4.200 -6.467 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.194 3.148 -6.197 1.00 0.00 C ATOM 649 CD2 LEU A 41 0.643 3.898 -7.753 1.00 0.00 C ATOM 0 H LEU A 41 -0.507 7.913 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 41 1.278 6.491 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.610 5.622 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.044 5.695 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 41 0.588 4.173 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.735 2.165 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.725 3.402 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.897 3.132 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.106 2.914 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.056 3.912 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.415 4.651 -7.913 1.00 0.00 H new ATOM 661 N ASN A 42 0.461 7.927 -8.293 1.00 0.00 N ATOM 662 CA ASN A 42 -0.070 8.748 -9.372 1.00 0.00 C ATOM 663 C ASN A 42 -0.506 10.172 -8.955 1.00 0.00 C ATOM 664 O ASN A 42 -1.437 10.732 -9.518 1.00 0.00 O ATOM 665 CB ASN A 42 -1.227 7.902 -9.981 1.00 0.00 C ATOM 666 CG ASN A 42 -1.120 7.763 -11.498 1.00 0.00 C ATOM 667 OD1 ASN A 42 -1.177 8.719 -12.256 1.00 0.00 O ATOM 668 ND2 ASN A 42 -0.930 6.488 -11.859 1.00 0.00 N ATOM 0 H ASN A 42 1.388 7.526 -8.436 1.00 0.00 H new ATOM 0 HA ASN A 42 0.708 8.968 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.224 6.910 -9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.181 8.364 -9.729 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.818 6.248 -12.844 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.897 5.756 -11.149 1.00 0.00 H new ATOM 675 N GLY A 43 0.155 10.696 -7.901 1.00 0.00 N ATOM 676 CA GLY A 43 -0.195 12.035 -7.414 1.00 0.00 C ATOM 677 C GLY A 43 -1.553 12.102 -6.670 1.00 0.00 C ATOM 678 O GLY A 43 -2.256 13.104 -6.709 1.00 0.00 O ATOM 0 H GLY A 43 0.905 10.229 -7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.591 12.384 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.222 12.722 -8.260 1.00 0.00 H new ATOM 682 N LYS A 44 -1.898 10.955 -6.047 1.00 0.00 N ATOM 683 CA LYS A 44 -3.087 10.727 -5.230 1.00 0.00 C ATOM 684 C LYS A 44 -2.669 9.890 -4.026 1.00 0.00 C ATOM 685 O LYS A 44 -1.685 9.170 -4.060 1.00 0.00 O ATOM 686 CB LYS A 44 -4.169 9.985 -6.014 1.00 0.00 C ATOM 687 CG LYS A 44 -4.830 10.889 -7.048 1.00 0.00 C ATOM 688 CD LYS A 44 -5.490 10.103 -8.177 1.00 0.00 C ATOM 689 CE LYS A 44 -6.575 10.955 -8.826 1.00 0.00 C ATOM 690 NZ LYS A 44 -6.823 10.598 -10.213 1.00 0.00 N ATOM 0 H LYS A 44 -1.314 10.121 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.502 11.686 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.730 9.121 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.924 9.606 -5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.579 11.510 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.083 11.562 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.745 9.818 -8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.922 9.181 -7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.500 10.850 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.286 12.005 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.569 11.210 -10.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.951 10.723 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.127 9.605 -10.267 1.00 0.00 H new ATOM 704 N ASP A 45 -3.502 9.996 -2.986 1.00 0.00 N ATOM 705 CA ASP A 45 -3.259 9.285 -1.752 1.00 0.00 C ATOM 706 C ASP A 45 -4.634 8.782 -1.286 1.00 0.00 C ATOM 707 O ASP A 45 -5.654 9.444 -1.445 1.00 0.00 O ATOM 708 CB ASP A 45 -2.652 10.257 -0.725 1.00 0.00 C ATOM 709 CG ASP A 45 -2.481 9.634 0.682 1.00 0.00 C ATOM 710 OD1 ASP A 45 -2.173 8.451 0.793 1.00 0.00 O ATOM 711 OD2 ASP A 45 -2.678 10.339 1.667 1.00 0.00 O ATOM 0 H ASP A 45 -4.346 10.569 -2.986 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.562 8.455 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.680 10.595 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.288 11.139 -0.649 1.00 0.00 H new ATOM 716 N GLY A 46 -4.598 7.563 -0.731 1.00 0.00 N ATOM 717 CA GLY A 46 -5.832 6.953 -0.260 1.00 0.00 C ATOM 718 C GLY A 46 -5.554 5.602 0.403 1.00 0.00 C ATOM 719 O GLY A 46 -4.438 5.101 0.358 1.00 0.00 O ATOM 0 H GLY A 46 -3.756 7.002 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.323 7.618 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.518 6.818 -1.096 1.00 0.00 H new ATOM 723 N PHE A 47 -6.630 5.034 0.987 1.00 0.00 N ATOM 724 CA PHE A 47 -6.571 3.749 1.667 1.00 0.00 C ATOM 725 C PHE A 47 -6.546 2.555 0.644 1.00 0.00 C ATOM 726 O PHE A 47 -7.128 2.591 -0.433 1.00 0.00 O ATOM 727 CB PHE A 47 -7.803 3.679 2.614 1.00 0.00 C ATOM 728 CG PHE A 47 -7.798 4.674 3.779 1.00 0.00 C ATOM 729 CD1 PHE A 47 -7.017 4.484 4.900 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.596 5.803 3.784 1.00 0.00 C ATOM 731 CE1 PHE A 47 -7.030 5.374 5.956 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.617 6.695 4.827 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.833 6.482 5.926 1.00 0.00 C ATOM 0 H PHE A 47 -7.556 5.462 0.993 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.649 3.660 2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.704 3.844 2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.869 2.670 3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.378 3.615 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.230 5.991 2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.400 5.194 6.814 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.254 7.566 4.779 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.847 7.174 6.755 1.00 0.00 H new ATOM 743 N ILE A 48 -5.794 1.505 1.054 1.00 0.00 N ATOM 744 CA ILE A 48 -5.653 0.265 0.292 1.00 0.00 C ATOM 745 C ILE A 48 -5.584 -0.894 1.296 1.00 0.00 C ATOM 746 O ILE A 48 -4.939 -0.779 2.319 1.00 0.00 O ATOM 747 CB ILE A 48 -4.428 0.328 -0.629 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.140 0.551 0.164 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.600 1.475 -1.643 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.935 0.411 -0.734 1.00 0.00 C ATOM 0 H ILE A 48 -5.270 1.506 1.929 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.508 0.112 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.352 -0.628 -1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.151 1.543 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.079 -0.170 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.728 1.517 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.494 1.300 -2.242 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.700 2.420 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.027 0.573 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.916 -0.590 -1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.990 1.149 -1.534 1.00 0.00 H new ATOM 762 N PRO A 49 -6.164 -2.066 0.975 1.00 0.00 N ATOM 763 CA PRO A 49 -6.160 -3.162 1.944 1.00 0.00 C ATOM 764 C PRO A 49 -4.804 -3.834 2.126 1.00 0.00 C ATOM 765 O PRO A 49 -4.073 -4.033 1.167 1.00 0.00 O ATOM 766 CB PRO A 49 -7.174 -4.153 1.408 1.00 0.00 C ATOM 767 CG PRO A 49 -7.462 -3.759 -0.042 1.00 0.00 C ATOM 768 CD PRO A 49 -6.808 -2.406 -0.299 1.00 0.00 C ATOM 0 HA PRO A 49 -6.401 -2.780 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.785 -5.170 1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.087 -4.130 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.067 -4.510 -0.727 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.537 -3.702 -0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.081 -2.463 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.545 -1.656 -0.585 1.00 0.00 H new ATOM 776 N LYS A 50 -4.543 -4.253 3.381 1.00 0.00 N ATOM 777 CA LYS A 50 -3.250 -4.896 3.560 1.00 0.00 C ATOM 778 C LYS A 50 -3.200 -6.289 2.895 1.00 0.00 C ATOM 779 O LYS A 50 -2.208 -6.610 2.261 1.00 0.00 O ATOM 780 CB LYS A 50 -2.825 -4.956 5.000 1.00 0.00 C ATOM 781 CG LYS A 50 -3.858 -5.535 5.936 1.00 0.00 C ATOM 782 CD LYS A 50 -3.301 -6.456 7.030 1.00 0.00 C ATOM 783 CE LYS A 50 -3.204 -7.907 6.603 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.270 -8.694 7.402 1.00 0.00 N ATOM 0 H LYS A 50 -5.145 -4.168 4.200 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.525 -4.264 3.048 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.914 -5.551 5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.575 -3.949 5.334 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.395 -4.715 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.586 -6.094 5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.312 -6.104 7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.937 -6.386 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.193 -8.361 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.899 -7.949 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.256 -9.674 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.317 -8.285 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.571 -8.685 8.397 1.00 0.00 H new ATOM 798 N ASN A 51 -4.292 -7.074 3.014 1.00 0.00 N ATOM 799 CA ASN A 51 -4.345 -8.398 2.371 1.00 0.00 C ATOM 800 C ASN A 51 -4.077 -8.358 0.833 1.00 0.00 C ATOM 801 O ASN A 51 -3.681 -9.375 0.284 1.00 0.00 O ATOM 802 CB ASN A 51 -5.647 -9.136 2.698 1.00 0.00 C ATOM 803 CG ASN A 51 -6.833 -8.227 2.419 1.00 0.00 C ATOM 804 OD1 ASN A 51 -6.945 -7.150 2.984 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.710 -8.717 1.548 1.00 0.00 N ATOM 0 H ASN A 51 -5.130 -6.819 3.538 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.520 -8.967 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.723 -10.043 2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.650 -9.443 3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.546 -8.183 1.311 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.546 -9.627 1.116 1.00 0.00 H new ATOM 812 N TYR A 52 -4.226 -7.169 0.177 1.00 0.00 N ATOM 813 CA TYR A 52 -3.957 -7.026 -1.270 1.00 0.00 C ATOM 814 C TYR A 52 -2.510 -6.562 -1.578 1.00 0.00 C ATOM 815 O TYR A 52 -2.165 -6.436 -2.745 1.00 0.00 O ATOM 816 CB TYR A 52 -4.940 -6.047 -1.940 1.00 0.00 C ATOM 817 CG TYR A 52 -6.233 -6.691 -2.376 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.016 -7.364 -1.466 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.664 -6.644 -3.683 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.192 -7.983 -1.857 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.835 -7.243 -4.096 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.623 -7.912 -3.171 1.00 0.00 C ATOM 823 OH TYR A 52 -9.810 -8.571 -3.562 1.00 0.00 O ATOM 0 H TYR A 52 -4.529 -6.308 0.631 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.092 -8.026 -1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.164 -5.238 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.457 -5.598 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.709 -7.410 -0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -6.063 -6.119 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.778 -8.526 -1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.137 -7.192 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.213 -9.008 -2.783 1.00 0.00 H new ATOM 833 N ILE A 53 -1.696 -6.255 -0.544 1.00 0.00 N ATOM 834 CA ILE A 53 -0.329 -5.802 -0.812 1.00 0.00 C ATOM 835 C ILE A 53 0.695 -6.604 0.011 1.00 0.00 C ATOM 836 O ILE A 53 0.373 -7.461 0.822 1.00 0.00 O ATOM 837 CB ILE A 53 -0.212 -4.259 -0.649 1.00 0.00 C ATOM 838 CG1 ILE A 53 0.354 -3.785 0.682 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.493 -3.461 -0.910 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.005 -2.442 0.558 1.00 0.00 C ATOM 0 H ILE A 53 -1.954 -6.311 0.441 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.085 -6.007 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 53 0.504 -4.048 -1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.446 -3.735 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.081 -4.510 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.295 -2.399 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.827 -3.634 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.269 -3.782 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.397 -2.137 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.821 -2.499 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.271 -1.712 0.217 1.00 0.00 H new ATOM 852 N GLU A 54 1.952 -6.227 -0.291 1.00 0.00 N ATOM 853 CA GLU A 54 3.141 -6.753 0.349 1.00 0.00 C ATOM 854 C GLU A 54 3.976 -5.520 0.705 1.00 0.00 C ATOM 855 O GLU A 54 3.990 -4.555 -0.044 1.00 0.00 O ATOM 856 CB GLU A 54 3.916 -7.623 -0.649 1.00 0.00 C ATOM 857 CG GLU A 54 5.235 -8.160 -0.059 1.00 0.00 C ATOM 858 CD GLU A 54 5.438 -9.654 -0.368 1.00 0.00 C ATOM 859 OE1 GLU A 54 5.454 -10.019 -1.544 1.00 0.00 O ATOM 860 OE2 GLU A 54 5.567 -10.437 0.573 1.00 0.00 O ATOM 0 H GLU A 54 2.158 -5.530 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 54 2.908 -7.363 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.291 -8.461 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.132 -7.040 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.072 -7.589 -0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.237 -8.009 1.021 1.00 0.00 H new ATOM 867 N MET A 55 4.568 -5.549 1.918 1.00 0.00 N ATOM 868 CA MET A 55 5.442 -4.446 2.316 1.00 0.00 C ATOM 869 C MET A 55 6.896 -4.694 1.894 1.00 0.00 C ATOM 870 O MET A 55 7.352 -5.828 1.904 1.00 0.00 O ATOM 871 CB MET A 55 5.492 -4.281 3.839 1.00 0.00 C ATOM 872 CG MET A 55 4.115 -4.199 4.497 1.00 0.00 C ATOM 873 SD MET A 55 3.932 -5.581 5.628 1.00 0.00 S ATOM 874 CE MET A 55 2.313 -6.142 5.120 1.00 0.00 C ATOM 0 H MET A 55 4.459 -6.294 2.607 1.00 0.00 H new ATOM 0 HA MET A 55 5.025 -3.565 1.829 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.040 -5.120 4.268 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.053 -3.378 4.079 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.008 -3.256 5.033 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.332 -4.225 3.739 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.705 -6.345 6.002 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.833 -5.370 4.518 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.412 -7.053 4.530 1.00 0.00 H new ATOM 943 N PRO B 2 -8.208 -12.695 -6.358 1.00 0.00 N ATOM 944 CA PRO B 2 -7.789 -11.974 -5.184 1.00 0.00 C ATOM 945 C PRO B 2 -8.666 -12.225 -3.933 1.00 0.00 C ATOM 946 O PRO B 2 -9.832 -12.588 -4.031 1.00 0.00 O ATOM 947 CB PRO B 2 -7.721 -10.508 -5.573 1.00 0.00 C ATOM 948 CG PRO B 2 -8.067 -10.414 -7.053 1.00 0.00 C ATOM 949 CD PRO B 2 -8.509 -11.817 -7.497 1.00 0.00 C ATOM 0 HA PRO B 2 -6.812 -12.338 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.419 -9.920 -4.977 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.725 -10.107 -5.385 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.863 -9.688 -7.218 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.205 -10.080 -7.631 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.572 -11.837 -7.739 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.972 -12.134 -8.391 1.00 0.00 H new ATOM 957 N PRO B 3 -8.021 -12.049 -2.741 1.00 0.00 N ATOM 958 CA PRO B 3 -8.703 -12.181 -1.443 1.00 0.00 C ATOM 959 C PRO B 3 -9.998 -11.357 -1.284 1.00 0.00 C ATOM 960 O PRO B 3 -10.244 -10.397 -1.983 1.00 0.00 O ATOM 961 CB PRO B 3 -7.668 -11.598 -0.468 1.00 0.00 C ATOM 962 CG PRO B 3 -6.292 -11.790 -1.112 1.00 0.00 C ATOM 963 CD PRO B 3 -6.555 -11.921 -2.614 1.00 0.00 C ATOM 0 HA PRO B 3 -9.010 -13.216 -1.294 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.864 -10.542 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.717 -12.105 0.496 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.639 -10.943 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -5.797 -12.679 -0.722 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.188 -11.049 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.046 -12.791 -3.028 1.00 0.00 H new ATOM 971 N PRO B 4 -10.821 -11.738 -0.285 1.00 0.00 N ATOM 972 CA PRO B 4 -12.039 -10.969 0.012 1.00 0.00 C ATOM 973 C PRO B 4 -11.592 -9.798 0.905 1.00 0.00 C ATOM 974 O PRO B 4 -11.231 -9.974 2.060 1.00 0.00 O ATOM 975 CB PRO B 4 -12.877 -11.965 0.822 1.00 0.00 C ATOM 976 CG PRO B 4 -11.880 -12.970 1.433 1.00 0.00 C ATOM 977 CD PRO B 4 -10.626 -12.913 0.556 1.00 0.00 C ATOM 0 HA PRO B 4 -12.582 -10.578 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.442 -11.454 1.602 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.601 -12.473 0.185 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.646 -12.708 2.465 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.300 -13.976 1.447 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.723 -12.823 1.160 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.520 -13.817 -0.044 1.00 0.00 H new ATOM 985 N VAL B 5 -11.639 -8.604 0.289 1.00 0.00 N ATOM 986 CA VAL B 5 -11.208 -7.362 0.941 1.00 0.00 C ATOM 987 C VAL B 5 -11.837 -7.204 2.360 1.00 0.00 C ATOM 988 O VAL B 5 -12.932 -7.704 2.593 1.00 0.00 O ATOM 989 CB VAL B 5 -11.554 -6.140 0.103 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.719 -4.946 0.466 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.320 -6.227 -1.360 1.00 0.00 C ATOM 0 H VAL B 5 -11.974 -8.476 -0.666 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.125 -7.430 1.041 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.619 -6.065 0.322 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.003 -4.100 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.881 -4.694 1.514 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.666 -5.177 0.307 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.610 -5.288 -1.831 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.263 -6.417 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -11.915 -7.040 -1.776 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.101 -6.552 3.312 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.588 -6.312 4.674 1.00 0.00 C ATOM 1003 C PRO B 6 -12.769 -5.336 4.797 1.00 0.00 C ATOM 1004 O PRO B 6 -12.934 -4.433 3.986 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.389 -5.658 5.408 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.154 -5.964 4.585 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.674 -6.271 3.194 1.00 0.00 C ATOM 0 HA PRO B 6 -11.946 -7.261 5.073 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.534 -4.582 5.503 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.290 -6.056 6.418 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.469 -5.116 4.572 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -8.605 -6.811 4.997 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.503 -5.427 2.526 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.149 -7.126 2.768 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.568 -5.515 5.898 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.664 -4.583 6.161 1.00 0.00 C ATOM 1017 C PRO B 7 -14.025 -3.204 6.476 1.00 0.00 C ATOM 1018 O PRO B 7 -13.353 -3.040 7.485 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.355 -5.105 7.439 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.485 -6.254 7.981 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.419 -6.559 6.917 1.00 0.00 C ATOM 0 HA PRO B 7 -15.362 -4.498 5.328 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -15.449 -4.310 8.179 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.363 -5.455 7.217 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.017 -5.970 8.924 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.093 -7.136 8.180 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.419 -6.545 7.349 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -13.566 -7.550 6.487 1.00 0.00 H new ATOM 1029 N ARG B 8 -14.276 -2.231 5.585 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.720 -0.892 5.810 1.00 0.00 C ATOM 1031 C ARG B 8 -14.843 -0.120 6.507 1.00 0.00 C ATOM 1032 O ARG B 8 -15.712 0.424 5.846 1.00 0.00 O ATOM 1033 CB ARG B 8 -13.406 -0.223 4.465 1.00 0.00 C ATOM 1034 CG ARG B 8 -12.924 1.229 4.565 1.00 0.00 C ATOM 1035 CD ARG B 8 -13.777 2.182 3.703 1.00 0.00 C ATOM 1036 NE ARG B 8 -13.735 3.552 4.199 1.00 0.00 N ATOM 1037 CZ ARG B 8 -14.544 4.504 3.688 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -15.399 4.232 2.707 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -14.463 5.736 4.159 1.00 0.00 N ATOM 0 H ARG B 8 -14.835 -2.339 4.739 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.799 -0.920 6.393 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.643 -0.810 3.953 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -14.301 -0.252 3.843 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -12.959 1.552 5.605 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -11.883 1.288 4.248 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -13.419 2.158 2.674 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -14.809 1.833 3.690 1.00 0.00 H new ATOM 0 HE ARG B 8 -13.083 3.795 4.945 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -15.453 3.288 2.325 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -16.001 4.967 2.336 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -13.796 5.956 4.898 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -15.068 6.466 3.783 1.00 0.00 H new