USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 587 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 2 MET CE :methyl -144:sc= 0 (180deg=-0.529) USER MOD Set 1.2: A 79 GLN : amide:sc= -1.59! C(o=-1.6!,f=-13!) USER MOD Set 2.1: A 16 THR OG1 : rot -73:sc= -0.606 USER MOD Set 2.2: A 18 THR OG1 : rot -60:sc= 2.1 USER MOD Set 2.3: A 20 THR OG1 : rot 82:sc= 0.677 USER MOD Set 2.4: A 67 ASN : amide:sc= -0.119 K(o=2.1,f=-8.3!) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 156:sc= 1.31 (180deg=-0.0512) USER MOD Set 3.2: A 50 TYR OH : rot 30:sc= 0.919 USER MOD Set 4.1: A 37 THR OG1 : rot -160:sc= 0.607 USER MOD Set 4.2: A 40 THR OG1 : rot 82:sc= 1.86 USER MOD Set 4.3: A 41 ASN : amide:sc= -2.82! C(o=-0.35!,f=-4.1!) USER MOD Set 5.1: A 23 GLN : amide:sc= -1.76 K(o=-5.8,f=-16!) USER MOD Set 5.2: A 33 HIS : +bothHN:sc= -4.01 K(o=-5.8,f=-11!) USER MOD Set 6.1: A 28 GLN : amide:sc= -1.22 K(o=-1.1,f=-9.6!) USER MOD Set 6.2: A 34 SER OG : rot -1:sc= 0.141 USER MOD Single : A 1 CYS N :NH3+ -144:sc= 1.07 (180deg=0.129) USER MOD Single : A 5 ASN : amide:sc= -0.0416 K(o=-0.042,f=-1.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -149:sc= -2.99! USER MOD Single : A 12 LYS NZ :NH3+ -167:sc= -0.0113 (180deg=-0.166) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 31 HIS : no HD1:sc= -3.4 K(o=-3.4,f=-4.5) USER MOD Single : A 49 ASN : amide:sc= 0.146 K(o=0.15,f=-4!) USER MOD Single : A 53 ASN : amide:sc= -0.108 K(o=-0.11,f=-9.7!) USER MOD Single : A 64 TYR OH : rot 90:sc= -0.981 USER MOD Single : A 65 THR OG1 : rot -91:sc= -0.185! USER MOD Single : A 66 THR OG1 : rot -71:sc= 0.205 USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.038 (180deg=-0.225) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 171:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.828 30.383 2.781 1.00 0.00 N ATOM 51 CA CYS A 1 5.909 30.529 3.723 1.00 0.00 C ATOM 52 C CYS A 1 5.366 30.361 5.141 1.00 0.00 C ATOM 53 O CYS A 1 4.161 30.483 5.365 1.00 0.00 O ATOM 54 CB CYS A 1 6.593 31.892 3.543 1.00 0.00 C ATOM 55 SG CYS A 1 5.580 33.166 2.706 1.00 0.00 S ATOM 0 H1 CYS A 1 5.175 29.902 1.927 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.067 29.820 3.211 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.462 31.322 2.525 1.00 0.00 H new ATOM 0 HA CYS A 1 6.660 29.760 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.883 32.268 4.524 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.511 31.748 2.973 1.00 0.00 H new ATOM 60 N MET A 2 6.243 30.076 6.094 1.00 0.00 N ATOM 61 CA MET A 2 5.805 29.825 7.475 1.00 0.00 C ATOM 62 C MET A 2 5.907 31.051 8.361 1.00 0.00 C ATOM 63 O MET A 2 6.802 31.864 8.217 1.00 0.00 O ATOM 64 CB MET A 2 6.619 28.702 8.120 1.00 0.00 C ATOM 65 CG MET A 2 8.120 28.950 8.076 1.00 0.00 C ATOM 66 SD MET A 2 9.047 27.837 9.141 1.00 0.00 S ATOM 67 CE MET A 2 10.722 28.412 8.867 1.00 0.00 C ATOM 0 H MET A 2 7.250 30.012 5.947 1.00 0.00 H new ATOM 0 HA MET A 2 4.756 29.538 7.397 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.307 28.585 9.158 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.397 27.763 7.613 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.471 28.839 7.050 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.322 29.979 8.372 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.405 27.563 8.880 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.782 28.911 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.999 29.113 9.654 1.00 0.00 H new ATOM 77 N PHE A 3 4.976 31.154 9.292 1.00 0.00 N ATOM 78 CA PHE A 3 4.973 32.217 10.275 1.00 0.00 C ATOM 79 C PHE A 3 5.417 31.630 11.602 1.00 0.00 C ATOM 80 O PHE A 3 4.633 30.962 12.284 1.00 0.00 O ATOM 81 CB PHE A 3 3.572 32.825 10.408 1.00 0.00 C ATOM 82 CG PHE A 3 3.055 33.472 9.150 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.435 32.717 8.168 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.183 34.838 8.956 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.956 33.308 7.016 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.704 35.435 7.805 1.00 0.00 C ATOM 87 CZ PHE A 3 2.090 34.670 6.835 1.00 0.00 C ATOM 0 H PHE A 3 4.199 30.500 9.386 1.00 0.00 H new ATOM 0 HA PHE A 3 5.652 33.011 9.965 1.00 0.00 H new ATOM 0 HB2 PHE A 3 2.877 32.043 10.712 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.585 33.568 11.206 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.325 31.651 8.305 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.662 35.443 9.712 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.477 32.706 6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.810 36.501 7.665 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.715 35.136 5.936 1.00 0.00 H new ATOM 97 N GLY A 4 6.681 31.821 11.942 1.00 0.00 N ATOM 98 CA GLY A 4 7.210 31.210 13.122 1.00 0.00 C ATOM 99 C GLY A 4 7.609 29.783 12.855 1.00 0.00 C ATOM 100 O GLY A 4 8.410 29.511 11.957 1.00 0.00 O ATOM 0 H GLY A 4 7.344 32.390 11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.074 31.774 13.472 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.465 31.241 13.918 1.00 0.00 H new ATOM 104 N ASN A 5 6.974 28.885 13.589 1.00 0.00 N ATOM 105 CA ASN A 5 7.259 27.459 13.533 1.00 0.00 C ATOM 106 C ASN A 5 6.590 26.830 12.332 1.00 0.00 C ATOM 107 O ASN A 5 6.932 25.733 11.921 1.00 0.00 O ATOM 108 CB ASN A 5 6.728 26.784 14.795 1.00 0.00 C ATOM 109 CG ASN A 5 7.468 27.205 16.040 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.650 27.542 16.000 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.773 27.182 17.159 1.00 0.00 N ATOM 0 H ASN A 5 6.236 29.128 14.250 1.00 0.00 H new ATOM 0 HA ASN A 5 8.338 27.326 13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.670 27.020 14.910 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.803 25.702 14.682 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.214 27.451 18.039 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.794 26.896 17.146 1.00 0.00 H new ATOM 118 N GLY A 6 5.611 27.521 11.783 1.00 0.00 N ATOM 119 CA GLY A 6 4.841 26.947 10.715 1.00 0.00 C ATOM 120 C GLY A 6 3.462 26.572 11.188 1.00 0.00 C ATOM 121 O GLY A 6 2.730 25.849 10.513 1.00 0.00 O ATOM 0 H GLY A 6 5.338 28.465 12.058 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.767 27.658 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.350 26.064 10.328 1.00 0.00 H new ATOM 125 N LYS A 7 3.114 27.072 12.362 1.00 0.00 N ATOM 126 CA LYS A 7 1.792 26.871 12.923 1.00 0.00 C ATOM 127 C LYS A 7 0.748 27.554 12.039 1.00 0.00 C ATOM 128 O LYS A 7 -0.334 27.016 11.803 1.00 0.00 O ATOM 129 CB LYS A 7 1.762 27.423 14.345 1.00 0.00 C ATOM 130 CG LYS A 7 2.661 26.660 15.300 1.00 0.00 C ATOM 131 CD LYS A 7 2.559 27.184 16.723 1.00 0.00 C ATOM 132 CE LYS A 7 1.234 26.810 17.366 1.00 0.00 C ATOM 133 NZ LYS A 7 1.172 27.231 18.790 1.00 0.00 N ATOM 0 H LYS A 7 3.738 27.626 12.949 1.00 0.00 H new ATOM 0 HA LYS A 7 1.557 25.807 12.960 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.065 28.470 14.328 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.738 27.394 14.718 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.393 25.604 15.283 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.694 26.733 14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.379 26.782 17.318 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.669 28.268 16.720 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.418 27.276 16.814 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.089 25.732 17.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.253 26.958 19.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.935 26.767 19.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.284 28.263 18.852 1.00 0.00 H new ATOM 147 N GLY A 8 1.104 28.736 11.543 1.00 0.00 N ATOM 148 CA GLY A 8 0.297 29.428 10.571 1.00 0.00 C ATOM 149 C GLY A 8 0.937 29.379 9.200 1.00 0.00 C ATOM 150 O GLY A 8 0.694 30.235 8.360 1.00 0.00 O ATOM 0 H GLY A 8 1.956 29.229 11.808 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.695 28.977 10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.163 30.466 10.877 1.00 0.00 H new ATOM 154 N TYR A 9 1.793 28.384 8.990 1.00 0.00 N ATOM 155 CA TYR A 9 2.359 28.117 7.675 1.00 0.00 C ATOM 156 C TYR A 9 1.256 27.632 6.748 1.00 0.00 C ATOM 157 O TYR A 9 0.806 26.502 6.871 1.00 0.00 O ATOM 158 CB TYR A 9 3.453 27.048 7.786 1.00 0.00 C ATOM 159 CG TYR A 9 3.890 26.455 6.467 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.924 27.211 5.305 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.236 25.119 6.387 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.290 26.649 4.103 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.596 24.547 5.187 1.00 0.00 C ATOM 164 CZ TYR A 9 4.620 25.316 4.047 1.00 0.00 C ATOM 165 OH TYR A 9 4.953 24.748 2.841 1.00 0.00 O ATOM 0 H TYR A 9 2.111 27.746 9.720 1.00 0.00 H new ATOM 0 HA TYR A 9 2.799 29.030 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.322 27.486 8.278 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.094 26.245 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.659 28.257 5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.224 24.513 7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.318 27.253 3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.858 23.500 5.141 1.00 0.00 H new ATOM 0 HH TYR A 9 4.684 23.806 2.838 1.00 0.00 H new ATOM 175 N ARG A 10 0.806 28.480 5.841 1.00 0.00 N ATOM 176 CA ARG A 10 -0.321 28.131 4.984 1.00 0.00 C ATOM 177 C ARG A 10 0.143 27.984 3.535 1.00 0.00 C ATOM 178 O ARG A 10 -0.555 28.379 2.598 1.00 0.00 O ATOM 179 CB ARG A 10 -1.414 29.200 5.087 1.00 0.00 C ATOM 180 CG ARG A 10 -1.571 29.815 6.480 1.00 0.00 C ATOM 181 CD ARG A 10 -2.281 28.912 7.488 1.00 0.00 C ATOM 182 NE ARG A 10 -1.556 27.681 7.761 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.704 26.974 8.877 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.696 27.246 9.716 1.00 0.00 N ATOM 185 NH2 ARG A 10 -0.878 25.973 9.133 1.00 0.00 N ATOM 0 H ARG A 10 1.197 29.408 5.677 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.733 27.178 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.195 29.996 4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.365 28.759 4.789 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.584 30.066 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.126 30.749 6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.421 29.458 8.421 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.273 28.666 7.110 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.899 27.342 7.058 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.349 28.001 9.506 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.805 26.700 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.132 25.747 8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.987 25.427 9.988 1.00 0.00 H new ATOM 199 N GLY A 11 1.323 27.401 3.366 1.00 0.00 N ATOM 200 CA GLY A 11 1.925 27.284 2.050 1.00 0.00 C ATOM 201 C GLY A 11 1.629 25.955 1.379 1.00 0.00 C ATOM 202 O GLY A 11 0.691 25.249 1.766 1.00 0.00 O ATOM 0 H GLY A 11 1.879 27.004 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.562 28.093 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.004 27.408 2.138 1.00 0.00 H new ATOM 206 N LYS A 12 2.460 25.586 0.409 1.00 0.00 N ATOM 207 CA LYS A 12 2.160 24.467 -0.467 1.00 0.00 C ATOM 208 C LYS A 12 3.415 23.664 -0.744 1.00 0.00 C ATOM 209 O LYS A 12 3.484 22.915 -1.720 1.00 0.00 O ATOM 210 CB LYS A 12 1.574 24.992 -1.779 1.00 0.00 C ATOM 211 CG LYS A 12 2.524 25.911 -2.530 1.00 0.00 C ATOM 212 CD LYS A 12 1.773 26.891 -3.410 1.00 0.00 C ATOM 213 CE LYS A 12 1.078 26.196 -4.568 1.00 0.00 C ATOM 214 NZ LYS A 12 2.053 25.621 -5.533 1.00 0.00 N ATOM 0 H LYS A 12 3.347 26.049 0.212 1.00 0.00 H new ATOM 0 HA LYS A 12 1.434 23.816 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.314 24.148 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.649 25.529 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.140 26.459 -1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.200 25.315 -3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.035 27.424 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.467 27.636 -3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.436 25.403 -4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.432 26.907 -5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.559 25.353 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.784 26.328 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.499 24.779 -5.116 1.00 0.00 H new ATOM 228 N ARG A 13 4.419 23.831 0.101 1.00 0.00 N ATOM 229 CA ARG A 13 5.588 22.989 0.018 1.00 0.00 C ATOM 230 C ARG A 13 5.176 21.594 0.416 1.00 0.00 C ATOM 231 O ARG A 13 4.414 21.417 1.358 1.00 0.00 O ATOM 232 CB ARG A 13 6.716 23.478 0.915 1.00 0.00 C ATOM 233 CG ARG A 13 7.525 24.641 0.361 1.00 0.00 C ATOM 234 CD ARG A 13 6.678 25.871 0.110 1.00 0.00 C ATOM 235 NE ARG A 13 7.486 26.997 -0.336 1.00 0.00 N ATOM 236 CZ ARG A 13 7.848 27.193 -1.601 1.00 0.00 C ATOM 237 NH1 ARG A 13 7.498 26.320 -2.543 1.00 0.00 N ATOM 238 NH2 ARG A 13 8.567 28.259 -1.927 1.00 0.00 N ATOM 0 H ARG A 13 4.444 24.533 0.840 1.00 0.00 H new ATOM 0 HA ARG A 13 5.971 23.012 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.293 23.775 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.392 22.645 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.323 24.890 1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.002 24.336 -0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.921 25.645 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.149 26.142 1.024 1.00 0.00 H new ATOM 0 HE ARG A 13 7.792 27.675 0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.950 25.496 -2.296 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.778 26.475 -3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.842 28.928 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.845 28.410 -2.897 1.00 0.00 H new ATOM 252 N VAL A 14 5.658 20.622 -0.311 1.00 0.00 N ATOM 253 CA VAL A 14 5.181 19.253 -0.177 1.00 0.00 C ATOM 254 C VAL A 14 6.339 18.280 -0.276 1.00 0.00 C ATOM 255 O VAL A 14 6.215 17.172 -0.794 1.00 0.00 O ATOM 256 CB VAL A 14 4.138 18.934 -1.268 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.816 19.612 -0.956 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.639 19.386 -2.631 1.00 0.00 C ATOM 0 H VAL A 14 6.389 20.745 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 14 4.711 19.149 0.801 1.00 0.00 H new ATOM 0 HB VAL A 14 3.985 17.855 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.093 19.376 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.443 19.257 0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.962 20.691 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.891 19.153 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.817 20.461 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.568 18.868 -2.867 1.00 0.00 H new ATOM 268 N THR A 15 7.473 18.719 0.220 1.00 0.00 N ATOM 269 CA THR A 15 8.707 18.013 0.079 1.00 0.00 C ATOM 270 C THR A 15 9.573 18.339 1.287 1.00 0.00 C ATOM 271 O THR A 15 9.606 19.489 1.737 1.00 0.00 O ATOM 272 CB THR A 15 9.397 18.477 -1.205 1.00 0.00 C ATOM 273 OG1 THR A 15 8.422 18.907 -2.169 1.00 0.00 O ATOM 274 CG2 THR A 15 10.201 17.360 -1.794 1.00 0.00 C ATOM 0 H THR A 15 7.556 19.593 0.740 1.00 0.00 H new ATOM 0 HA THR A 15 8.541 16.937 0.022 1.00 0.00 H new ATOM 0 HB THR A 15 10.055 19.310 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.877 19.203 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.687 17.704 -2.707 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.958 17.040 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.544 16.522 -2.026 1.00 0.00 H new ATOM 282 N THR A 16 10.254 17.342 1.815 1.00 0.00 N ATOM 283 CA THR A 16 11.016 17.509 3.038 1.00 0.00 C ATOM 284 C THR A 16 12.301 18.290 2.790 1.00 0.00 C ATOM 285 O THR A 16 12.563 18.731 1.666 1.00 0.00 O ATOM 286 CB THR A 16 11.364 16.144 3.647 1.00 0.00 C ATOM 287 OG1 THR A 16 12.124 15.379 2.706 1.00 0.00 O ATOM 288 CG2 THR A 16 10.104 15.381 4.023 1.00 0.00 C ATOM 0 H THR A 16 10.296 16.404 1.415 1.00 0.00 H new ATOM 0 HA THR A 16 10.394 18.071 3.734 1.00 0.00 H new ATOM 0 HB THR A 16 11.951 16.309 4.550 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.535 15.064 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.377 14.417 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.535 15.956 4.754 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.495 15.222 3.133 1.00 0.00 H new ATOM 296 N VAL A 17 13.115 18.436 3.824 1.00 0.00 N ATOM 297 CA VAL A 17 14.387 19.123 3.692 1.00 0.00 C ATOM 298 C VAL A 17 15.315 18.337 2.784 1.00 0.00 C ATOM 299 O VAL A 17 16.248 18.878 2.189 1.00 0.00 O ATOM 300 CB VAL A 17 15.085 19.348 5.041 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.347 20.389 5.867 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.222 18.049 5.816 1.00 0.00 C ATOM 0 H VAL A 17 12.916 18.088 4.762 1.00 0.00 H new ATOM 0 HA VAL A 17 14.167 20.100 3.262 1.00 0.00 H new ATOM 0 HB VAL A 17 16.088 19.722 4.834 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.861 20.530 6.818 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.322 21.334 5.324 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.328 20.050 6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.720 18.243 6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.233 17.631 6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.811 17.339 5.235 1.00 0.00 H new ATOM 312 N THR A 18 15.006 17.067 2.646 1.00 0.00 N ATOM 313 CA THR A 18 15.809 16.161 1.858 1.00 0.00 C ATOM 314 C THR A 18 15.283 16.121 0.442 1.00 0.00 C ATOM 315 O THR A 18 15.944 15.637 -0.477 1.00 0.00 O ATOM 316 CB THR A 18 15.733 14.742 2.430 1.00 0.00 C ATOM 317 OG1 THR A 18 14.418 14.209 2.206 1.00 0.00 O ATOM 318 CG2 THR A 18 16.015 14.753 3.921 1.00 0.00 C ATOM 0 H THR A 18 14.190 16.633 3.078 1.00 0.00 H new ATOM 0 HA THR A 18 16.840 16.513 1.878 1.00 0.00 H new ATOM 0 HB THR A 18 16.480 14.124 1.932 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.755 14.773 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.957 13.736 4.310 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.013 15.153 4.100 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.278 15.378 4.426 1.00 0.00 H new ATOM 326 N GLY A 19 14.081 16.645 0.272 1.00 0.00 N ATOM 327 CA GLY A 19 13.431 16.565 -1.005 1.00 0.00 C ATOM 328 C GLY A 19 12.594 15.315 -1.132 1.00 0.00 C ATOM 329 O GLY A 19 12.161 14.965 -2.229 1.00 0.00 O ATOM 0 H GLY A 19 13.548 17.123 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.799 17.442 -1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.181 16.582 -1.796 1.00 0.00 H new ATOM 333 N THR A 20 12.374 14.622 -0.021 1.00 0.00 N ATOM 334 CA THR A 20 11.422 13.529 -0.014 1.00 0.00 C ATOM 335 C THR A 20 9.995 14.083 0.019 1.00 0.00 C ATOM 336 O THR A 20 9.643 14.836 0.921 1.00 0.00 O ATOM 337 CB THR A 20 11.644 12.595 1.188 1.00 0.00 C ATOM 338 OG1 THR A 20 12.944 11.984 1.102 1.00 0.00 O ATOM 339 CG2 THR A 20 10.572 11.518 1.233 1.00 0.00 C ATOM 0 H THR A 20 12.836 14.797 0.871 1.00 0.00 H new ATOM 0 HA THR A 20 11.571 12.949 -0.924 1.00 0.00 H new ATOM 0 HB THR A 20 11.583 13.187 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.621 12.606 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.746 10.867 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.591 11.985 1.325 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.609 10.929 0.317 1.00 0.00 H new ATOM 347 N PRO A 21 9.170 13.754 -0.988 1.00 0.00 N ATOM 348 CA PRO A 21 7.766 14.172 -1.034 1.00 0.00 C ATOM 349 C PRO A 21 7.010 13.868 0.245 1.00 0.00 C ATOM 350 O PRO A 21 6.991 12.723 0.715 1.00 0.00 O ATOM 351 CB PRO A 21 7.195 13.321 -2.151 1.00 0.00 C ATOM 352 CG PRO A 21 8.335 13.125 -3.076 1.00 0.00 C ATOM 353 CD PRO A 21 9.542 12.973 -2.187 1.00 0.00 C ATOM 0 HA PRO A 21 7.681 15.249 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.819 12.370 -1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.362 13.820 -2.646 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.190 12.242 -3.698 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.446 13.975 -3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.736 11.928 -1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.443 13.363 -2.660 1.00 0.00 H new ATOM 361 N CYS A 22 6.393 14.888 0.806 1.00 0.00 N ATOM 362 CA CYS A 22 5.511 14.692 1.943 1.00 0.00 C ATOM 363 C CYS A 22 4.304 13.854 1.547 1.00 0.00 C ATOM 364 O CYS A 22 3.742 14.008 0.463 1.00 0.00 O ATOM 365 CB CYS A 22 5.052 16.030 2.512 1.00 0.00 C ATOM 366 SG CYS A 22 6.429 17.091 3.036 1.00 0.00 S ATOM 0 H CYS A 22 6.484 15.856 0.497 1.00 0.00 H new ATOM 0 HA CYS A 22 6.071 14.161 2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.463 16.555 1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.395 15.850 3.363 1.00 0.00 H new ATOM 371 N GLN A 23 3.954 12.938 2.426 1.00 0.00 N ATOM 372 CA GLN A 23 2.768 12.118 2.293 1.00 0.00 C ATOM 373 C GLN A 23 1.537 12.954 2.527 1.00 0.00 C ATOM 374 O GLN A 23 1.611 14.050 3.086 1.00 0.00 O ATOM 375 CB GLN A 23 2.793 11.027 3.349 1.00 0.00 C ATOM 376 CG GLN A 23 1.777 9.920 3.161 1.00 0.00 C ATOM 377 CD GLN A 23 1.913 8.890 4.248 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.715 7.988 4.132 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.083 8.972 5.272 1.00 0.00 N ATOM 0 H GLN A 23 4.495 12.739 3.267 1.00 0.00 H new ATOM 0 HA GLN A 23 2.749 11.690 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.789 10.584 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.630 11.485 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.770 10.337 3.171 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.918 9.451 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.423 9.747 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.102 8.260 6.002 1.00 0.00 H new ATOM 388 N ASP A 24 0.407 12.405 2.161 1.00 0.00 N ATOM 389 CA ASP A 24 -0.849 13.046 2.421 1.00 0.00 C ATOM 390 C ASP A 24 -1.139 12.848 3.883 1.00 0.00 C ATOM 391 O ASP A 24 -1.105 11.719 4.383 1.00 0.00 O ATOM 392 CB ASP A 24 -1.978 12.431 1.583 1.00 0.00 C ATOM 393 CG ASP A 24 -1.933 12.820 0.118 1.00 0.00 C ATOM 394 OD1 ASP A 24 -0.895 12.597 -0.537 1.00 0.00 O ATOM 395 OD2 ASP A 24 -2.951 13.333 -0.392 1.00 0.00 O ATOM 0 H ASP A 24 0.335 11.509 1.679 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.792 14.102 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.927 11.345 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.937 12.737 2.001 1.00 0.00 H new ATOM 400 N TRP A 25 -1.369 13.939 4.575 1.00 0.00 N ATOM 401 CA TRP A 25 -1.773 13.883 5.969 1.00 0.00 C ATOM 402 C TRP A 25 -3.005 13.010 6.094 1.00 0.00 C ATOM 403 O TRP A 25 -3.236 12.366 7.112 1.00 0.00 O ATOM 404 CB TRP A 25 -2.075 15.284 6.474 1.00 0.00 C ATOM 405 CG TRP A 25 -0.980 16.250 6.175 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.861 17.021 5.066 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.149 16.547 6.995 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.279 17.767 5.144 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.911 17.505 6.321 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.584 16.097 8.230 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.087 18.027 6.847 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.749 16.611 8.761 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.490 17.570 8.070 1.00 0.00 C ATOM 0 H TRP A 25 -1.284 14.883 4.197 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.966 13.460 6.568 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -3.001 15.638 6.020 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.241 15.250 7.551 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.562 17.042 4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.607 18.419 4.431 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.018 15.353 8.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.661 18.767 6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.092 16.266 9.725 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.397 17.958 8.509 1.00 0.00 H new ATOM 424 N ALA A 26 -3.778 13.000 5.022 1.00 0.00 N ATOM 425 CA ALA A 26 -4.973 12.190 4.929 1.00 0.00 C ATOM 426 C ALA A 26 -4.663 10.714 4.662 1.00 0.00 C ATOM 427 O ALA A 26 -5.486 9.849 4.966 1.00 0.00 O ATOM 428 CB ALA A 26 -5.884 12.740 3.846 1.00 0.00 C ATOM 0 H ALA A 26 -3.590 13.558 4.189 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.476 12.239 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.782 12.126 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.162 13.765 4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.363 12.724 2.889 1.00 0.00 H new ATOM 434 N ALA A 27 -3.478 10.400 4.126 1.00 0.00 N ATOM 435 CA ALA A 27 -3.205 9.052 3.708 1.00 0.00 C ATOM 436 C ALA A 27 -2.374 8.371 4.758 1.00 0.00 C ATOM 437 O ALA A 27 -1.609 9.012 5.444 1.00 0.00 O ATOM 438 CB ALA A 27 -2.481 9.044 2.373 1.00 0.00 C ATOM 0 H ALA A 27 -2.715 11.060 3.980 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.146 8.515 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.283 8.015 2.073 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.102 9.529 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.538 9.582 2.467 1.00 0.00 H new ATOM 444 N GLN A 28 -2.522 7.081 4.872 1.00 0.00 N ATOM 445 CA GLN A 28 -1.751 6.285 5.793 1.00 0.00 C ATOM 446 C GLN A 28 -0.722 5.588 4.951 1.00 0.00 C ATOM 447 O GLN A 28 -0.321 4.452 5.214 1.00 0.00 O ATOM 448 CB GLN A 28 -2.645 5.247 6.475 1.00 0.00 C ATOM 449 CG GLN A 28 -3.867 5.835 7.151 1.00 0.00 C ATOM 450 CD GLN A 28 -3.492 6.785 8.254 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.294 6.373 9.386 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.385 8.063 7.932 1.00 0.00 N ATOM 0 H GLN A 28 -3.191 6.543 4.321 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.301 6.897 6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.969 4.518 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.057 4.707 7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.475 6.357 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.480 5.030 7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.560 8.364 6.973 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.128 8.748 8.643 1.00 0.00 H new ATOM 461 N GLU A 29 -0.309 6.288 3.912 1.00 0.00 N ATOM 462 CA GLU A 29 0.274 5.633 2.783 1.00 0.00 C ATOM 463 C GLU A 29 1.415 6.399 2.140 1.00 0.00 C ATOM 464 O GLU A 29 1.219 7.497 1.628 1.00 0.00 O ATOM 465 CB GLU A 29 -0.831 5.404 1.768 1.00 0.00 C ATOM 466 CG GLU A 29 -1.851 4.365 2.195 1.00 0.00 C ATOM 467 CD GLU A 29 -2.841 4.053 1.099 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.557 3.157 0.278 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.904 4.709 1.047 1.00 0.00 O ATOM 0 H GLU A 29 -0.371 7.303 3.837 1.00 0.00 H new ATOM 0 HA GLU A 29 0.715 4.699 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.344 6.348 1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.385 5.094 0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.335 3.450 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.386 4.724 3.074 1.00 0.00 H new ATOM 476 N PRO A 30 2.615 5.797 2.110 1.00 0.00 N ATOM 477 CA PRO A 30 2.853 4.450 2.637 1.00 0.00 C ATOM 478 C PRO A 30 3.259 4.436 4.116 1.00 0.00 C ATOM 479 O PRO A 30 4.027 3.579 4.551 1.00 0.00 O ATOM 480 CB PRO A 30 4.005 3.965 1.761 1.00 0.00 C ATOM 481 CG PRO A 30 4.790 5.198 1.440 1.00 0.00 C ATOM 482 CD PRO A 30 3.836 6.368 1.513 1.00 0.00 C ATOM 0 HA PRO A 30 1.957 3.831 2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.618 3.232 2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.637 3.484 0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.610 5.326 2.146 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.233 5.124 0.447 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.240 7.174 2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.640 6.785 0.525 1.00 0.00 H new ATOM 490 N HIS A 31 2.746 5.395 4.876 1.00 0.00 N ATOM 491 CA HIS A 31 3.032 5.500 6.297 1.00 0.00 C ATOM 492 C HIS A 31 1.736 5.684 7.052 1.00 0.00 C ATOM 493 O HIS A 31 1.037 6.700 6.902 1.00 0.00 O ATOM 494 CB HIS A 31 4.005 6.653 6.583 1.00 0.00 C ATOM 495 CG HIS A 31 5.365 6.424 6.007 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.620 6.471 4.659 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.539 6.109 6.598 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.887 6.190 4.443 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.472 5.968 5.603 1.00 0.00 N ATOM 0 H HIS A 31 2.121 6.120 4.523 1.00 0.00 H new ATOM 0 HA HIS A 31 3.515 4.582 6.632 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.595 7.577 6.176 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.091 6.790 7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.711 5.990 7.658 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.367 6.148 3.477 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.455 5.731 5.738 1.00 0.00 H new ATOM 508 N ARG A 32 1.399 4.678 7.832 1.00 0.00 N ATOM 509 CA ARG A 32 0.155 4.663 8.566 1.00 0.00 C ATOM 510 C ARG A 32 0.259 5.633 9.723 1.00 0.00 C ATOM 511 O ARG A 32 1.086 5.457 10.618 1.00 0.00 O ATOM 512 CB ARG A 32 -0.162 3.259 9.111 1.00 0.00 C ATOM 513 CG ARG A 32 -0.387 2.178 8.056 1.00 0.00 C ATOM 514 CD ARG A 32 0.865 1.879 7.243 1.00 0.00 C ATOM 515 NE ARG A 32 2.057 1.724 8.080 1.00 0.00 N ATOM 516 CZ ARG A 32 3.230 1.276 7.630 1.00 0.00 C ATOM 517 NH1 ARG A 32 3.352 0.867 6.376 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.277 1.223 8.437 1.00 0.00 N ATOM 0 H ARG A 32 1.979 3.851 7.973 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.648 4.953 7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.658 2.946 9.757 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.053 3.324 9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.724 1.264 8.545 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.185 2.493 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.710 0.967 6.666 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.030 2.685 6.528 1.00 0.00 H new ATOM 0 HE ARG A 32 1.986 1.974 9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.547 0.894 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.251 0.525 6.036 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.189 1.525 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.172 0.880 8.089 1.00 0.00 H new ATOM 532 N HIS A 33 -0.563 6.661 9.705 1.00 0.00 N ATOM 533 CA HIS A 33 -0.503 7.674 10.746 1.00 0.00 C ATOM 534 C HIS A 33 -1.888 8.265 10.999 1.00 0.00 C ATOM 535 O HIS A 33 -2.322 9.225 10.364 1.00 0.00 O ATOM 536 CB HIS A 33 0.510 8.774 10.391 1.00 0.00 C ATOM 537 CG HIS A 33 0.079 9.620 9.249 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.189 10.950 9.368 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.201 9.297 7.992 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.621 11.424 8.229 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.634 10.443 7.364 1.00 0.00 N ATOM 0 H HIS A 33 -1.274 6.820 8.991 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.163 7.197 11.665 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.670 9.407 11.264 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.468 8.313 10.152 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.070 11.496 10.221 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.107 8.318 7.546 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.915 12.445 8.036 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.918 10.515 6.387 1.00 0.00 H new ATOM 550 N SER A 34 -2.599 7.654 11.900 1.00 0.00 N ATOM 551 CA SER A 34 -3.876 8.187 12.348 1.00 0.00 C ATOM 552 C SER A 34 -3.647 9.333 13.337 1.00 0.00 C ATOM 553 O SER A 34 -4.396 9.514 14.298 1.00 0.00 O ATOM 554 CB SER A 34 -4.710 7.071 12.972 1.00 0.00 C ATOM 555 OG SER A 34 -4.864 5.997 12.060 1.00 0.00 O ATOM 0 H SER A 34 -2.324 6.780 12.349 1.00 0.00 H new ATOM 0 HA SER A 34 -4.426 8.586 11.495 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.229 6.716 13.883 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.689 7.457 13.258 1.00 0.00 H new ATOM 0 HG SER A 34 -4.415 6.217 11.217 1.00 0.00 H new ATOM 561 N ILE A 35 -2.593 10.096 13.072 1.00 0.00 N ATOM 562 CA ILE A 35 -2.178 11.205 13.883 1.00 0.00 C ATOM 563 C ILE A 35 -1.669 12.273 12.949 1.00 0.00 C ATOM 564 O ILE A 35 -1.097 11.955 11.897 1.00 0.00 O ATOM 565 CB ILE A 35 -1.070 10.825 14.890 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.086 10.131 14.166 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.628 9.943 15.998 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.240 9.749 15.071 1.00 0.00 C ATOM 0 H ILE A 35 -1.994 9.945 12.260 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.027 11.549 14.474 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.689 11.737 15.350 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.292 9.233 13.677 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.457 10.789 13.380 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.831 9.687 16.696 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.416 10.479 16.528 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.038 9.030 15.565 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.018 9.263 14.483 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.646 10.645 15.540 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.887 9.064 15.842 1.00 0.00 H new ATOM 580 N PHE A 36 -1.875 13.516 13.323 1.00 0.00 N ATOM 581 CA PHE A 36 -1.543 14.638 12.485 1.00 0.00 C ATOM 582 C PHE A 36 -2.195 14.497 11.117 1.00 0.00 C ATOM 583 O PHE A 36 -1.566 14.643 10.070 1.00 0.00 O ATOM 584 CB PHE A 36 -0.032 14.817 12.412 1.00 0.00 C ATOM 585 CG PHE A 36 0.603 14.762 13.773 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.455 15.810 14.662 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.326 13.652 14.170 1.00 0.00 C ATOM 588 CE1 PHE A 36 1.020 15.753 15.921 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.890 13.586 15.427 1.00 0.00 C ATOM 590 CZ PHE A 36 1.738 14.640 16.303 1.00 0.00 C ATOM 0 H PHE A 36 -2.280 13.774 14.223 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.945 15.550 12.926 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.396 14.039 11.780 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.198 15.773 11.942 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.109 16.683 14.369 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.451 12.825 13.486 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.899 16.580 16.606 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.449 12.711 15.724 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.181 14.594 17.287 1.00 0.00 H new ATOM 600 N THR A 37 -3.468 14.154 11.167 1.00 0.00 N ATOM 601 CA THR A 37 -4.332 14.151 10.009 1.00 0.00 C ATOM 602 C THR A 37 -5.172 15.425 10.008 1.00 0.00 C ATOM 603 O THR A 37 -5.088 16.224 10.946 1.00 0.00 O ATOM 604 CB THR A 37 -5.296 12.947 10.040 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.231 13.103 11.123 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.536 11.639 10.202 1.00 0.00 C ATOM 0 H THR A 37 -3.935 13.866 12.027 1.00 0.00 H new ATOM 0 HA THR A 37 -3.706 14.090 9.119 1.00 0.00 H new ATOM 0 HB THR A 37 -5.833 12.914 9.092 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.621 12.232 11.346 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.241 10.808 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.848 11.512 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.973 11.658 11.135 1.00 0.00 H new ATOM 614 N PRO A 38 -5.993 15.640 8.974 1.00 0.00 N ATOM 615 CA PRO A 38 -6.993 16.705 8.989 1.00 0.00 C ATOM 616 C PRO A 38 -8.022 16.508 10.105 1.00 0.00 C ATOM 617 O PRO A 38 -8.660 17.459 10.547 1.00 0.00 O ATOM 618 CB PRO A 38 -7.676 16.591 7.625 1.00 0.00 C ATOM 619 CG PRO A 38 -6.740 15.806 6.772 1.00 0.00 C ATOM 620 CD PRO A 38 -5.982 14.902 7.700 1.00 0.00 C ATOM 0 HA PRO A 38 -6.539 17.679 9.170 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.641 16.091 7.710 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.864 17.576 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.286 15.228 6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.061 16.465 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.463 13.928 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.966 14.723 7.347 1.00 0.00 H new ATOM 628 N GLU A 39 -8.154 15.269 10.577 1.00 0.00 N ATOM 629 CA GLU A 39 -9.173 14.932 11.563 1.00 0.00 C ATOM 630 C GLU A 39 -8.665 15.165 12.978 1.00 0.00 C ATOM 631 O GLU A 39 -9.423 15.558 13.868 1.00 0.00 O ATOM 632 CB GLU A 39 -9.617 13.474 11.401 1.00 0.00 C ATOM 633 CG GLU A 39 -10.709 13.270 10.359 1.00 0.00 C ATOM 634 CD GLU A 39 -10.369 13.875 9.013 1.00 0.00 C ATOM 635 OE1 GLU A 39 -9.491 13.329 8.317 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.977 14.906 8.655 1.00 0.00 O ATOM 0 H GLU A 39 -7.568 14.485 10.291 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.029 15.585 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.752 12.870 11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.973 13.105 12.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.889 12.202 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.637 13.710 10.724 1.00 0.00 H new ATOM 643 N THR A 40 -7.380 14.919 13.187 1.00 0.00 N ATOM 644 CA THR A 40 -6.789 15.091 14.503 1.00 0.00 C ATOM 645 C THR A 40 -6.278 16.512 14.689 1.00 0.00 C ATOM 646 O THR A 40 -6.167 17.000 15.814 1.00 0.00 O ATOM 647 CB THR A 40 -5.632 14.099 14.736 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.654 14.231 13.699 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.140 12.667 14.777 1.00 0.00 C ATOM 0 H THR A 40 -6.731 14.602 12.467 1.00 0.00 H new ATOM 0 HA THR A 40 -7.574 14.892 15.233 1.00 0.00 H new ATOM 0 HB THR A 40 -5.177 14.333 15.698 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.060 14.983 13.903 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.303 11.989 14.943 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.860 12.559 15.588 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.622 12.425 13.830 1.00 0.00 H new ATOM 657 N ASN A 41 -5.981 17.185 13.583 1.00 0.00 N ATOM 658 CA ASN A 41 -5.397 18.518 13.651 1.00 0.00 C ATOM 659 C ASN A 41 -6.044 19.485 12.659 1.00 0.00 C ATOM 660 O ASN A 41 -5.362 20.059 11.818 1.00 0.00 O ATOM 661 CB ASN A 41 -3.890 18.446 13.385 1.00 0.00 C ATOM 662 CG ASN A 41 -3.147 17.652 14.434 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.026 16.430 14.345 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.639 18.348 15.434 1.00 0.00 N ATOM 0 H ASN A 41 -6.133 16.833 12.638 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.582 18.899 14.655 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.720 17.996 12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.484 19.457 13.346 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.121 17.874 16.174 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.764 19.360 15.467 1.00 0.00 H new ATOM 671 N PRO A 42 -7.363 19.717 12.751 1.00 0.00 N ATOM 672 CA PRO A 42 -8.061 20.677 11.876 1.00 0.00 C ATOM 673 C PRO A 42 -7.593 22.124 12.088 1.00 0.00 C ATOM 674 O PRO A 42 -8.118 23.051 11.474 1.00 0.00 O ATOM 675 CB PRO A 42 -9.536 20.546 12.281 1.00 0.00 C ATOM 676 CG PRO A 42 -9.632 19.278 13.062 1.00 0.00 C ATOM 677 CD PRO A 42 -8.287 19.059 13.688 1.00 0.00 C ATOM 0 HA PRO A 42 -7.868 20.460 10.825 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.854 21.399 12.880 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.181 20.514 11.403 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.407 19.350 13.825 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.899 18.443 12.414 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.231 19.499 14.683 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.062 17.998 13.796 1.00 0.00 H new ATOM 685 N ARG A 43 -6.591 22.310 12.941 1.00 0.00 N ATOM 686 CA ARG A 43 -6.152 23.639 13.325 1.00 0.00 C ATOM 687 C ARG A 43 -4.984 24.105 12.471 1.00 0.00 C ATOM 688 O ARG A 43 -4.701 25.302 12.395 1.00 0.00 O ATOM 689 CB ARG A 43 -5.751 23.640 14.797 1.00 0.00 C ATOM 690 CG ARG A 43 -4.515 22.808 15.098 1.00 0.00 C ATOM 691 CD ARG A 43 -4.406 22.520 16.585 1.00 0.00 C ATOM 692 NE ARG A 43 -3.130 21.899 16.951 1.00 0.00 N ATOM 693 CZ ARG A 43 -2.974 21.084 17.997 1.00 0.00 C ATOM 694 NH1 ARG A 43 -4.026 20.724 18.723 1.00 0.00 N ATOM 695 NH2 ARG A 43 -1.773 20.610 18.302 1.00 0.00 N ATOM 0 H ARG A 43 -6.068 21.551 13.379 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.980 24.330 13.168 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.572 24.667 15.114 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.584 23.264 15.391 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.559 21.870 14.544 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.624 23.337 14.759 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.525 23.450 17.140 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.223 21.864 16.884 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.314 22.101 16.373 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.955 21.070 18.482 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.905 20.101 19.522 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.964 20.868 17.737 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.658 19.988 19.102 1.00 0.00 H new ATOM 709 N ALA A 44 -4.295 23.172 11.826 1.00 0.00 N ATOM 710 CA ALA A 44 -3.117 23.539 11.068 1.00 0.00 C ATOM 711 C ALA A 44 -3.358 23.429 9.572 1.00 0.00 C ATOM 712 O ALA A 44 -2.456 23.654 8.768 1.00 0.00 O ATOM 713 CB ALA A 44 -1.910 22.717 11.496 1.00 0.00 C ATOM 0 H ALA A 44 -4.528 22.179 11.814 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.901 24.585 11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.041 23.015 10.910 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.710 22.888 12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.114 21.659 11.332 1.00 0.00 H new ATOM 719 N GLY A 45 -4.587 23.082 9.217 1.00 0.00 N ATOM 720 CA GLY A 45 -4.981 23.035 7.821 1.00 0.00 C ATOM 721 C GLY A 45 -4.215 21.986 7.044 1.00 0.00 C ATOM 722 O GLY A 45 -3.699 22.254 5.963 1.00 0.00 O ATOM 0 H GLY A 45 -5.324 22.830 9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.049 22.826 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.818 24.012 7.366 1.00 0.00 H new ATOM 726 N LEU A 46 -4.138 20.793 7.611 1.00 0.00 N ATOM 727 CA LEU A 46 -3.401 19.689 7.008 1.00 0.00 C ATOM 728 C LEU A 46 -4.159 19.089 5.829 1.00 0.00 C ATOM 729 O LEU A 46 -4.731 18.004 5.930 1.00 0.00 O ATOM 730 CB LEU A 46 -3.119 18.601 8.050 1.00 0.00 C ATOM 731 CG LEU A 46 -2.218 19.027 9.213 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.982 19.840 10.228 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.596 17.820 9.875 1.00 0.00 C ATOM 0 H LEU A 46 -4.582 20.561 8.499 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.456 20.088 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.069 18.255 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.658 17.750 7.548 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.424 19.652 8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.315 20.127 11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.380 20.736 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.804 19.245 10.626 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.960 18.144 10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.382 17.170 10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.997 17.274 9.147 1.00 0.00 H new ATOM 745 N GLU A 47 -4.168 19.802 4.718 1.00 0.00 N ATOM 746 CA GLU A 47 -4.784 19.303 3.510 1.00 0.00 C ATOM 747 C GLU A 47 -3.738 18.724 2.575 1.00 0.00 C ATOM 748 O GLU A 47 -2.571 19.123 2.611 1.00 0.00 O ATOM 749 CB GLU A 47 -5.575 20.399 2.802 1.00 0.00 C ATOM 750 CG GLU A 47 -4.958 21.784 2.889 1.00 0.00 C ATOM 751 CD GLU A 47 -5.802 22.829 2.186 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.697 22.948 0.945 1.00 0.00 O ATOM 753 OE2 GLU A 47 -6.583 23.526 2.868 1.00 0.00 O ATOM 0 H GLU A 47 -3.754 20.730 4.631 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.477 18.511 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.683 20.129 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.578 20.436 3.226 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.836 22.061 3.936 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.962 21.765 2.447 1.00 0.00 H new ATOM 760 N LYS A 48 -4.166 17.775 1.751 1.00 0.00 N ATOM 761 CA LYS A 48 -3.290 17.113 0.792 1.00 0.00 C ATOM 762 C LYS A 48 -2.012 16.615 1.457 1.00 0.00 C ATOM 763 O LYS A 48 -2.051 15.736 2.318 1.00 0.00 O ATOM 764 CB LYS A 48 -2.947 18.033 -0.386 1.00 0.00 C ATOM 765 CG LYS A 48 -4.123 18.347 -1.298 1.00 0.00 C ATOM 766 CD LYS A 48 -3.639 18.817 -2.659 1.00 0.00 C ATOM 767 CE LYS A 48 -4.789 19.230 -3.561 1.00 0.00 C ATOM 768 NZ LYS A 48 -5.418 20.498 -3.109 1.00 0.00 N ATOM 0 H LYS A 48 -5.130 17.443 1.729 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.836 16.252 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.545 18.968 0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.158 17.568 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.746 17.460 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.747 19.117 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.959 19.659 -2.531 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.072 18.019 -3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.426 19.348 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.539 18.439 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.890 20.957 -3.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.118 20.293 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.687 21.132 -2.729 1.00 0.00 H new ATOM 782 N ASN A 49 -0.889 17.206 1.076 1.00 0.00 N ATOM 783 CA ASN A 49 0.394 16.853 1.642 1.00 0.00 C ATOM 784 C ASN A 49 1.239 18.101 1.845 1.00 0.00 C ATOM 785 O ASN A 49 2.460 18.024 1.974 1.00 0.00 O ATOM 786 CB ASN A 49 1.119 15.849 0.742 1.00 0.00 C ATOM 787 CG ASN A 49 1.486 16.395 -0.629 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.784 17.236 -1.197 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.591 15.908 -1.175 1.00 0.00 N ATOM 0 H ASN A 49 -0.847 17.940 0.369 1.00 0.00 H new ATOM 0 HA ASN A 49 0.231 16.384 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.028 15.518 1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.487 14.970 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.888 16.228 -2.097 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.145 15.214 -0.673 1.00 0.00 H new ATOM 796 N TYR A 50 0.576 19.254 1.878 1.00 0.00 N ATOM 797 CA TYR A 50 1.271 20.520 2.122 1.00 0.00 C ATOM 798 C TYR A 50 1.913 20.480 3.499 1.00 0.00 C ATOM 799 O TYR A 50 1.234 20.187 4.476 1.00 0.00 O ATOM 800 CB TYR A 50 0.318 21.717 2.099 1.00 0.00 C ATOM 801 CG TYR A 50 -0.647 21.777 0.939 1.00 0.00 C ATOM 802 CD1 TYR A 50 -0.222 22.104 -0.340 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.995 21.533 1.139 1.00 0.00 C ATOM 804 CE1 TYR A 50 -1.119 22.181 -1.387 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.897 21.612 0.103 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.456 21.937 -1.158 1.00 0.00 C ATOM 807 OH TYR A 50 -3.359 22.027 -2.188 1.00 0.00 O ATOM 0 H TYR A 50 -0.431 19.341 1.741 1.00 0.00 H new ATOM 0 HA TYR A 50 2.010 20.639 1.329 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.258 21.715 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.914 22.630 2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.825 22.301 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.345 21.276 2.128 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.775 22.431 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.945 21.420 0.279 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.917 21.797 -3.032 1.00 0.00 H new ATOM 817 N CYS A 51 3.198 20.797 3.584 1.00 0.00 N ATOM 818 CA CYS A 51 3.902 20.769 4.849 1.00 0.00 C ATOM 819 C CYS A 51 3.170 21.609 5.874 1.00 0.00 C ATOM 820 O CYS A 51 2.573 22.632 5.532 1.00 0.00 O ATOM 821 CB CYS A 51 5.317 21.292 4.666 1.00 0.00 C ATOM 822 SG CYS A 51 6.307 20.323 3.494 1.00 0.00 S ATOM 0 H CYS A 51 3.771 21.076 2.788 1.00 0.00 H new ATOM 0 HA CYS A 51 3.945 19.739 5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.271 22.325 4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.820 21.300 5.633 1.00 0.00 H new ATOM 827 N ARG A 52 3.206 21.175 7.118 1.00 0.00 N ATOM 828 CA ARG A 52 2.485 21.850 8.183 1.00 0.00 C ATOM 829 C ARG A 52 3.172 21.622 9.502 1.00 0.00 C ATOM 830 O ARG A 52 4.026 20.749 9.616 1.00 0.00 O ATOM 831 CB ARG A 52 1.034 21.360 8.275 1.00 0.00 C ATOM 832 CG ARG A 52 0.107 22.008 7.264 1.00 0.00 C ATOM 833 CD ARG A 52 0.322 23.510 7.241 1.00 0.00 C ATOM 834 NE ARG A 52 -0.715 24.223 6.508 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.693 24.441 5.186 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.329 24.006 4.455 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.680 25.112 4.597 1.00 0.00 N ATOM 0 H ARG A 52 3.730 20.353 7.419 1.00 0.00 H new ATOM 0 HA ARG A 52 2.477 22.915 7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.015 20.280 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.657 21.556 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.290 21.592 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.930 21.786 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.356 23.882 8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.291 23.726 6.791 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.511 24.580 7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.098 23.505 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.344 24.173 3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.460 25.464 5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.657 25.274 3.590 1.00 0.00 H new ATOM 851 N ASN A 53 2.824 22.414 10.497 1.00 0.00 N ATOM 852 CA ASN A 53 3.332 22.162 11.829 1.00 0.00 C ATOM 853 C ASN A 53 2.184 22.046 12.833 1.00 0.00 C ATOM 854 O ASN A 53 1.864 23.010 13.528 1.00 0.00 O ATOM 855 CB ASN A 53 4.300 23.262 12.261 1.00 0.00 C ATOM 856 CG ASN A 53 5.317 22.739 13.246 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.103 21.701 13.871 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.410 23.467 13.417 1.00 0.00 N ATOM 0 H ASN A 53 2.205 23.220 10.412 1.00 0.00 H new ATOM 0 HA ASN A 53 3.873 21.216 11.807 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.811 23.665 11.386 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.743 24.084 12.711 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.118 23.174 14.090 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.544 24.321 12.876 1.00 0.00 H new ATOM 865 N PRO A 54 1.539 20.862 12.916 1.00 0.00 N ATOM 866 CA PRO A 54 0.474 20.606 13.891 1.00 0.00 C ATOM 867 C PRO A 54 0.946 20.783 15.328 1.00 0.00 C ATOM 868 O PRO A 54 0.179 21.195 16.202 1.00 0.00 O ATOM 869 CB PRO A 54 0.088 19.144 13.657 1.00 0.00 C ATOM 870 CG PRO A 54 0.582 18.812 12.298 1.00 0.00 C ATOM 871 CD PRO A 54 1.780 19.692 12.053 1.00 0.00 C ATOM 0 HA PRO A 54 -0.351 21.306 13.759 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.539 18.495 14.407 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.991 19.008 13.726 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.854 17.759 12.230 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.190 18.991 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.709 19.186 12.316 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.859 19.978 11.004 1.00 0.00 H new ATOM 879 N ASP A 55 2.217 20.482 15.560 1.00 0.00 N ATOM 880 CA ASP A 55 2.788 20.548 16.893 1.00 0.00 C ATOM 881 C ASP A 55 3.347 21.928 17.147 1.00 0.00 C ATOM 882 O ASP A 55 3.531 22.347 18.288 1.00 0.00 O ATOM 883 CB ASP A 55 3.919 19.527 17.070 1.00 0.00 C ATOM 884 CG ASP A 55 3.468 18.096 16.885 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.045 17.467 17.880 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.555 17.588 15.752 1.00 0.00 O ATOM 0 H ASP A 55 2.873 20.189 14.836 1.00 0.00 H new ATOM 0 HA ASP A 55 1.991 20.322 17.601 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.712 19.746 16.355 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.348 19.639 18.066 1.00 0.00 H new ATOM 891 N GLY A 56 3.596 22.638 16.052 1.00 0.00 N ATOM 892 CA GLY A 56 4.347 23.864 16.112 1.00 0.00 C ATOM 893 C GLY A 56 5.723 23.613 16.661 1.00 0.00 C ATOM 894 O GLY A 56 6.208 24.348 17.518 1.00 0.00 O ATOM 0 H GLY A 56 3.284 22.377 15.117 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.421 24.301 15.116 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.825 24.587 16.739 1.00 0.00 H new ATOM 898 N ASP A 57 6.326 22.539 16.162 1.00 0.00 N ATOM 899 CA ASP A 57 7.685 22.163 16.500 1.00 0.00 C ATOM 900 C ASP A 57 8.586 23.371 16.380 1.00 0.00 C ATOM 901 O ASP A 57 8.515 24.097 15.384 1.00 0.00 O ATOM 902 CB ASP A 57 8.182 21.080 15.543 1.00 0.00 C ATOM 903 CG ASP A 57 9.310 20.259 16.127 1.00 0.00 C ATOM 904 OD1 ASP A 57 9.025 19.282 16.851 1.00 0.00 O ATOM 905 OD2 ASP A 57 10.484 20.587 15.864 1.00 0.00 O ATOM 0 H ASP A 57 5.876 21.902 15.505 1.00 0.00 H new ATOM 0 HA ASP A 57 7.702 21.782 17.521 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.353 20.420 15.285 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.519 21.546 14.617 1.00 0.00 H new ATOM 910 N VAL A 58 9.444 23.557 17.368 1.00 0.00 N ATOM 911 CA VAL A 58 10.285 24.746 17.460 1.00 0.00 C ATOM 912 C VAL A 58 11.383 24.721 16.394 1.00 0.00 C ATOM 913 O VAL A 58 12.261 25.585 16.353 1.00 0.00 O ATOM 914 CB VAL A 58 10.914 24.850 18.869 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.553 26.213 19.096 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.868 24.564 19.937 1.00 0.00 C ATOM 0 H VAL A 58 9.580 22.892 18.129 1.00 0.00 H new ATOM 0 HA VAL A 58 9.658 25.620 17.287 1.00 0.00 H new ATOM 0 HB VAL A 58 11.703 24.101 18.940 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.985 26.250 20.096 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.337 26.375 18.356 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.796 26.991 18.999 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.325 24.641 20.924 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.057 25.288 19.855 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.472 23.558 19.798 1.00 0.00 H new ATOM 926 N GLY A 59 11.309 23.740 15.509 1.00 0.00 N ATOM 927 CA GLY A 59 12.289 23.606 14.471 1.00 0.00 C ATOM 928 C GLY A 59 11.730 24.040 13.143 1.00 0.00 C ATOM 929 O GLY A 59 12.481 24.321 12.206 1.00 0.00 O ATOM 0 H GLY A 59 10.576 23.030 15.498 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.166 24.206 14.714 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.619 22.569 14.409 1.00 0.00 H new ATOM 933 N GLY A 60 10.405 24.109 13.053 1.00 0.00 N ATOM 934 CA GLY A 60 9.789 24.499 11.810 1.00 0.00 C ATOM 935 C GLY A 60 8.814 23.456 11.334 1.00 0.00 C ATOM 936 O GLY A 60 8.623 22.442 12.009 1.00 0.00 O ATOM 0 H GLY A 60 9.757 23.903 13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.273 25.450 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.558 24.654 11.053 1.00 0.00 H new ATOM 940 N PRO A 61 8.189 23.659 10.171 1.00 0.00 N ATOM 941 CA PRO A 61 7.154 22.767 9.687 1.00 0.00 C ATOM 942 C PRO A 61 7.726 21.457 9.196 1.00 0.00 C ATOM 943 O PRO A 61 8.898 21.360 8.818 1.00 0.00 O ATOM 944 CB PRO A 61 6.522 23.539 8.539 1.00 0.00 C ATOM 945 CG PRO A 61 7.631 24.370 8.023 1.00 0.00 C ATOM 946 CD PRO A 61 8.464 24.744 9.219 1.00 0.00 C ATOM 0 HA PRO A 61 6.444 22.498 10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.133 22.869 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.687 24.152 8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.223 23.819 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.250 25.259 7.520 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.524 24.802 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.177 25.716 9.622 1.00 0.00 H new ATOM 954 N TRP A 62 6.882 20.464 9.174 1.00 0.00 N ATOM 955 CA TRP A 62 7.292 19.122 8.887 1.00 0.00 C ATOM 956 C TRP A 62 6.187 18.430 8.129 1.00 0.00 C ATOM 957 O TRP A 62 5.209 19.062 7.716 1.00 0.00 O ATOM 958 CB TRP A 62 7.585 18.377 10.193 1.00 0.00 C ATOM 959 CG TRP A 62 6.407 18.357 11.118 1.00 0.00 C ATOM 960 CD1 TRP A 62 5.969 19.378 11.896 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.517 17.267 11.353 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.848 18.995 12.594 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.556 17.704 12.280 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.435 15.972 10.864 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.531 16.887 12.735 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.417 15.160 11.316 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.475 15.620 12.239 1.00 0.00 C ATOM 0 H TRP A 62 5.884 20.566 9.356 1.00 0.00 H new ATOM 0 HA TRP A 62 8.200 19.131 8.283 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.881 17.353 9.965 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.429 18.849 10.695 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.434 20.351 11.958 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.322 19.582 13.241 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.153 15.607 10.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.807 17.242 13.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.346 14.147 10.949 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.687 14.958 12.566 1.00 0.00 H new ATOM 978 N CYS A 63 6.355 17.151 7.940 1.00 0.00 N ATOM 979 CA CYS A 63 5.373 16.342 7.273 1.00 0.00 C ATOM 980 C CYS A 63 5.723 14.882 7.461 1.00 0.00 C ATOM 981 O CYS A 63 6.715 14.556 8.110 1.00 0.00 O ATOM 982 CB CYS A 63 5.317 16.702 5.792 1.00 0.00 C ATOM 983 SG CYS A 63 6.860 16.380 4.881 1.00 0.00 S ATOM 0 H CYS A 63 7.181 16.637 8.246 1.00 0.00 H new ATOM 0 HA CYS A 63 4.388 16.528 7.702 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.509 16.140 5.324 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.067 17.759 5.697 1.00 0.00 H new ATOM 988 N TYR A 64 4.915 14.011 6.902 1.00 0.00 N ATOM 989 CA TYR A 64 5.235 12.600 6.875 1.00 0.00 C ATOM 990 C TYR A 64 5.781 12.300 5.511 1.00 0.00 C ATOM 991 O TYR A 64 5.363 12.922 4.548 1.00 0.00 O ATOM 992 CB TYR A 64 4.005 11.754 7.193 1.00 0.00 C ATOM 993 CG TYR A 64 3.701 11.724 8.671 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.514 11.011 9.536 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.619 12.408 9.203 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.263 10.975 10.889 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.358 12.377 10.562 1.00 0.00 C ATOM 998 CZ TYR A 64 3.187 11.658 11.398 1.00 0.00 C ATOM 999 OH TYR A 64 2.937 11.620 12.745 1.00 0.00 O ATOM 0 H TYR A 64 4.029 14.254 6.459 1.00 0.00 H new ATOM 0 HA TYR A 64 5.975 12.354 7.637 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.144 12.151 6.655 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.163 10.737 6.836 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.362 10.472 9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 64 1.971 12.972 8.549 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.909 10.412 11.546 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.511 12.912 10.965 1.00 0.00 H new ATOM 0 HH TYR A 64 3.409 12.357 13.186 1.00 0.00 H new ATOM 1009 N THR A 65 6.723 11.396 5.403 1.00 0.00 N ATOM 1010 CA THR A 65 7.404 11.244 4.140 1.00 0.00 C ATOM 1011 C THR A 65 6.878 10.025 3.423 1.00 0.00 C ATOM 1012 O THR A 65 6.473 9.056 4.057 1.00 0.00 O ATOM 1013 CB THR A 65 8.934 11.117 4.314 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.300 9.746 4.505 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.427 11.938 5.497 1.00 0.00 C ATOM 0 H THR A 65 7.030 10.771 6.149 1.00 0.00 H new ATOM 0 HA THR A 65 7.210 12.142 3.553 1.00 0.00 H new ATOM 0 HB THR A 65 9.401 11.499 3.406 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.301 9.538 5.463 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.507 11.827 5.592 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.183 12.988 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.945 11.587 6.409 1.00 0.00 H new ATOM 1023 N THR A 66 6.843 10.083 2.108 1.00 0.00 N ATOM 1024 CA THR A 66 6.557 8.900 1.324 1.00 0.00 C ATOM 1025 C THR A 66 7.822 8.035 1.171 1.00 0.00 C ATOM 1026 O THR A 66 7.938 7.227 0.251 1.00 0.00 O ATOM 1027 CB THR A 66 5.999 9.289 -0.056 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.863 10.253 -0.677 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.594 9.868 0.069 1.00 0.00 C ATOM 0 H THR A 66 7.008 10.929 1.563 1.00 0.00 H new ATOM 0 HA THR A 66 5.801 8.315 1.848 1.00 0.00 H new ATOM 0 HB THR A 66 5.951 8.390 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.777 11.114 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.221 10.135 -0.920 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.933 9.126 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.622 10.757 0.699 1.00 0.00 H new ATOM 1037 N ASN A 67 8.752 8.204 2.113 1.00 0.00 N ATOM 1038 CA ASN A 67 10.040 7.516 2.100 1.00 0.00 C ATOM 1039 C ASN A 67 10.039 6.381 3.123 1.00 0.00 C ATOM 1040 O ASN A 67 9.836 6.617 4.314 1.00 0.00 O ATOM 1041 CB ASN A 67 11.143 8.522 2.446 1.00 0.00 C ATOM 1042 CG ASN A 67 12.550 7.978 2.362 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.787 6.776 2.424 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.502 8.884 2.267 1.00 0.00 N ATOM 0 H ASN A 67 8.629 8.827 2.911 1.00 0.00 H new ATOM 0 HA ASN A 67 10.218 7.095 1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.059 9.376 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.972 8.893 3.457 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.480 8.595 2.243 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.261 9.874 2.218 1.00 0.00 H new ATOM 1051 N PRO A 68 10.279 5.139 2.680 1.00 0.00 N ATOM 1052 CA PRO A 68 10.253 3.960 3.557 1.00 0.00 C ATOM 1053 C PRO A 68 11.378 3.939 4.592 1.00 0.00 C ATOM 1054 O PRO A 68 11.482 3.007 5.390 1.00 0.00 O ATOM 1055 CB PRO A 68 10.393 2.775 2.589 1.00 0.00 C ATOM 1056 CG PRO A 68 10.149 3.338 1.226 1.00 0.00 C ATOM 1057 CD PRO A 68 10.579 4.773 1.289 1.00 0.00 C ATOM 0 HA PRO A 68 9.340 3.941 4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.385 2.329 2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.674 1.990 2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.717 2.793 0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.097 3.258 0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.638 4.889 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.029 5.392 0.580 1.00 0.00 H new ATOM 1065 N ARG A 69 12.220 4.955 4.568 1.00 0.00 N ATOM 1066 CA ARG A 69 13.294 5.078 5.533 1.00 0.00 C ATOM 1067 C ARG A 69 12.819 5.740 6.820 1.00 0.00 C ATOM 1068 O ARG A 69 13.128 5.279 7.917 1.00 0.00 O ATOM 1069 CB ARG A 69 14.416 5.894 4.921 1.00 0.00 C ATOM 1070 CG ARG A 69 15.228 5.132 3.893 1.00 0.00 C ATOM 1071 CD ARG A 69 15.965 3.968 4.535 1.00 0.00 C ATOM 1072 NE ARG A 69 16.706 4.391 5.727 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.311 3.560 6.575 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.304 2.252 6.356 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.937 4.041 7.642 1.00 0.00 N ATOM 0 H ARG A 69 12.179 5.712 3.885 1.00 0.00 H new ATOM 0 HA ARG A 69 13.647 4.078 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.994 6.783 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.080 6.237 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.570 4.761 3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.944 5.804 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.252 3.190 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.655 3.530 3.813 1.00 0.00 H new ATOM 0 HE ARG A 69 16.762 5.391 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.833 1.875 5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.770 1.623 7.010 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.955 5.046 7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.400 3.405 8.291 1.00 0.00 H new ATOM 1089 N LYS A 70 12.059 6.816 6.686 1.00 0.00 N ATOM 1090 CA LYS A 70 11.627 7.584 7.844 1.00 0.00 C ATOM 1091 C LYS A 70 10.140 7.894 7.770 1.00 0.00 C ATOM 1092 O LYS A 70 9.583 8.112 6.697 1.00 0.00 O ATOM 1093 CB LYS A 70 12.425 8.892 7.975 1.00 0.00 C ATOM 1094 CG LYS A 70 12.356 9.807 6.759 1.00 0.00 C ATOM 1095 CD LYS A 70 13.372 9.411 5.704 1.00 0.00 C ATOM 1096 CE LYS A 70 14.801 9.578 6.205 1.00 0.00 C ATOM 1097 NZ LYS A 70 15.110 10.988 6.568 1.00 0.00 N ATOM 0 H LYS A 70 11.729 7.176 5.791 1.00 0.00 H new ATOM 0 HA LYS A 70 11.815 6.972 8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.060 9.438 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.469 8.646 8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.354 9.770 6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.534 10.837 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.208 8.374 5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.226 10.020 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.956 8.939 7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.495 9.243 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.137 11.098 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.782 11.621 5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.628 11.231 7.457 1.00 0.00 H new ATOM 1111 N LEU A 71 9.511 7.915 8.931 1.00 0.00 N ATOM 1112 CA LEU A 71 8.085 8.191 9.034 1.00 0.00 C ATOM 1113 C LEU A 71 7.800 9.655 8.737 1.00 0.00 C ATOM 1114 O LEU A 71 6.873 9.974 7.995 1.00 0.00 O ATOM 1115 CB LEU A 71 7.587 7.820 10.439 1.00 0.00 C ATOM 1116 CG LEU A 71 6.080 7.957 10.672 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.311 6.932 9.852 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.762 7.809 12.152 1.00 0.00 C ATOM 0 H LEU A 71 9.969 7.743 9.826 1.00 0.00 H new ATOM 0 HA LEU A 71 7.554 7.588 8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.875 6.789 10.645 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.106 8.447 11.165 1.00 0.00 H new ATOM 0 HG LEU A 71 5.769 8.950 10.347 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.243 7.048 10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.518 7.084 8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.621 5.928 10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.687 7.908 12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.089 6.828 12.498 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.282 8.584 12.715 1.00 0.00 H new ATOM 1130 N TYR A 72 8.626 10.538 9.277 1.00 0.00 N ATOM 1131 CA TYR A 72 8.422 11.964 9.098 1.00 0.00 C ATOM 1132 C TYR A 72 9.759 12.676 8.959 1.00 0.00 C ATOM 1133 O TYR A 72 10.815 12.114 9.263 1.00 0.00 O ATOM 1134 CB TYR A 72 7.629 12.549 10.278 1.00 0.00 C ATOM 1135 CG TYR A 72 8.455 12.850 11.513 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.824 11.845 12.399 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.863 14.151 11.789 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.576 12.131 13.526 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.612 14.442 12.911 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.966 13.431 13.776 1.00 0.00 C ATOM 1141 OH TYR A 72 10.712 13.724 14.895 1.00 0.00 O ATOM 0 H TYR A 72 9.440 10.292 9.840 1.00 0.00 H new ATOM 0 HA TYR A 72 7.847 12.117 8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.143 13.468 9.951 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.838 11.849 10.549 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.520 10.827 12.206 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.589 14.948 11.113 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.856 11.340 14.206 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.919 15.458 13.110 1.00 0.00 H new ATOM 0 HH TYR A 72 10.902 14.685 14.919 1.00 0.00 H new ATOM 1151 N ASP A 73 9.698 13.900 8.476 1.00 0.00 N ATOM 1152 CA ASP A 73 10.875 14.740 8.312 1.00 0.00 C ATOM 1153 C ASP A 73 10.427 16.193 8.273 1.00 0.00 C ATOM 1154 O ASP A 73 9.231 16.464 8.269 1.00 0.00 O ATOM 1155 CB ASP A 73 11.616 14.361 7.024 1.00 0.00 C ATOM 1156 CG ASP A 73 12.989 14.992 6.910 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.844 14.721 7.783 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.226 15.734 5.943 1.00 0.00 O ATOM 0 H ASP A 73 8.828 14.346 8.184 1.00 0.00 H new ATOM 0 HA ASP A 73 11.562 14.595 9.146 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.718 13.277 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.014 14.661 6.166 1.00 0.00 H new ATOM 1163 N TYR A 74 11.367 17.116 8.253 1.00 0.00 N ATOM 1164 CA TYR A 74 11.038 18.536 8.226 1.00 0.00 C ATOM 1165 C TYR A 74 11.005 19.037 6.797 1.00 0.00 C ATOM 1166 O TYR A 74 11.591 18.427 5.916 1.00 0.00 O ATOM 1167 CB TYR A 74 12.071 19.348 9.004 1.00 0.00 C ATOM 1168 CG TYR A 74 12.010 19.165 10.506 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.640 18.089 11.116 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.332 20.074 11.316 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.600 17.924 12.486 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.288 19.911 12.685 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.923 18.837 13.265 1.00 0.00 C ATOM 1174 OH TYR A 74 11.899 18.684 14.633 1.00 0.00 O ATOM 0 H TYR A 74 12.367 16.913 8.255 1.00 0.00 H new ATOM 0 HA TYR A 74 10.059 18.660 8.688 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.067 19.073 8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.933 20.404 8.773 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.170 17.370 10.509 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.833 20.919 10.865 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.097 17.083 12.945 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.757 20.623 13.299 1.00 0.00 H new ATOM 0 HH TYR A 74 11.507 19.482 15.045 1.00 0.00 H new ATOM 1184 N CYS A 75 10.319 20.143 6.573 1.00 0.00 N ATOM 1185 CA CYS A 75 10.285 20.760 5.258 1.00 0.00 C ATOM 1186 C CYS A 75 11.133 22.016 5.255 1.00 0.00 C ATOM 1187 O CYS A 75 11.577 22.475 6.307 1.00 0.00 O ATOM 1188 CB CYS A 75 8.854 21.091 4.862 1.00 0.00 C ATOM 1189 SG CYS A 75 7.803 19.631 4.662 1.00 0.00 S ATOM 0 H CYS A 75 9.777 20.633 7.285 1.00 0.00 H new ATOM 0 HA CYS A 75 10.690 20.056 4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.417 21.742 5.619 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.865 21.652 3.927 1.00 0.00 H new ATOM 1194 N ASP A 76 11.341 22.585 4.083 1.00 0.00 N ATOM 1195 CA ASP A 76 12.189 23.758 3.966 1.00 0.00 C ATOM 1196 C ASP A 76 11.411 24.900 3.340 1.00 0.00 C ATOM 1197 O ASP A 76 11.639 25.274 2.192 1.00 0.00 O ATOM 1198 CB ASP A 76 13.447 23.448 3.150 1.00 0.00 C ATOM 1199 CG ASP A 76 14.459 24.577 3.199 1.00 0.00 C ATOM 1200 OD1 ASP A 76 15.143 24.722 4.241 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.575 25.329 2.207 1.00 0.00 O ATOM 0 H ASP A 76 10.939 22.258 3.204 1.00 0.00 H new ATOM 0 HA ASP A 76 12.507 24.055 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.907 22.535 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.167 23.259 2.114 1.00 0.00 H new ATOM 1206 N VAL A 77 10.454 25.417 4.090 1.00 0.00 N ATOM 1207 CA VAL A 77 9.690 26.572 3.662 1.00 0.00 C ATOM 1208 C VAL A 77 10.142 27.807 4.434 1.00 0.00 C ATOM 1209 O VAL A 77 10.297 27.767 5.653 1.00 0.00 O ATOM 1210 CB VAL A 77 8.171 26.335 3.827 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.837 25.810 5.204 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.382 27.594 3.543 1.00 0.00 C ATOM 0 H VAL A 77 10.187 25.051 5.004 1.00 0.00 H new ATOM 0 HA VAL A 77 9.876 26.736 2.601 1.00 0.00 H new ATOM 0 HB VAL A 77 7.887 25.578 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.761 25.655 5.283 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.353 24.864 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.156 26.532 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.318 27.393 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.687 28.378 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.572 27.919 2.520 1.00 0.00 H new ATOM 1222 N PRO A 78 10.378 28.910 3.712 1.00 0.00 N ATOM 1223 CA PRO A 78 10.933 30.147 4.275 1.00 0.00 C ATOM 1224 C PRO A 78 10.013 30.820 5.266 1.00 0.00 C ATOM 1225 O PRO A 78 8.810 30.557 5.319 1.00 0.00 O ATOM 1226 CB PRO A 78 11.112 31.042 3.044 1.00 0.00 C ATOM 1227 CG PRO A 78 10.116 30.524 2.069 1.00 0.00 C ATOM 1228 CD PRO A 78 10.120 29.040 2.270 1.00 0.00 C ATOM 0 HA PRO A 78 11.848 29.950 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.928 32.089 3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.126 30.978 2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.127 30.945 2.252 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.390 30.786 1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.168 28.590 1.987 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.892 28.553 1.675 1.00 0.00 H new ATOM 1236 N GLN A 79 10.604 31.697 6.046 1.00 0.00 N ATOM 1237 CA GLN A 79 9.886 32.433 7.046 1.00 0.00 C ATOM 1238 C GLN A 79 9.060 33.535 6.397 1.00 0.00 C ATOM 1239 O GLN A 79 9.593 34.518 5.886 1.00 0.00 O ATOM 1240 CB GLN A 79 10.858 33.006 8.076 1.00 0.00 C ATOM 1241 CG GLN A 79 10.166 33.772 9.171 1.00 0.00 C ATOM 1242 CD GLN A 79 9.177 32.912 9.916 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.134 33.398 10.332 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.497 31.628 10.082 1.00 0.00 N ATOM 0 H GLN A 79 11.599 31.916 6.000 1.00 0.00 H new ATOM 0 HA GLN A 79 9.202 31.759 7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.434 32.192 8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.568 33.663 7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.908 34.160 9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.650 34.632 8.743 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.380 31.271 9.716 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.859 31.003 10.575 1.00 0.00 H new ATOM 1253 N CYS A 80 7.757 33.338 6.406 1.00 0.00 N ATOM 1254 CA CYS A 80 6.816 34.283 5.845 1.00 0.00 C ATOM 1255 C CYS A 80 6.714 35.489 6.756 1.00 0.00 C ATOM 1256 O CYS A 80 6.612 36.627 6.303 1.00 0.00 O ATOM 1257 CB CYS A 80 5.445 33.626 5.703 1.00 0.00 C ATOM 1258 SG CYS A 80 4.538 34.078 4.193 1.00 0.00 S ATOM 0 H CYS A 80 7.319 32.509 6.807 1.00 0.00 H new ATOM 0 HA CYS A 80 7.162 34.599 4.861 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.572 32.544 5.724 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.838 33.892 6.568 1.00 0.00 H new ATOM 1263 N ALA A 81 6.757 35.226 8.057 1.00 0.00 N ATOM 1264 CA ALA A 81 6.728 36.294 9.048 1.00 0.00 C ATOM 1265 C ALA A 81 8.127 36.860 9.252 1.00 0.00 C ATOM 1266 O ALA A 81 8.623 36.944 10.376 1.00 0.00 O ATOM 1267 CB ALA A 81 6.151 35.791 10.362 1.00 0.00 C ATOM 0 H ALA A 81 6.812 34.286 8.449 1.00 0.00 H new ATOM 0 HA ALA A 81 6.083 37.092 8.681 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.138 36.604 11.088 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.134 35.433 10.200 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.767 34.975 10.741 1.00 0.00 H new