USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 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 37 THR OG1 : rot -140:sc= 0.387 USER MOD Set 1.2: A 40 THR OG1 : rot 82:sc= 1.66 USER MOD Set 1.3: A 41 ASN : amide:sc= -1.77! C(o=0.28!,f=-2.7!) USER MOD Set 2.1: A 28 GLN : amide:sc= -1.46 K(o=-1.5,f=-8.5!) USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 23 GLN : amide:sc= -0.62 K(o=-6.4,f=-17!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -2.18 K(o=-6.4,f=-9!) USER MOD Set 3.3: A 33 HIS : no HD1:sc= -3.59 K(o=-6.4,f=-11!) USER MOD Set 4.1: A 16 THR OG1 : rot 168:sc= 1 USER MOD Set 4.2: A 18 THR OG1 : rot -26:sc= 1.35 USER MOD Set 4.3: A 20 THR OG1 : rot 88:sc= 1.25 USER MOD Set 4.4: A 67 ASN : amide:sc= -0.106 K(o=3.5,f=-7.2!) USER MOD Set 5.1: A 2 MET CE :methyl 153:sc= 0 (180deg=-0.849) USER MOD Set 5.2: A 79 GLN : amide:sc= -0.148 K(o=-0.15,f=-13!) USER MOD Single : A 1 CYS N :NH3+ -126:sc= 1.04 (180deg=0.218) USER MOD Single : A 5 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.3) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -130:sc= -0.452 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00626) USER MOD Single : A 49 ASN : amide:sc= 1.05 K(o=1.1,f=-3.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.262 K(o=-0.26,f=-10!) USER MOD Single : A 64 TYR OH : rot 100:sc= -0.819 USER MOD Single : A 65 THR OG1 : rot -97:sc= -0.751! USER MOD Single : A 66 THR OG1 : rot -70:sc= 0.458 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= 0.922 (180deg=0.461) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N CYS A 1 4.993 30.140 2.702 1.00 0.00 N ATOM 51 CA CYS A 1 6.057 30.403 3.649 1.00 0.00 C ATOM 52 C CYS A 1 5.516 30.254 5.068 1.00 0.00 C ATOM 53 O CYS A 1 4.315 30.406 5.302 1.00 0.00 O ATOM 54 CB CYS A 1 6.627 31.810 3.428 1.00 0.00 C ATOM 55 SG CYS A 1 5.464 32.976 2.626 1.00 0.00 S ATOM 0 H1 CYS A 1 5.298 29.404 2.033 1.00 0.00 H new ATOM 0 H2 CYS A 1 4.147 29.815 3.212 1.00 0.00 H new ATOM 0 H3 CYS A 1 4.769 31.011 2.180 1.00 0.00 H new ATOM 0 HA CYS A 1 6.864 29.686 3.500 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.930 32.222 4.391 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.526 31.733 2.816 1.00 0.00 H new ATOM 60 N MET A 2 6.394 29.958 6.013 1.00 0.00 N ATOM 61 CA MET A 2 5.968 29.732 7.399 1.00 0.00 C ATOM 62 C MET A 2 6.132 30.962 8.263 1.00 0.00 C ATOM 63 O MET A 2 7.009 31.775 8.046 1.00 0.00 O ATOM 64 CB MET A 2 6.746 28.591 8.050 1.00 0.00 C ATOM 65 CG MET A 2 8.254 28.735 7.911 1.00 0.00 C ATOM 66 SD MET A 2 9.159 27.825 9.171 1.00 0.00 S ATOM 67 CE MET A 2 10.851 28.149 8.677 1.00 0.00 C ATOM 0 H MET A 2 7.398 29.868 5.856 1.00 0.00 H new ATOM 0 HA MET A 2 4.910 29.476 7.337 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.489 28.542 9.108 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.435 27.647 7.603 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.559 28.383 6.925 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.521 29.790 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.502 28.091 9.549 1.00 0.00 H new ATOM 0 HE2 MET A 2 11.163 27.408 7.941 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.918 29.145 8.240 1.00 0.00 H new ATOM 77 N PHE A 3 5.279 31.063 9.262 1.00 0.00 N ATOM 78 CA PHE A 3 5.325 32.149 10.213 1.00 0.00 C ATOM 79 C PHE A 3 5.793 31.580 11.535 1.00 0.00 C ATOM 80 O PHE A 3 5.031 30.899 12.217 1.00 0.00 O ATOM 81 CB PHE A 3 3.937 32.782 10.368 1.00 0.00 C ATOM 82 CG PHE A 3 3.359 33.313 9.083 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.715 32.467 8.195 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.457 34.658 8.764 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.184 32.950 7.014 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.928 35.148 7.586 1.00 0.00 C ATOM 87 CZ PHE A 3 2.290 34.292 6.711 1.00 0.00 C ATOM 0 H PHE A 3 4.532 30.390 9.436 1.00 0.00 H new ATOM 0 HA PHE A 3 6.007 32.926 9.869 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.255 32.040 10.782 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.999 33.596 11.090 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.627 31.416 8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.954 35.332 9.446 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.687 32.278 6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 3 3.013 36.198 7.350 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.874 34.672 5.790 1.00 0.00 H new ATOM 97 N GLY A 4 7.053 31.790 11.865 1.00 0.00 N ATOM 98 CA GLY A 4 7.587 31.205 13.054 1.00 0.00 C ATOM 99 C GLY A 4 7.911 29.751 12.842 1.00 0.00 C ATOM 100 O GLY A 4 8.737 29.408 11.991 1.00 0.00 O ATOM 0 H GLY A 4 7.709 32.356 11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.487 31.741 13.355 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.869 31.306 13.867 1.00 0.00 H new ATOM 104 N ASN A 5 7.193 28.913 13.570 1.00 0.00 N ATOM 105 CA ASN A 5 7.390 27.473 13.559 1.00 0.00 C ATOM 106 C ASN A 5 6.714 26.879 12.346 1.00 0.00 C ATOM 107 O ASN A 5 7.063 25.803 11.886 1.00 0.00 O ATOM 108 CB ASN A 5 6.767 26.857 14.811 1.00 0.00 C ATOM 109 CG ASN A 5 7.399 27.353 16.092 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.590 27.661 16.144 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.595 27.439 17.136 1.00 0.00 N ATOM 0 H ASN A 5 6.446 29.218 14.194 1.00 0.00 H new ATOM 0 HA ASN A 5 8.459 27.263 13.533 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.701 27.082 14.828 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.863 25.772 14.762 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.955 27.771 18.031 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.614 27.173 17.048 1.00 0.00 H new ATOM 118 N GLY A 6 5.723 27.587 11.839 1.00 0.00 N ATOM 119 CA GLY A 6 4.928 27.057 10.762 1.00 0.00 C ATOM 120 C GLY A 6 3.547 26.687 11.242 1.00 0.00 C ATOM 121 O GLY A 6 2.821 25.940 10.584 1.00 0.00 O ATOM 0 H GLY A 6 5.456 28.519 12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.854 27.794 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.418 26.179 10.341 1.00 0.00 H new ATOM 125 N LYS A 7 3.190 27.222 12.399 1.00 0.00 N ATOM 126 CA LYS A 7 1.876 27.006 12.976 1.00 0.00 C ATOM 127 C LYS A 7 0.807 27.663 12.107 1.00 0.00 C ATOM 128 O LYS A 7 -0.262 27.100 11.892 1.00 0.00 O ATOM 129 CB LYS A 7 1.848 27.560 14.398 1.00 0.00 C ATOM 130 CG LYS A 7 2.694 26.757 15.366 1.00 0.00 C ATOM 131 CD LYS A 7 2.704 27.366 16.759 1.00 0.00 C ATOM 132 CE LYS A 7 1.342 27.278 17.428 1.00 0.00 C ATOM 133 NZ LYS A 7 1.372 27.835 18.806 1.00 0.00 N ATOM 0 H LYS A 7 3.801 27.815 12.961 1.00 0.00 H new ATOM 0 HA LYS A 7 1.664 25.938 13.016 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.200 28.592 14.387 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.818 27.579 14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.313 25.737 15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.715 26.697 14.990 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.444 26.853 17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.010 28.410 16.696 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.608 27.820 16.832 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.020 26.237 17.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.426 27.759 19.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.055 27.302 19.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.656 28.835 18.770 1.00 0.00 H new ATOM 147 N GLY A 8 1.118 28.850 11.600 1.00 0.00 N ATOM 148 CA GLY A 8 0.266 29.502 10.640 1.00 0.00 C ATOM 149 C GLY A 8 0.858 29.434 9.247 1.00 0.00 C ATOM 150 O GLY A 8 0.535 30.244 8.382 1.00 0.00 O ATOM 0 H GLY A 8 1.958 29.374 11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.717 29.031 10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.122 30.544 10.926 1.00 0.00 H new ATOM 154 N TYR A 9 1.763 28.481 9.043 1.00 0.00 N ATOM 155 CA TYR A 9 2.268 28.163 7.717 1.00 0.00 C ATOM 156 C TYR A 9 1.135 27.605 6.873 1.00 0.00 C ATOM 157 O TYR A 9 0.715 26.474 7.081 1.00 0.00 O ATOM 158 CB TYR A 9 3.390 27.128 7.833 1.00 0.00 C ATOM 159 CG TYR A 9 3.807 26.496 6.522 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.837 27.224 5.340 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.141 25.153 6.470 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.190 26.629 4.147 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.488 24.553 5.280 1.00 0.00 C ATOM 164 CZ TYR A 9 4.508 25.291 4.122 1.00 0.00 C ATOM 165 OH TYR A 9 4.826 24.684 2.932 1.00 0.00 O ATOM 0 H TYR A 9 2.163 27.912 9.789 1.00 0.00 H new ATOM 0 HA TYR A 9 2.661 29.063 7.245 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.260 27.605 8.284 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.070 26.340 8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.580 28.273 5.355 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.129 24.567 7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.217 27.210 3.237 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.744 23.504 5.257 1.00 0.00 H new ATOM 0 HH TYR A 9 4.300 23.863 2.833 1.00 0.00 H new ATOM 175 N ARG A 10 0.619 28.398 5.949 1.00 0.00 N ATOM 176 CA ARG A 10 -0.515 27.973 5.135 1.00 0.00 C ATOM 177 C ARG A 10 -0.072 27.816 3.686 1.00 0.00 C ATOM 178 O ARG A 10 -0.825 28.099 2.754 1.00 0.00 O ATOM 179 CB ARG A 10 -1.657 28.991 5.228 1.00 0.00 C ATOM 180 CG ARG A 10 -1.755 29.706 6.574 1.00 0.00 C ATOM 181 CD ARG A 10 -2.406 28.876 7.679 1.00 0.00 C ATOM 182 NE ARG A 10 -1.663 27.667 8.005 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.852 26.971 9.120 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.898 27.225 9.898 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.016 25.993 9.431 1.00 0.00 N ATOM 0 H ARG A 10 0.963 29.336 5.742 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.878 27.015 5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.528 29.736 4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.600 28.480 5.032 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.753 29.994 6.894 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.324 30.626 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.501 29.488 8.576 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.415 28.602 7.371 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.961 27.338 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.560 27.957 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.040 26.688 10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.232 25.777 8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.156 25.455 10.286 1.00 0.00 H new ATOM 199 N GLY A 11 1.159 27.352 3.516 1.00 0.00 N ATOM 200 CA GLY A 11 1.751 27.255 2.197 1.00 0.00 C ATOM 201 C GLY A 11 1.452 25.940 1.510 1.00 0.00 C ATOM 202 O GLY A 11 0.465 25.270 1.832 1.00 0.00 O ATOM 0 H GLY A 11 1.763 27.038 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.383 28.074 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.831 27.378 2.279 1.00 0.00 H new ATOM 206 N LYS A 12 2.332 25.541 0.600 1.00 0.00 N ATOM 207 CA LYS A 12 2.045 24.443 -0.301 1.00 0.00 C ATOM 208 C LYS A 12 3.325 23.721 -0.693 1.00 0.00 C ATOM 209 O LYS A 12 3.385 23.056 -1.729 1.00 0.00 O ATOM 210 CB LYS A 12 1.309 24.975 -1.539 1.00 0.00 C ATOM 211 CG LYS A 12 2.022 26.119 -2.243 1.00 0.00 C ATOM 212 CD LYS A 12 1.062 27.248 -2.596 1.00 0.00 C ATOM 213 CE LYS A 12 -0.087 26.771 -3.470 1.00 0.00 C ATOM 214 NZ LYS A 12 -1.005 27.882 -3.829 1.00 0.00 N ATOM 0 H LYS A 12 3.250 25.965 0.470 1.00 0.00 H new ATOM 0 HA LYS A 12 1.403 23.722 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.172 24.157 -2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.315 25.309 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.816 26.503 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.497 25.748 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.663 27.684 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.607 28.038 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.311 26.320 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.644 25.994 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.775 27.517 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.404 28.296 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.479 28.612 -4.351 1.00 0.00 H new ATOM 228 N ARG A 13 4.357 23.864 0.133 1.00 0.00 N ATOM 229 CA ARG A 13 5.564 23.081 -0.040 1.00 0.00 C ATOM 230 C ARG A 13 5.225 21.636 0.282 1.00 0.00 C ATOM 231 O ARG A 13 4.500 21.374 1.235 1.00 0.00 O ATOM 232 CB ARG A 13 6.680 23.577 0.878 1.00 0.00 C ATOM 233 CG ARG A 13 7.007 25.057 0.732 1.00 0.00 C ATOM 234 CD ARG A 13 7.687 25.372 -0.591 1.00 0.00 C ATOM 235 NE ARG A 13 8.023 26.796 -0.703 1.00 0.00 N ATOM 236 CZ ARG A 13 9.059 27.266 -1.397 1.00 0.00 C ATOM 237 NH1 ARG A 13 9.868 26.430 -2.033 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.286 28.575 -1.452 1.00 0.00 N ATOM 0 H ARG A 13 4.377 24.511 0.921 1.00 0.00 H new ATOM 0 HA ARG A 13 5.922 23.176 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.397 23.381 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.581 22.997 0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.089 25.639 0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.654 25.366 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.594 24.776 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.032 25.087 -1.414 1.00 0.00 H new ATOM 0 HE ARG A 13 7.427 27.468 -0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.698 25.425 -1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.660 26.792 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.667 29.221 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.079 28.933 -1.984 1.00 0.00 H new ATOM 252 N VAL A 14 5.725 20.711 -0.513 1.00 0.00 N ATOM 253 CA VAL A 14 5.312 19.312 -0.409 1.00 0.00 C ATOM 254 C VAL A 14 6.502 18.369 -0.481 1.00 0.00 C ATOM 255 O VAL A 14 6.433 17.290 -1.071 1.00 0.00 O ATOM 256 CB VAL A 14 4.302 18.958 -1.514 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.916 19.450 -1.137 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.732 19.569 -2.838 1.00 0.00 C ATOM 0 H VAL A 14 6.417 20.895 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 14 4.837 19.189 0.564 1.00 0.00 H new ATOM 0 HB VAL A 14 4.272 17.874 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.211 19.193 -1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.604 18.979 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.937 20.532 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.008 19.310 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.784 20.653 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.713 19.182 -3.116 1.00 0.00 H new ATOM 268 N THR A 15 7.586 18.783 0.136 1.00 0.00 N ATOM 269 CA THR A 15 8.818 18.040 0.125 1.00 0.00 C ATOM 270 C THR A 15 9.581 18.334 1.399 1.00 0.00 C ATOM 271 O THR A 15 9.535 19.456 1.911 1.00 0.00 O ATOM 272 CB THR A 15 9.683 18.439 -1.072 1.00 0.00 C ATOM 273 OG1 THR A 15 9.253 19.704 -1.600 1.00 0.00 O ATOM 274 CG2 THR A 15 9.632 17.383 -2.149 1.00 0.00 C ATOM 0 H THR A 15 7.634 19.654 0.664 1.00 0.00 H new ATOM 0 HA THR A 15 8.585 16.978 0.052 1.00 0.00 H new ATOM 0 HB THR A 15 10.714 18.531 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.816 19.948 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.255 17.690 -2.989 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.001 16.438 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.603 17.257 -2.487 1.00 0.00 H new ATOM 282 N THR A 16 10.274 17.339 1.899 1.00 0.00 N ATOM 283 CA THR A 16 11.043 17.483 3.113 1.00 0.00 C ATOM 284 C THR A 16 12.311 18.292 2.865 1.00 0.00 C ATOM 285 O THR A 16 12.526 18.800 1.760 1.00 0.00 O ATOM 286 CB THR A 16 11.422 16.105 3.656 1.00 0.00 C ATOM 287 OG1 THR A 16 12.156 15.388 2.657 1.00 0.00 O ATOM 288 CG2 THR A 16 10.179 15.324 4.033 1.00 0.00 C ATOM 0 H THR A 16 10.321 16.411 1.479 1.00 0.00 H new ATOM 0 HA THR A 16 10.428 18.012 3.841 1.00 0.00 H new ATOM 0 HB THR A 16 12.037 16.232 4.547 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.564 14.593 3.059 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.467 14.346 4.418 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.627 15.867 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.548 15.197 3.153 1.00 0.00 H new ATOM 296 N VAL A 17 13.160 18.389 3.876 1.00 0.00 N ATOM 297 CA VAL A 17 14.429 19.081 3.743 1.00 0.00 C ATOM 298 C VAL A 17 15.322 18.382 2.731 1.00 0.00 C ATOM 299 O VAL A 17 16.239 18.978 2.161 1.00 0.00 O ATOM 300 CB VAL A 17 15.183 19.190 5.079 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.560 20.256 5.967 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.226 17.847 5.794 1.00 0.00 C ATOM 0 H VAL A 17 12.991 17.995 4.801 1.00 0.00 H new ATOM 0 HA VAL A 17 14.192 20.088 3.400 1.00 0.00 H new ATOM 0 HB VAL A 17 16.209 19.487 4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.110 20.315 6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.602 21.221 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.521 19.998 6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.765 17.953 6.735 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.209 17.509 5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.735 17.116 5.165 1.00 0.00 H new ATOM 312 N THR A 18 15.011 17.124 2.493 1.00 0.00 N ATOM 313 CA THR A 18 15.779 16.294 1.593 1.00 0.00 C ATOM 314 C THR A 18 15.175 16.359 0.206 1.00 0.00 C ATOM 315 O THR A 18 15.780 15.929 -0.778 1.00 0.00 O ATOM 316 CB THR A 18 15.752 14.833 2.064 1.00 0.00 C ATOM 317 OG1 THR A 18 14.415 14.325 1.938 1.00 0.00 O ATOM 318 CG2 THR A 18 16.193 14.726 3.514 1.00 0.00 C ATOM 0 H THR A 18 14.216 16.649 2.920 1.00 0.00 H new ATOM 0 HA THR A 18 16.807 16.657 1.578 1.00 0.00 H new ATOM 0 HB THR A 18 16.438 14.252 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.777 15.067 1.988 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.166 13.682 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.209 15.109 3.615 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.521 15.310 4.143 1.00 0.00 H new ATOM 326 N GLY A 19 13.971 16.907 0.136 1.00 0.00 N ATOM 327 CA GLY A 19 13.249 16.907 -1.098 1.00 0.00 C ATOM 328 C GLY A 19 12.438 15.645 -1.262 1.00 0.00 C ATOM 329 O GLY A 19 11.937 15.366 -2.350 1.00 0.00 O ATOM 0 H GLY A 19 13.489 17.350 0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.588 17.773 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.947 17.003 -1.930 1.00 0.00 H new ATOM 333 N THR A 20 12.317 14.861 -0.192 1.00 0.00 N ATOM 334 CA THR A 20 11.449 13.704 -0.234 1.00 0.00 C ATOM 335 C THR A 20 10.000 14.156 -0.108 1.00 0.00 C ATOM 336 O THR A 20 9.633 14.798 0.873 1.00 0.00 O ATOM 337 CB THR A 20 11.786 12.699 0.879 1.00 0.00 C ATOM 338 OG1 THR A 20 13.141 12.242 0.730 1.00 0.00 O ATOM 339 CG2 THR A 20 10.838 11.511 0.838 1.00 0.00 C ATOM 0 H THR A 20 12.801 15.007 0.694 1.00 0.00 H new ATOM 0 HA THR A 20 11.600 13.199 -1.188 1.00 0.00 H new ATOM 0 HB THR A 20 11.674 13.200 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.745 12.849 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.095 10.813 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.814 11.858 0.976 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.924 11.010 -0.126 1.00 0.00 H new ATOM 347 N PRO A 21 9.176 13.872 -1.126 1.00 0.00 N ATOM 348 CA PRO A 21 7.757 14.238 -1.133 1.00 0.00 C ATOM 349 C PRO A 21 7.031 13.890 0.154 1.00 0.00 C ATOM 350 O PRO A 21 7.042 12.735 0.598 1.00 0.00 O ATOM 351 CB PRO A 21 7.201 13.382 -2.251 1.00 0.00 C ATOM 352 CG PRO A 21 8.320 13.273 -3.218 1.00 0.00 C ATOM 353 CD PRO A 21 9.564 13.184 -2.376 1.00 0.00 C ATOM 0 HA PRO A 21 7.630 15.314 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.893 12.402 -1.887 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.324 13.843 -2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.209 12.392 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.354 14.138 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.853 12.149 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.412 13.671 -2.857 1.00 0.00 H new ATOM 361 N CYS A 22 6.408 14.888 0.750 1.00 0.00 N ATOM 362 CA CYS A 22 5.554 14.663 1.902 1.00 0.00 C ATOM 363 C CYS A 22 4.360 13.795 1.531 1.00 0.00 C ATOM 364 O CYS A 22 3.784 13.922 0.446 1.00 0.00 O ATOM 365 CB CYS A 22 5.074 15.991 2.477 1.00 0.00 C ATOM 366 SG CYS A 22 6.434 17.071 3.008 1.00 0.00 S ATOM 0 H CYS A 22 6.477 15.862 0.456 1.00 0.00 H new ATOM 0 HA CYS A 22 6.140 14.141 2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.477 16.510 1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.419 15.797 3.327 1.00 0.00 H new ATOM 371 N GLN A 23 4.034 12.890 2.431 1.00 0.00 N ATOM 372 CA GLN A 23 2.853 12.060 2.333 1.00 0.00 C ATOM 373 C GLN A 23 1.638 12.907 2.578 1.00 0.00 C ATOM 374 O GLN A 23 1.737 14.003 3.132 1.00 0.00 O ATOM 375 CB GLN A 23 2.891 10.987 3.409 1.00 0.00 C ATOM 376 CG GLN A 23 1.897 9.858 3.221 1.00 0.00 C ATOM 377 CD GLN A 23 2.014 8.854 4.334 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.818 7.946 4.252 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.159 8.959 5.336 1.00 0.00 N ATOM 0 H GLN A 23 4.593 12.708 3.265 1.00 0.00 H new ATOM 0 HA GLN A 23 2.819 11.605 1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.895 10.565 3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.707 11.456 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.884 10.260 3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.073 9.368 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.501 9.738 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.157 8.261 6.080 1.00 0.00 H new ATOM 388 N ASP A 24 0.495 12.382 2.225 1.00 0.00 N ATOM 389 CA ASP A 24 -0.733 13.067 2.486 1.00 0.00 C ATOM 390 C ASP A 24 -1.035 12.883 3.946 1.00 0.00 C ATOM 391 O ASP A 24 -1.030 11.758 4.453 1.00 0.00 O ATOM 392 CB ASP A 24 -1.877 12.524 1.627 1.00 0.00 C ATOM 393 CG ASP A 24 -1.738 12.874 0.157 1.00 0.00 C ATOM 394 OD1 ASP A 24 -1.028 12.144 -0.574 1.00 0.00 O ATOM 395 OD2 ASP A 24 -2.356 13.862 -0.285 1.00 0.00 O ATOM 0 H ASP A 24 0.393 11.482 1.756 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.634 14.123 2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.920 11.440 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.822 12.919 2.000 1.00 0.00 H new ATOM 400 N TRP A 25 -1.235 13.987 4.634 1.00 0.00 N ATOM 401 CA TRP A 25 -1.638 13.954 6.027 1.00 0.00 C ATOM 402 C TRP A 25 -2.881 13.101 6.151 1.00 0.00 C ATOM 403 O TRP A 25 -3.111 12.438 7.159 1.00 0.00 O ATOM 404 CB TRP A 25 -1.932 15.364 6.529 1.00 0.00 C ATOM 405 CG TRP A 25 -0.853 16.340 6.206 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.745 17.085 5.079 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.268 16.682 7.022 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.377 17.859 5.140 1.00 0.00 N ATOM 409 CE2 TRP A 25 1.012 17.640 6.329 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.706 16.271 8.271 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.177 18.197 6.848 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.858 16.818 8.794 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.583 17.775 8.083 1.00 0.00 C ATOM 0 H TRP A 25 -1.125 14.925 4.250 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.831 13.534 6.628 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.869 15.710 6.092 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.076 15.335 7.609 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.443 17.068 4.255 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.692 18.500 4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.151 15.531 8.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.739 18.935 6.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.204 16.502 9.767 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.481 18.190 8.516 1.00 0.00 H new ATOM 424 N ALA A 26 -3.671 13.138 5.095 1.00 0.00 N ATOM 425 CA ALA A 26 -4.892 12.365 5.006 1.00 0.00 C ATOM 426 C ALA A 26 -4.637 10.891 4.684 1.00 0.00 C ATOM 427 O ALA A 26 -5.518 10.061 4.900 1.00 0.00 O ATOM 428 CB ALA A 26 -5.825 12.978 3.974 1.00 0.00 C ATOM 0 H ALA A 26 -3.482 13.709 4.271 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.362 12.396 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.740 12.389 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.069 13.999 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.335 12.986 3.000 1.00 0.00 H new ATOM 434 N ALA A 27 -3.446 10.533 4.187 1.00 0.00 N ATOM 435 CA ALA A 27 -3.224 9.180 3.759 1.00 0.00 C ATOM 436 C ALA A 27 -2.339 8.505 4.767 1.00 0.00 C ATOM 437 O ALA A 27 -1.532 9.150 5.399 1.00 0.00 O ATOM 438 CB ALA A 27 -2.591 9.151 2.379 1.00 0.00 C ATOM 0 H ALA A 27 -2.648 11.159 4.080 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.175 8.651 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.431 8.117 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.252 9.642 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.635 9.673 2.406 1.00 0.00 H new ATOM 444 N GLN A 28 -2.493 7.219 4.909 1.00 0.00 N ATOM 445 CA GLN A 28 -1.718 6.435 5.835 1.00 0.00 C ATOM 446 C GLN A 28 -0.685 5.726 5.007 1.00 0.00 C ATOM 447 O GLN A 28 -0.258 4.616 5.312 1.00 0.00 O ATOM 448 CB GLN A 28 -2.623 5.405 6.517 1.00 0.00 C ATOM 449 CG GLN A 28 -3.864 6.003 7.154 1.00 0.00 C ATOM 450 CD GLN A 28 -3.517 6.943 8.276 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.365 6.519 9.411 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.388 8.223 7.972 1.00 0.00 N ATOM 0 H GLN A 28 -3.172 6.675 4.377 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.263 7.054 6.608 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.927 4.660 5.782 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.050 4.882 7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.440 6.536 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.500 5.203 7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.524 8.535 7.010 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.153 8.899 8.699 1.00 0.00 H new ATOM 461 N GLU A 29 -0.320 6.374 3.920 1.00 0.00 N ATOM 462 CA GLU A 29 0.295 5.669 2.837 1.00 0.00 C ATOM 463 C GLU A 29 1.535 6.324 2.252 1.00 0.00 C ATOM 464 O GLU A 29 1.475 7.416 1.695 1.00 0.00 O ATOM 465 CB GLU A 29 -0.769 5.532 1.779 1.00 0.00 C ATOM 466 CG GLU A 29 -1.914 4.653 2.217 1.00 0.00 C ATOM 467 CD GLU A 29 -1.783 3.225 1.740 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.140 2.946 0.577 1.00 0.00 O ATOM 469 OE2 GLU A 29 -1.320 2.372 2.524 1.00 0.00 O ATOM 0 H GLU A 29 -0.440 7.376 3.772 1.00 0.00 H new ATOM 0 HA GLU A 29 0.661 4.715 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.152 6.520 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.325 5.119 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.975 4.662 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.848 5.070 1.842 1.00 0.00 H new ATOM 476 N PRO A 30 2.671 5.613 2.316 1.00 0.00 N ATOM 477 CA PRO A 30 2.748 4.286 2.922 1.00 0.00 C ATOM 478 C PRO A 30 3.177 4.329 4.389 1.00 0.00 C ATOM 479 O PRO A 30 3.902 3.457 4.864 1.00 0.00 O ATOM 480 CB PRO A 30 3.805 3.609 2.061 1.00 0.00 C ATOM 481 CG PRO A 30 4.735 4.710 1.647 1.00 0.00 C ATOM 482 CD PRO A 30 3.968 6.012 1.750 1.00 0.00 C ATOM 0 HA PRO A 30 1.786 3.773 2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.333 2.836 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.356 3.125 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.615 4.731 2.289 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.088 4.552 0.628 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.481 6.728 2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.850 6.485 0.775 1.00 0.00 H new ATOM 490 N HIS A 31 2.734 5.359 5.093 1.00 0.00 N ATOM 491 CA HIS A 31 3.006 5.511 6.510 1.00 0.00 C ATOM 492 C HIS A 31 1.686 5.715 7.219 1.00 0.00 C ATOM 493 O HIS A 31 1.031 6.758 7.064 1.00 0.00 O ATOM 494 CB HIS A 31 3.964 6.687 6.775 1.00 0.00 C ATOM 495 CG HIS A 31 5.314 6.505 6.150 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.518 6.578 4.795 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.525 6.233 6.694 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.788 6.355 4.529 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.427 6.146 5.661 1.00 0.00 N ATOM 0 H HIS A 31 2.175 6.114 4.695 1.00 0.00 H new ATOM 0 HA HIS A 31 3.500 4.616 6.888 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.516 7.605 6.394 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.084 6.814 7.851 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.741 6.108 7.745 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.232 6.345 3.545 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.424 5.952 5.755 1.00 0.00 H new ATOM 508 N ARG A 32 1.262 4.693 7.938 1.00 0.00 N ATOM 509 CA ARG A 32 -0.032 4.715 8.582 1.00 0.00 C ATOM 510 C ARG A 32 0.045 5.587 9.817 1.00 0.00 C ATOM 511 O ARG A 32 0.738 5.263 10.781 1.00 0.00 O ATOM 512 CB ARG A 32 -0.519 3.298 8.938 1.00 0.00 C ATOM 513 CG ARG A 32 -0.877 2.445 7.724 1.00 0.00 C ATOM 514 CD ARG A 32 0.360 1.904 7.023 1.00 0.00 C ATOM 515 NE ARG A 32 0.120 1.606 5.613 1.00 0.00 N ATOM 516 CZ ARG A 32 1.030 1.069 4.807 1.00 0.00 C ATOM 517 NH1 ARG A 32 2.194 0.673 5.301 1.00 0.00 N ATOM 518 NH2 ARG A 32 0.773 0.919 3.513 1.00 0.00 N ATOM 0 H ARG A 32 1.797 3.838 8.089 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.761 5.131 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.257 2.790 9.510 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.392 3.376 9.585 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.508 1.614 8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.460 3.041 7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.167 2.632 7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.694 0.999 7.530 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.798 1.822 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.389 0.781 6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.895 0.260 4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.126 1.216 3.134 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.475 0.506 2.898 1.00 0.00 H new ATOM 532 N HIS A 33 -0.654 6.703 9.780 1.00 0.00 N ATOM 533 CA HIS A 33 -0.540 7.693 10.834 1.00 0.00 C ATOM 534 C HIS A 33 -1.894 8.340 11.105 1.00 0.00 C ATOM 535 O HIS A 33 -2.300 9.298 10.452 1.00 0.00 O ATOM 536 CB HIS A 33 0.509 8.761 10.470 1.00 0.00 C ATOM 537 CG HIS A 33 0.096 9.624 9.322 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.068 10.978 9.416 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.268 9.296 8.081 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.520 11.454 8.280 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.644 10.455 7.447 1.00 0.00 N ATOM 0 H HIS A 33 -1.305 6.948 9.034 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.210 7.190 11.743 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.695 9.390 11.341 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.450 8.268 10.226 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.267 8.304 7.654 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.749 12.488 8.070 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.968 10.525 6.482 1.00 0.00 H new ATOM 550 N SER A 34 -2.611 7.789 12.040 1.00 0.00 N ATOM 551 CA SER A 34 -3.840 8.410 12.510 1.00 0.00 C ATOM 552 C SER A 34 -3.500 9.572 13.451 1.00 0.00 C ATOM 553 O SER A 34 -4.167 9.798 14.459 1.00 0.00 O ATOM 554 CB SER A 34 -4.714 7.372 13.216 1.00 0.00 C ATOM 555 OG SER A 34 -4.953 6.260 12.368 1.00 0.00 O ATOM 0 H SER A 34 -2.376 6.910 12.500 1.00 0.00 H new ATOM 0 HA SER A 34 -4.399 8.803 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.225 7.039 14.132 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.662 7.824 13.507 1.00 0.00 H new ATOM 0 HG SER A 34 -5.512 5.606 12.836 1.00 0.00 H new ATOM 561 N ILE A 35 -2.449 10.305 13.089 1.00 0.00 N ATOM 562 CA ILE A 35 -1.892 11.355 13.891 1.00 0.00 C ATOM 563 C ILE A 35 -1.447 12.444 12.953 1.00 0.00 C ATOM 564 O ILE A 35 -0.854 12.161 11.901 1.00 0.00 O ATOM 565 CB ILE A 35 -0.698 10.884 14.753 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.338 10.167 13.885 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.171 9.983 15.883 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.569 9.722 14.643 1.00 0.00 C ATOM 0 H ILE A 35 -1.960 10.170 12.204 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.652 11.705 14.590 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.227 11.762 15.196 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.128 9.296 13.425 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.642 10.831 13.076 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.314 9.664 16.476 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.868 10.530 16.517 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.670 9.108 15.466 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.256 9.222 13.960 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.061 10.591 15.081 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.279 9.032 15.435 1.00 0.00 H new ATOM 580 N PHE A 36 -1.755 13.664 13.317 1.00 0.00 N ATOM 581 CA PHE A 36 -1.497 14.805 12.486 1.00 0.00 C ATOM 582 C PHE A 36 -2.096 14.624 11.097 1.00 0.00 C ATOM 583 O PHE A 36 -1.442 14.808 10.070 1.00 0.00 O ATOM 584 CB PHE A 36 -0.005 15.114 12.464 1.00 0.00 C ATOM 585 CG PHE A 36 0.570 15.187 13.851 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.314 16.280 14.661 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.346 14.156 14.352 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.820 16.344 15.942 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.859 14.215 15.631 1.00 0.00 C ATOM 590 CZ PHE A 36 1.594 15.309 16.428 1.00 0.00 C ATOM 0 H PHE A 36 -2.196 13.891 14.208 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.995 15.677 12.911 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.517 14.345 11.894 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.163 16.061 11.951 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.290 17.093 14.285 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.552 13.295 13.734 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.611 17.202 16.564 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.467 13.406 16.008 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.991 15.356 17.431 1.00 0.00 H new ATOM 600 N THR A 37 -3.351 14.215 11.108 1.00 0.00 N ATOM 601 CA THR A 37 -4.179 14.173 9.920 1.00 0.00 C ATOM 602 C THR A 37 -5.082 15.400 9.898 1.00 0.00 C ATOM 603 O THR A 37 -5.096 16.177 10.859 1.00 0.00 O ATOM 604 CB THR A 37 -5.076 12.919 9.919 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.027 13.009 10.991 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.253 11.655 10.077 1.00 0.00 C ATOM 0 H THR A 37 -3.828 13.899 11.952 1.00 0.00 H new ATOM 0 HA THR A 37 -3.526 14.150 9.048 1.00 0.00 H new ATOM 0 HB THR A 37 -5.595 12.871 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.133 12.129 11.409 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.913 10.788 10.073 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.545 11.576 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.708 11.691 11.020 1.00 0.00 H new ATOM 614 N PRO A 38 -5.865 15.596 8.829 1.00 0.00 N ATOM 615 CA PRO A 38 -6.927 16.600 8.826 1.00 0.00 C ATOM 616 C PRO A 38 -8.017 16.257 9.842 1.00 0.00 C ATOM 617 O PRO A 38 -8.790 17.121 10.259 1.00 0.00 O ATOM 618 CB PRO A 38 -7.494 16.541 7.404 1.00 0.00 C ATOM 619 CG PRO A 38 -6.475 15.813 6.594 1.00 0.00 C ATOM 620 CD PRO A 38 -5.757 14.898 7.541 1.00 0.00 C ATOM 0 HA PRO A 38 -6.556 17.588 9.098 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.452 16.022 7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.666 17.542 7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.948 15.248 5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.780 16.510 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.220 13.912 7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.717 14.751 7.249 1.00 0.00 H new ATOM 628 N GLU A 39 -8.050 14.991 10.261 1.00 0.00 N ATOM 629 CA GLU A 39 -9.086 14.509 11.159 1.00 0.00 C ATOM 630 C GLU A 39 -8.729 14.836 12.601 1.00 0.00 C ATOM 631 O GLU A 39 -9.591 15.203 13.402 1.00 0.00 O ATOM 632 CB GLU A 39 -9.258 12.994 11.009 1.00 0.00 C ATOM 633 CG GLU A 39 -9.598 12.544 9.598 1.00 0.00 C ATOM 634 CD GLU A 39 -10.918 13.098 9.112 1.00 0.00 C ATOM 635 OE1 GLU A 39 -11.970 12.674 9.631 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.910 13.966 8.214 1.00 0.00 O ATOM 0 H GLU A 39 -7.367 14.284 9.989 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.022 15.004 10.899 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.338 12.502 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.045 12.660 11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.805 12.858 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.632 11.455 9.566 1.00 0.00 H new ATOM 643 N THR A 40 -7.451 14.705 12.919 1.00 0.00 N ATOM 644 CA THR A 40 -6.972 14.908 14.275 1.00 0.00 C ATOM 645 C THR A 40 -6.533 16.351 14.491 1.00 0.00 C ATOM 646 O THR A 40 -6.544 16.854 15.616 1.00 0.00 O ATOM 647 CB THR A 40 -5.792 13.966 14.585 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.774 14.111 13.583 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.253 12.518 14.637 1.00 0.00 C ATOM 0 H THR A 40 -6.722 14.457 12.250 1.00 0.00 H new ATOM 0 HA THR A 40 -7.798 14.684 14.949 1.00 0.00 H new ATOM 0 HB THR A 40 -5.387 14.237 15.560 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.221 14.893 13.790 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.402 11.873 14.857 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.006 12.404 15.416 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.681 12.238 13.675 1.00 0.00 H new ATOM 657 N ASN A 41 -6.154 17.019 13.405 1.00 0.00 N ATOM 658 CA ASN A 41 -5.642 18.380 13.492 1.00 0.00 C ATOM 659 C ASN A 41 -6.305 19.288 12.466 1.00 0.00 C ATOM 660 O ASN A 41 -5.663 19.765 11.538 1.00 0.00 O ATOM 661 CB ASN A 41 -4.124 18.389 13.302 1.00 0.00 C ATOM 662 CG ASN A 41 -3.410 17.621 14.388 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.253 16.401 14.310 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.970 18.334 15.406 1.00 0.00 N ATOM 0 H ASN A 41 -6.192 16.640 12.459 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.879 18.764 14.484 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.878 17.957 12.332 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.767 19.419 13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.476 17.877 16.173 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.124 19.342 15.427 1.00 0.00 H new ATOM 671 N PRO A 42 -7.600 19.567 12.635 1.00 0.00 N ATOM 672 CA PRO A 42 -8.338 20.450 11.730 1.00 0.00 C ATOM 673 C PRO A 42 -8.033 21.925 11.988 1.00 0.00 C ATOM 674 O PRO A 42 -8.710 22.812 11.471 1.00 0.00 O ATOM 675 CB PRO A 42 -9.797 20.138 12.060 1.00 0.00 C ATOM 676 CG PRO A 42 -9.780 19.722 13.490 1.00 0.00 C ATOM 677 CD PRO A 42 -8.454 19.041 13.715 1.00 0.00 C ATOM 0 HA PRO A 42 -8.076 20.285 10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.433 21.011 11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.187 19.345 11.421 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.891 20.584 14.147 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.607 19.046 13.708 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.046 19.276 14.698 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.547 17.956 13.659 1.00 0.00 H new ATOM 685 N ARG A 43 -6.996 22.181 12.776 1.00 0.00 N ATOM 686 CA ARG A 43 -6.675 23.530 13.197 1.00 0.00 C ATOM 687 C ARG A 43 -5.542 24.112 12.361 1.00 0.00 C ATOM 688 O ARG A 43 -5.469 25.322 12.169 1.00 0.00 O ATOM 689 CB ARG A 43 -6.287 23.522 14.673 1.00 0.00 C ATOM 690 CG ARG A 43 -5.000 22.765 14.952 1.00 0.00 C ATOM 691 CD ARG A 43 -4.851 22.447 16.425 1.00 0.00 C ATOM 692 NE ARG A 43 -3.516 21.939 16.745 1.00 0.00 N ATOM 693 CZ ARG A 43 -3.281 20.892 17.536 1.00 0.00 C ATOM 694 NH1 ARG A 43 -4.286 20.182 18.031 1.00 0.00 N ATOM 695 NH2 ARG A 43 -2.033 20.537 17.816 1.00 0.00 N ATOM 0 H ARG A 43 -6.364 21.466 13.135 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.554 24.158 13.052 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.178 24.550 15.018 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.096 23.076 15.252 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.989 21.840 14.376 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.148 23.358 14.619 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.047 23.345 17.011 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.599 21.708 16.714 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.713 22.417 16.336 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.248 20.435 17.807 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.097 19.382 18.635 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.253 21.065 17.426 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.854 19.736 18.421 1.00 0.00 H new ATOM 709 N ALA A 44 -4.674 23.246 11.840 1.00 0.00 N ATOM 710 CA ALA A 44 -3.472 23.712 11.170 1.00 0.00 C ATOM 711 C ALA A 44 -3.581 23.573 9.657 1.00 0.00 C ATOM 712 O ALA A 44 -2.614 23.786 8.929 1.00 0.00 O ATOM 713 CB ALA A 44 -2.250 22.977 11.702 1.00 0.00 C ATOM 0 H ALA A 44 -4.782 22.232 11.870 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.358 24.774 11.387 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.357 23.337 11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.153 23.159 12.772 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.363 21.907 11.525 1.00 0.00 H new ATOM 719 N GLY A 45 -4.769 23.200 9.201 1.00 0.00 N ATOM 720 CA GLY A 45 -5.050 23.151 7.779 1.00 0.00 C ATOM 721 C GLY A 45 -4.192 22.138 7.058 1.00 0.00 C ATOM 722 O GLY A 45 -3.619 22.432 6.013 1.00 0.00 O ATOM 0 H GLY A 45 -5.551 22.928 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.101 22.907 7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.886 24.137 7.345 1.00 0.00 H new ATOM 726 N LEU A 46 -4.096 20.949 7.632 1.00 0.00 N ATOM 727 CA LEU A 46 -3.293 19.881 7.058 1.00 0.00 C ATOM 728 C LEU A 46 -3.999 19.270 5.857 1.00 0.00 C ATOM 729 O LEU A 46 -4.606 18.205 5.949 1.00 0.00 O ATOM 730 CB LEU A 46 -3.001 18.800 8.104 1.00 0.00 C ATOM 731 CG LEU A 46 -2.166 19.261 9.304 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.022 19.977 10.322 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.460 18.085 9.946 1.00 0.00 C ATOM 0 H LEU A 46 -4.568 20.698 8.501 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.346 20.308 6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.949 18.407 8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.482 17.975 7.616 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.416 19.962 8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.402 20.292 11.161 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.481 20.852 9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.802 19.304 10.679 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.873 18.433 10.796 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.198 17.360 10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.800 17.615 9.217 1.00 0.00 H new ATOM 745 N GLU A 47 -3.922 19.962 4.734 1.00 0.00 N ATOM 746 CA GLU A 47 -4.572 19.533 3.522 1.00 0.00 C ATOM 747 C GLU A 47 -3.593 18.806 2.617 1.00 0.00 C ATOM 748 O GLU A 47 -2.431 19.203 2.499 1.00 0.00 O ATOM 749 CB GLU A 47 -5.166 20.742 2.804 1.00 0.00 C ATOM 750 CG GLU A 47 -4.238 21.947 2.755 1.00 0.00 C ATOM 751 CD GLU A 47 -4.880 23.145 2.096 1.00 0.00 C ATOM 752 OE1 GLU A 47 -4.800 23.262 0.855 1.00 0.00 O ATOM 753 OE2 GLU A 47 -5.477 23.975 2.817 1.00 0.00 O ATOM 0 H GLU A 47 -3.405 20.837 4.643 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.374 18.840 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.427 20.455 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.092 21.029 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.938 22.212 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.331 21.681 2.213 1.00 0.00 H new ATOM 760 N LYS A 48 -4.075 17.737 1.995 1.00 0.00 N ATOM 761 CA LYS A 48 -3.278 16.941 1.070 1.00 0.00 C ATOM 762 C LYS A 48 -1.951 16.520 1.683 1.00 0.00 C ATOM 763 O LYS A 48 -1.927 15.735 2.625 1.00 0.00 O ATOM 764 CB LYS A 48 -3.044 17.698 -0.236 1.00 0.00 C ATOM 765 CG LYS A 48 -4.303 17.848 -1.080 1.00 0.00 C ATOM 766 CD LYS A 48 -4.997 16.508 -1.283 1.00 0.00 C ATOM 767 CE LYS A 48 -6.276 16.646 -2.095 1.00 0.00 C ATOM 768 NZ LYS A 48 -6.005 16.956 -3.522 1.00 0.00 N ATOM 0 H LYS A 48 -5.029 17.398 2.118 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.845 16.035 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.648 18.688 -0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.284 17.177 -0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.987 18.544 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.045 18.277 -2.048 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.319 15.821 -1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.229 16.069 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.848 15.721 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.894 17.434 -1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.903 16.991 -4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.527 17.877 -3.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.395 16.218 -3.928 1.00 0.00 H new ATOM 782 N ASN A 49 -0.856 17.068 1.170 1.00 0.00 N ATOM 783 CA ASN A 49 0.467 16.724 1.659 1.00 0.00 C ATOM 784 C ASN A 49 1.333 17.968 1.800 1.00 0.00 C ATOM 785 O ASN A 49 2.550 17.875 1.951 1.00 0.00 O ATOM 786 CB ASN A 49 1.140 15.713 0.727 1.00 0.00 C ATOM 787 CG ASN A 49 1.449 16.258 -0.656 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.708 17.076 -1.205 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.555 15.804 -1.227 1.00 0.00 N ATOM 0 H ASN A 49 -0.862 17.753 0.414 1.00 0.00 H new ATOM 0 HA ASN A 49 0.355 16.270 2.643 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.067 15.371 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.494 14.841 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.821 16.131 -2.156 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.141 15.127 -0.738 1.00 0.00 H new ATOM 796 N TYR A 50 0.697 19.133 1.753 1.00 0.00 N ATOM 797 CA TYR A 50 1.419 20.396 1.920 1.00 0.00 C ATOM 798 C TYR A 50 1.945 20.486 3.340 1.00 0.00 C ATOM 799 O TYR A 50 1.187 20.302 4.288 1.00 0.00 O ATOM 800 CB TYR A 50 0.515 21.598 1.652 1.00 0.00 C ATOM 801 CG TYR A 50 -0.362 21.456 0.432 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.168 21.492 -0.849 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.727 21.283 0.573 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.645 21.360 -1.957 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.547 21.150 -0.523 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.003 21.190 -1.789 1.00 0.00 C ATOM 807 OH TYR A 50 -2.818 21.062 -2.890 1.00 0.00 O ATOM 0 H TYR A 50 -0.307 19.233 1.602 1.00 0.00 H new ATOM 0 HA TYR A 50 2.239 20.414 1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.119 21.763 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.136 22.486 1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.232 21.625 -0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.157 21.252 1.563 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.220 21.390 -2.949 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.611 21.015 -0.393 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.747 20.948 -2.598 1.00 0.00 H new ATOM 817 N CYS A 51 3.231 20.786 3.483 1.00 0.00 N ATOM 818 CA CYS A 51 3.888 20.772 4.780 1.00 0.00 C ATOM 819 C CYS A 51 3.140 21.618 5.799 1.00 0.00 C ATOM 820 O CYS A 51 2.454 22.579 5.441 1.00 0.00 O ATOM 821 CB CYS A 51 5.317 21.280 4.640 1.00 0.00 C ATOM 822 SG CYS A 51 6.333 20.291 3.511 1.00 0.00 S ATOM 0 H CYS A 51 3.842 21.044 2.708 1.00 0.00 H new ATOM 0 HA CYS A 51 3.894 19.743 5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.294 22.311 4.286 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.787 21.291 5.623 1.00 0.00 H new ATOM 827 N ARG A 52 3.288 21.264 7.068 1.00 0.00 N ATOM 828 CA ARG A 52 2.590 21.942 8.154 1.00 0.00 C ATOM 829 C ARG A 52 3.342 21.757 9.453 1.00 0.00 C ATOM 830 O ARG A 52 4.248 20.935 9.534 1.00 0.00 O ATOM 831 CB ARG A 52 1.161 21.406 8.324 1.00 0.00 C ATOM 832 CG ARG A 52 0.164 21.997 7.347 1.00 0.00 C ATOM 833 CD ARG A 52 0.301 23.507 7.307 1.00 0.00 C ATOM 834 NE ARG A 52 -0.805 24.157 6.619 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.887 24.303 5.291 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.084 23.846 4.503 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.941 24.903 4.746 1.00 0.00 N ATOM 0 H ARG A 52 3.893 20.502 7.374 1.00 0.00 H new ATOM 0 HA ARG A 52 2.539 23.001 7.900 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.173 20.323 8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.825 21.611 9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.330 21.583 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.850 21.724 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.363 23.888 8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.236 23.769 6.811 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.568 24.526 7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.896 23.382 4.911 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.016 23.960 3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.692 25.254 5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.999 25.012 3.733 1.00 0.00 H new ATOM 851 N ASN A 53 2.983 22.527 10.466 1.00 0.00 N ATOM 852 CA ASN A 53 3.521 22.286 11.792 1.00 0.00 C ATOM 853 C ASN A 53 2.385 22.192 12.805 1.00 0.00 C ATOM 854 O ASN A 53 2.112 23.148 13.528 1.00 0.00 O ATOM 855 CB ASN A 53 4.500 23.382 12.210 1.00 0.00 C ATOM 856 CG ASN A 53 5.454 22.898 13.284 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.213 21.874 13.926 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.517 23.648 13.517 1.00 0.00 N ATOM 0 H ASN A 53 2.333 23.310 10.398 1.00 0.00 H new ATOM 0 HA ASN A 53 4.066 21.343 11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.068 23.714 11.341 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.945 24.245 12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.175 23.386 14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.680 24.488 12.962 1.00 0.00 H new ATOM 865 N PRO A 54 1.700 21.037 12.865 1.00 0.00 N ATOM 866 CA PRO A 54 0.594 20.833 13.795 1.00 0.00 C ATOM 867 C PRO A 54 1.053 20.727 15.245 1.00 0.00 C ATOM 868 O PRO A 54 0.245 20.824 16.167 1.00 0.00 O ATOM 869 CB PRO A 54 -0.065 19.537 13.329 1.00 0.00 C ATOM 870 CG PRO A 54 0.963 18.825 12.523 1.00 0.00 C ATOM 871 CD PRO A 54 1.940 19.858 12.021 1.00 0.00 C ATOM 0 HA PRO A 54 -0.090 21.682 13.786 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.383 18.933 14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.955 19.743 12.734 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.474 18.076 13.128 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.499 18.298 11.689 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.968 19.508 12.112 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.772 20.084 10.968 1.00 0.00 H new ATOM 879 N ASP A 55 2.351 20.541 15.439 1.00 0.00 N ATOM 880 CA ASP A 55 2.931 20.563 16.774 1.00 0.00 C ATOM 881 C ASP A 55 3.405 21.963 17.093 1.00 0.00 C ATOM 882 O ASP A 55 3.551 22.343 18.255 1.00 0.00 O ATOM 883 CB ASP A 55 4.130 19.614 16.893 1.00 0.00 C ATOM 884 CG ASP A 55 3.749 18.154 16.892 1.00 0.00 C ATOM 885 OD1 ASP A 55 3.301 17.654 17.945 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.929 17.493 15.854 1.00 0.00 O ATOM 0 H ASP A 55 3.022 20.373 14.689 1.00 0.00 H new ATOM 0 HA ASP A 55 2.158 20.239 17.471 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.815 19.802 16.066 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.671 19.839 17.812 1.00 0.00 H new ATOM 891 N GLY A 56 3.626 22.726 16.028 1.00 0.00 N ATOM 892 CA GLY A 56 4.318 23.986 16.131 1.00 0.00 C ATOM 893 C GLY A 56 5.661 23.797 16.770 1.00 0.00 C ATOM 894 O GLY A 56 6.065 24.559 17.647 1.00 0.00 O ATOM 0 H GLY A 56 3.330 22.484 15.082 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.439 24.423 15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.725 24.687 16.719 1.00 0.00 H new ATOM 898 N ASP A 57 6.337 22.750 16.321 1.00 0.00 N ATOM 899 CA ASP A 57 7.663 22.422 16.798 1.00 0.00 C ATOM 900 C ASP A 57 8.585 23.602 16.579 1.00 0.00 C ATOM 901 O ASP A 57 8.518 24.250 15.531 1.00 0.00 O ATOM 902 CB ASP A 57 8.213 21.220 16.036 1.00 0.00 C ATOM 903 CG ASP A 57 9.346 20.538 16.770 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.480 21.055 16.733 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.103 19.480 17.388 1.00 0.00 O ATOM 0 H ASP A 57 5.978 22.107 15.616 1.00 0.00 H new ATOM 0 HA ASP A 57 7.605 22.184 17.860 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.410 20.503 15.867 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.562 21.544 15.056 1.00 0.00 H new ATOM 910 N VAL A 58 9.457 23.857 17.544 1.00 0.00 N ATOM 911 CA VAL A 58 10.393 24.974 17.467 1.00 0.00 C ATOM 912 C VAL A 58 11.524 24.647 16.485 1.00 0.00 C ATOM 913 O VAL A 58 12.550 25.326 16.420 1.00 0.00 O ATOM 914 CB VAL A 58 10.968 25.312 18.865 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.689 26.650 18.859 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.856 25.321 19.903 1.00 0.00 C ATOM 0 H VAL A 58 9.537 23.302 18.396 1.00 0.00 H new ATOM 0 HA VAL A 58 9.855 25.850 17.105 1.00 0.00 H new ATOM 0 HB VAL A 58 11.693 24.540 19.124 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.080 26.857 19.855 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.512 26.616 18.145 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.992 27.438 18.572 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.273 25.560 20.881 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.112 26.071 19.633 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.385 24.339 19.940 1.00 0.00 H new ATOM 926 N GLY A 59 11.312 23.599 15.705 1.00 0.00 N ATOM 927 CA GLY A 59 12.253 23.218 14.696 1.00 0.00 C ATOM 928 C GLY A 59 11.759 23.625 13.334 1.00 0.00 C ATOM 929 O GLY A 59 12.535 23.714 12.385 1.00 0.00 O ATOM 0 H GLY A 59 10.487 23.002 15.762 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.217 23.686 14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.410 22.140 14.725 1.00 0.00 H new ATOM 933 N GLY A 60 10.457 23.884 13.233 1.00 0.00 N ATOM 934 CA GLY A 60 9.908 24.323 11.975 1.00 0.00 C ATOM 935 C GLY A 60 8.887 23.349 11.453 1.00 0.00 C ATOM 936 O GLY A 60 8.599 22.346 12.108 1.00 0.00 O ATOM 0 H GLY A 60 9.784 23.797 13.995 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.448 25.303 12.099 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.710 24.437 11.246 1.00 0.00 H new ATOM 940 N PRO A 61 8.327 23.606 10.271 1.00 0.00 N ATOM 941 CA PRO A 61 7.270 22.787 9.721 1.00 0.00 C ATOM 942 C PRO A 61 7.815 21.499 9.148 1.00 0.00 C ATOM 943 O PRO A 61 8.965 21.418 8.712 1.00 0.00 O ATOM 944 CB PRO A 61 6.678 23.663 8.629 1.00 0.00 C ATOM 945 CG PRO A 61 7.832 24.448 8.150 1.00 0.00 C ATOM 946 CD PRO A 61 8.705 24.690 9.355 1.00 0.00 C ATOM 0 HA PRO A 61 6.538 22.484 10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.240 23.066 7.829 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.888 24.307 9.016 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.377 23.907 7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.506 25.390 7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.764 24.649 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.521 25.670 9.795 1.00 0.00 H new ATOM 954 N TRP A 62 6.973 20.508 9.133 1.00 0.00 N ATOM 955 CA TRP A 62 7.375 19.172 8.811 1.00 0.00 C ATOM 956 C TRP A 62 6.252 18.489 8.071 1.00 0.00 C ATOM 957 O TRP A 62 5.285 19.134 7.655 1.00 0.00 O ATOM 958 CB TRP A 62 7.696 18.418 10.105 1.00 0.00 C ATOM 959 CG TRP A 62 6.559 18.456 11.079 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.167 19.519 11.829 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.657 17.395 11.394 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.070 19.189 12.581 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.743 17.891 12.338 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.533 16.079 10.971 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.716 17.120 12.861 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.513 15.311 11.493 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.616 15.832 12.428 1.00 0.00 C ATOM 0 H TRP A 62 5.980 20.606 9.346 1.00 0.00 H new ATOM 0 HA TRP A 62 8.264 19.185 8.180 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.936 17.381 9.869 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.582 18.853 10.567 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.650 20.485 11.832 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.579 19.815 13.219 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.221 15.665 10.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.022 17.525 13.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.406 14.285 11.172 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.828 15.202 12.815 1.00 0.00 H new ATOM 978 N CYS A 63 6.393 17.202 7.908 1.00 0.00 N ATOM 979 CA CYS A 63 5.397 16.393 7.262 1.00 0.00 C ATOM 980 C CYS A 63 5.734 14.936 7.483 1.00 0.00 C ATOM 981 O CYS A 63 6.703 14.616 8.165 1.00 0.00 O ATOM 982 CB CYS A 63 5.335 16.720 5.772 1.00 0.00 C ATOM 983 SG CYS A 63 6.869 16.365 4.855 1.00 0.00 S ATOM 0 H CYS A 63 7.211 16.681 8.223 1.00 0.00 H new ATOM 0 HA CYS A 63 4.416 16.602 7.688 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.519 16.154 5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.093 17.776 5.655 1.00 0.00 H new ATOM 988 N TYR A 64 4.938 14.059 6.921 1.00 0.00 N ATOM 989 CA TYR A 64 5.270 12.652 6.901 1.00 0.00 C ATOM 990 C TYR A 64 5.807 12.357 5.532 1.00 0.00 C ATOM 991 O TYR A 64 5.377 12.978 4.574 1.00 0.00 O ATOM 992 CB TYR A 64 4.055 11.799 7.247 1.00 0.00 C ATOM 993 CG TYR A 64 3.725 11.861 8.717 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.484 11.156 9.637 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.677 12.637 9.189 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.209 11.216 10.986 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.396 12.706 10.540 1.00 0.00 C ATOM 998 CZ TYR A 64 3.166 11.991 11.433 1.00 0.00 C ATOM 999 OH TYR A 64 2.895 12.054 12.777 1.00 0.00 O ATOM 0 H TYR A 64 4.054 14.294 6.470 1.00 0.00 H new ATOM 0 HA TYR A 64 6.020 12.409 7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.196 12.138 6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.244 10.764 6.961 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.307 10.548 9.290 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.072 13.196 8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.810 10.657 11.688 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.578 13.316 10.894 1.00 0.00 H new ATOM 0 HH TYR A 64 3.272 12.879 13.148 1.00 0.00 H new ATOM 1009 N THR A 65 6.761 11.468 5.412 1.00 0.00 N ATOM 1010 CA THR A 65 7.428 11.320 4.139 1.00 0.00 C ATOM 1011 C THR A 65 6.852 10.138 3.396 1.00 0.00 C ATOM 1012 O THR A 65 6.384 9.185 4.014 1.00 0.00 O ATOM 1013 CB THR A 65 8.949 11.116 4.308 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.227 9.740 4.588 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.500 11.981 5.431 1.00 0.00 C ATOM 0 H THR A 65 7.088 10.851 6.156 1.00 0.00 H new ATOM 0 HA THR A 65 7.267 12.239 3.575 1.00 0.00 H new ATOM 0 HB THR A 65 9.433 11.410 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.327 9.617 5.555 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.573 11.815 5.525 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.314 13.031 5.206 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.009 11.718 6.368 1.00 0.00 H new ATOM 1023 N THR A 66 6.849 10.201 2.079 1.00 0.00 N ATOM 1024 CA THR A 66 6.583 9.015 1.292 1.00 0.00 C ATOM 1025 C THR A 66 7.877 8.204 1.122 1.00 0.00 C ATOM 1026 O THR A 66 8.105 7.565 0.097 1.00 0.00 O ATOM 1027 CB THR A 66 5.989 9.379 -0.083 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.811 10.361 -0.733 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.572 9.911 0.061 1.00 0.00 C ATOM 0 H THR A 66 7.025 11.048 1.538 1.00 0.00 H new ATOM 0 HA THR A 66 5.847 8.409 1.820 1.00 0.00 H new ATOM 0 HB THR A 66 5.960 8.474 -0.689 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.723 11.220 -0.269 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.175 10.161 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.943 9.150 0.524 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.580 10.804 0.686 1.00 0.00 H new ATOM 1037 N ASN A 67 8.716 8.250 2.156 1.00 0.00 N ATOM 1038 CA ASN A 67 10.025 7.610 2.151 1.00 0.00 C ATOM 1039 C ASN A 67 10.048 6.459 3.157 1.00 0.00 C ATOM 1040 O ASN A 67 9.828 6.671 4.348 1.00 0.00 O ATOM 1041 CB ASN A 67 11.080 8.655 2.532 1.00 0.00 C ATOM 1042 CG ASN A 67 12.506 8.178 2.417 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.786 6.984 2.373 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.426 9.127 2.415 1.00 0.00 N ATOM 0 H ASN A 67 8.502 8.737 3.026 1.00 0.00 H new ATOM 0 HA ASN A 67 10.238 7.209 1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.951 9.531 1.896 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.900 8.977 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.415 8.879 2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.147 10.107 2.453 1.00 0.00 H new ATOM 1051 N PRO A 68 10.314 5.225 2.700 1.00 0.00 N ATOM 1052 CA PRO A 68 10.349 4.040 3.573 1.00 0.00 C ATOM 1053 C PRO A 68 11.542 4.022 4.528 1.00 0.00 C ATOM 1054 O PRO A 68 11.770 3.037 5.233 1.00 0.00 O ATOM 1055 CB PRO A 68 10.432 2.859 2.594 1.00 0.00 C ATOM 1056 CG PRO A 68 10.133 3.432 1.248 1.00 0.00 C ATOM 1057 CD PRO A 68 10.569 4.866 1.300 1.00 0.00 C ATOM 0 HA PRO A 68 9.476 4.014 4.225 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.421 2.402 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.715 2.081 2.857 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.667 2.891 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.070 3.356 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.621 4.980 1.037 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.999 5.489 0.611 1.00 0.00 H new ATOM 1065 N ARG A 69 12.305 5.101 4.533 1.00 0.00 N ATOM 1066 CA ARG A 69 13.409 5.259 5.464 1.00 0.00 C ATOM 1067 C ARG A 69 12.928 5.818 6.798 1.00 0.00 C ATOM 1068 O ARG A 69 13.228 5.266 7.856 1.00 0.00 O ATOM 1069 CB ARG A 69 14.453 6.189 4.862 1.00 0.00 C ATOM 1070 CG ARG A 69 15.223 5.574 3.708 1.00 0.00 C ATOM 1071 CD ARG A 69 16.091 4.416 4.170 1.00 0.00 C ATOM 1072 NE ARG A 69 17.150 4.855 5.079 1.00 0.00 N ATOM 1073 CZ ARG A 69 18.333 4.256 5.178 1.00 0.00 C ATOM 1074 NH1 ARG A 69 18.588 3.169 4.460 1.00 0.00 N ATOM 1075 NH2 ARG A 69 19.260 4.736 5.998 1.00 0.00 N ATOM 0 H ARG A 69 12.178 5.888 3.896 1.00 0.00 H new ATOM 0 HA ARG A 69 13.849 4.278 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.961 7.098 4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.156 6.484 5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.524 5.225 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.848 6.335 3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.469 3.673 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.536 3.928 3.303 1.00 0.00 H new ATOM 0 HE ARG A 69 16.971 5.667 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.877 2.794 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 69 19.495 2.709 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.066 5.568 6.556 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.166 4.273 6.070 1.00 0.00 H new ATOM 1089 N LYS A 70 12.176 6.910 6.746 1.00 0.00 N ATOM 1090 CA LYS A 70 11.720 7.567 7.962 1.00 0.00 C ATOM 1091 C LYS A 70 10.240 7.926 7.864 1.00 0.00 C ATOM 1092 O LYS A 70 9.702 8.105 6.772 1.00 0.00 O ATOM 1093 CB LYS A 70 12.563 8.819 8.264 1.00 0.00 C ATOM 1094 CG LYS A 70 12.383 9.986 7.297 1.00 0.00 C ATOM 1095 CD LYS A 70 13.207 9.831 6.029 1.00 0.00 C ATOM 1096 CE LYS A 70 13.308 11.151 5.276 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.195 12.125 5.975 1.00 0.00 N ATOM 0 H LYS A 70 11.871 7.356 5.881 1.00 0.00 H new ATOM 0 HA LYS A 70 11.848 6.866 8.787 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.321 9.163 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.615 8.534 8.269 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.329 10.073 7.032 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.664 10.913 7.797 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.206 9.476 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.753 9.076 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.691 10.968 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.313 11.582 5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.018 13.082 5.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.997 12.105 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.189 11.869 5.811 1.00 0.00 H new ATOM 1111 N LEU A 71 9.596 8.030 9.019 1.00 0.00 N ATOM 1112 CA LEU A 71 8.163 8.295 9.097 1.00 0.00 C ATOM 1113 C LEU A 71 7.861 9.752 8.807 1.00 0.00 C ATOM 1114 O LEU A 71 6.945 10.065 8.045 1.00 0.00 O ATOM 1115 CB LEU A 71 7.639 7.911 10.489 1.00 0.00 C ATOM 1116 CG LEU A 71 6.170 8.247 10.769 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.249 7.399 9.912 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.854 8.052 12.243 1.00 0.00 C ATOM 0 H LEU A 71 10.050 7.933 9.927 1.00 0.00 H new ATOM 0 HA LEU A 71 7.659 7.691 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.778 6.839 10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.254 8.410 11.238 1.00 0.00 H new ATOM 0 HG LEU A 71 6.004 9.293 10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.212 7.656 10.129 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.457 7.587 8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.416 6.345 10.132 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.807 8.295 12.426 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.040 7.015 12.521 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.488 8.707 12.841 1.00 0.00 H new ATOM 1130 N TYR A 72 8.656 10.640 9.372 1.00 0.00 N ATOM 1131 CA TYR A 72 8.417 12.058 9.209 1.00 0.00 C ATOM 1132 C TYR A 72 9.736 12.790 9.078 1.00 0.00 C ATOM 1133 O TYR A 72 10.790 12.263 9.434 1.00 0.00 O ATOM 1134 CB TYR A 72 7.607 12.615 10.391 1.00 0.00 C ATOM 1135 CG TYR A 72 8.415 12.866 11.646 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.697 11.842 12.540 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.891 14.139 11.932 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.434 12.082 13.683 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.628 14.386 13.070 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.897 13.354 13.944 1.00 0.00 C ATOM 1141 OH TYR A 72 10.636 13.594 15.079 1.00 0.00 O ATOM 0 H TYR A 72 9.467 10.406 9.944 1.00 0.00 H new ATOM 0 HA TYR A 72 7.835 12.211 8.300 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.137 13.549 10.084 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.804 11.916 10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.335 10.844 12.339 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.680 14.950 11.250 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.647 11.276 14.370 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.993 15.382 13.276 1.00 0.00 H new ATOM 0 HH TYR A 72 10.886 14.541 15.113 1.00 0.00 H new ATOM 1151 N ASP A 73 9.664 13.992 8.551 1.00 0.00 N ATOM 1152 CA ASP A 73 10.841 14.806 8.309 1.00 0.00 C ATOM 1153 C ASP A 73 10.403 16.259 8.196 1.00 0.00 C ATOM 1154 O ASP A 73 9.220 16.530 8.038 1.00 0.00 O ATOM 1155 CB ASP A 73 11.528 14.340 7.020 1.00 0.00 C ATOM 1156 CG ASP A 73 12.918 14.913 6.830 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.440 15.553 7.766 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.505 14.692 5.746 1.00 0.00 O ATOM 0 H ASP A 73 8.788 14.436 8.277 1.00 0.00 H new ATOM 0 HA ASP A 73 11.553 14.707 9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.591 13.252 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.909 14.620 6.167 1.00 0.00 H new ATOM 1163 N TYR A 74 11.338 17.184 8.269 1.00 0.00 N ATOM 1164 CA TYR A 74 11.012 18.601 8.255 1.00 0.00 C ATOM 1165 C TYR A 74 11.081 19.117 6.836 1.00 0.00 C ATOM 1166 O TYR A 74 11.773 18.541 6.011 1.00 0.00 O ATOM 1167 CB TYR A 74 11.988 19.368 9.146 1.00 0.00 C ATOM 1168 CG TYR A 74 11.965 18.899 10.589 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.638 17.743 10.966 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.256 19.594 11.570 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.604 17.286 12.267 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.225 19.143 12.877 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.900 17.987 13.218 1.00 0.00 C ATOM 1174 OH TYR A 74 11.867 17.526 14.515 1.00 0.00 O ATOM 0 H TYR A 74 12.335 16.982 8.339 1.00 0.00 H new ATOM 0 HA TYR A 74 10.003 18.747 8.639 1.00 0.00 H new ATOM 0 HB2 TYR A 74 12.997 19.258 8.750 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.746 20.430 9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.199 17.192 10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.725 20.496 11.305 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.128 16.381 12.538 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.676 19.692 13.628 1.00 0.00 H new ATOM 0 HH TYR A 74 11.329 18.134 15.065 1.00 0.00 H new ATOM 1184 N CYS A 75 10.357 20.185 6.553 1.00 0.00 N ATOM 1185 CA CYS A 75 10.343 20.761 5.218 1.00 0.00 C ATOM 1186 C CYS A 75 11.200 22.014 5.167 1.00 0.00 C ATOM 1187 O CYS A 75 11.593 22.553 6.200 1.00 0.00 O ATOM 1188 CB CYS A 75 8.914 21.093 4.799 1.00 0.00 C ATOM 1189 SG CYS A 75 7.824 19.648 4.716 1.00 0.00 S ATOM 0 H CYS A 75 9.770 20.672 7.230 1.00 0.00 H new ATOM 0 HA CYS A 75 10.755 20.027 4.525 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.496 21.812 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.934 21.578 3.823 1.00 0.00 H new ATOM 1194 N ASP A 76 11.464 22.485 3.960 1.00 0.00 N ATOM 1195 CA ASP A 76 12.341 23.630 3.760 1.00 0.00 C ATOM 1196 C ASP A 76 11.541 24.814 3.226 1.00 0.00 C ATOM 1197 O ASP A 76 11.833 25.356 2.162 1.00 0.00 O ATOM 1198 CB ASP A 76 13.479 23.264 2.790 1.00 0.00 C ATOM 1199 CG ASP A 76 14.688 24.180 2.911 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.647 25.314 2.389 1.00 0.00 O ATOM 1201 OD2 ASP A 76 15.698 23.757 3.515 1.00 0.00 O ATOM 0 H ASP A 76 11.083 22.092 3.100 1.00 0.00 H new ATOM 0 HA ASP A 76 12.781 23.911 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.790 22.236 2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.103 23.303 1.768 1.00 0.00 H new ATOM 1206 N VAL A 77 10.506 25.200 3.958 1.00 0.00 N ATOM 1207 CA VAL A 77 9.700 26.345 3.570 1.00 0.00 C ATOM 1208 C VAL A 77 10.187 27.594 4.293 1.00 0.00 C ATOM 1209 O VAL A 77 10.348 27.602 5.511 1.00 0.00 O ATOM 1210 CB VAL A 77 8.189 26.120 3.823 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.921 25.636 5.229 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.400 27.385 3.540 1.00 0.00 C ATOM 0 H VAL A 77 10.207 24.740 4.818 1.00 0.00 H new ATOM 0 HA VAL A 77 9.820 26.480 2.495 1.00 0.00 H new ATOM 0 HB VAL A 77 7.859 25.341 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.849 25.490 5.366 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.439 24.691 5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.281 26.377 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.341 27.203 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.749 28.185 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.542 27.677 2.499 1.00 0.00 H new ATOM 1222 N PRO A 78 10.440 28.656 3.523 1.00 0.00 N ATOM 1223 CA PRO A 78 11.018 29.905 4.029 1.00 0.00 C ATOM 1224 C PRO A 78 10.149 30.605 5.044 1.00 0.00 C ATOM 1225 O PRO A 78 8.934 30.414 5.110 1.00 0.00 O ATOM 1226 CB PRO A 78 11.159 30.768 2.770 1.00 0.00 C ATOM 1227 CG PRO A 78 10.180 30.191 1.804 1.00 0.00 C ATOM 1228 CD PRO A 78 10.178 28.721 2.077 1.00 0.00 C ATOM 0 HA PRO A 78 11.954 29.718 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.938 31.814 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.174 30.730 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.188 30.619 1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.473 30.400 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.223 28.263 1.818 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.946 28.202 1.503 1.00 0.00 H new ATOM 1236 N GLN A 79 10.808 31.421 5.836 1.00 0.00 N ATOM 1237 CA GLN A 79 10.161 32.170 6.874 1.00 0.00 C ATOM 1238 C GLN A 79 9.398 33.335 6.277 1.00 0.00 C ATOM 1239 O GLN A 79 9.983 34.315 5.817 1.00 0.00 O ATOM 1240 CB GLN A 79 11.181 32.661 7.898 1.00 0.00 C ATOM 1241 CG GLN A 79 10.545 33.460 9.004 1.00 0.00 C ATOM 1242 CD GLN A 79 9.496 32.659 9.726 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.472 33.203 10.116 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.746 31.361 9.901 1.00 0.00 N ATOM 0 H GLN A 79 11.814 31.580 5.772 1.00 0.00 H new ATOM 0 HA GLN A 79 9.454 31.518 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.703 31.805 8.326 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.930 33.273 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.311 33.780 9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.095 34.363 8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.617 30.958 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.066 30.771 10.381 1.00 0.00 H new ATOM 1253 N CYS A 80 8.090 33.202 6.277 1.00 0.00 N ATOM 1254 CA CYS A 80 7.216 34.222 5.756 1.00 0.00 C ATOM 1255 C CYS A 80 7.185 35.400 6.721 1.00 0.00 C ATOM 1256 O CYS A 80 7.196 36.560 6.310 1.00 0.00 O ATOM 1257 CB CYS A 80 5.807 33.661 5.565 1.00 0.00 C ATOM 1258 SG CYS A 80 4.951 34.291 4.091 1.00 0.00 S ATOM 0 H CYS A 80 7.605 32.381 6.639 1.00 0.00 H new ATOM 0 HA CYS A 80 7.589 34.557 4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.866 32.574 5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.211 33.897 6.447 1.00 0.00 H new ATOM 1263 N ALA A 81 7.164 35.083 8.013 1.00 0.00 N ATOM 1264 CA ALA A 81 7.162 36.109 9.053 1.00 0.00 C ATOM 1265 C ALA A 81 8.582 36.415 9.517 1.00 0.00 C ATOM 1266 O ALA A 81 8.911 36.254 10.695 1.00 0.00 O ATOM 1267 CB ALA A 81 6.304 35.678 10.233 1.00 0.00 C ATOM 0 H ALA A 81 7.148 34.126 8.365 1.00 0.00 H new ATOM 0 HA ALA A 81 6.736 37.017 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.317 36.457 10.996 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.280 35.515 9.898 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.700 34.753 10.652 1.00 0.00 H new