USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 459 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 170:sc= 0.829 (180deg=0.766) USER MOD Set 2.1: A 57 TYR OH : rot 103:sc= 0.168 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.503 X(o=-0.34,f=0.08) USER MOD Set 3.1: A 26 GLN : amide:sc= 1.32 K(o=1.8,f=-2.8) USER MOD Set 3.2: A 50 LYS NZ :NH3+ -168:sc= 0.526 (180deg=-0.114) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 39:sc= 1.39 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0315 X(o=-0.031,f=-0.031) USER MOD Single : A 49 SER OG : rot 82:sc= 1.19 USER MOD Single : A 52 SER OG : rot 73:sc= 0.4 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -79:sc= 0.828 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -10.140 10.026 8.455 1.00 10.00 N ATOM 59 CA TRP A 5 -9.236 10.304 7.332 1.00 10.00 C ATOM 60 C TRP A 5 -7.834 10.771 7.751 1.00 10.00 C ATOM 61 O TRP A 5 -6.961 10.890 6.899 1.00 10.00 O ATOM 62 CB TRP A 5 -9.912 11.349 6.425 1.00 10.00 C ATOM 63 CG TRP A 5 -10.693 12.433 7.120 1.00 10.00 C ATOM 64 CD1 TRP A 5 -12.044 12.488 7.177 1.00 10.00 C ATOM 65 CD2 TRP A 5 -10.218 13.578 7.902 1.00 10.00 C ATOM 66 NE1 TRP A 5 -12.439 13.578 7.927 1.00 10.00 N ATOM 67 CE2 TRP A 5 -11.355 14.279 8.410 1.00 10.00 C ATOM 68 CE3 TRP A 5 -8.949 14.092 8.252 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -11.241 15.420 9.219 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -8.822 15.232 9.070 1.00 10.00 C ATOM 71 CH2 TRP A 5 -9.963 15.897 9.552 1.00 10.00 C ATOM 0 HA TRP A 5 -9.068 9.367 6.802 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -9.142 11.821 5.814 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -10.584 10.827 5.744 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -12.714 11.784 6.706 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -13.411 13.833 8.102 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -8.059 13.601 7.885 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -12.125 15.925 9.581 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -7.840 15.598 9.329 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -9.857 16.772 10.176 1.00 10.00 H new ATOM 82 N SER A 6 -7.576 11.025 9.035 1.00 10.00 N ATOM 83 CA SER A 6 -6.299 11.564 9.548 1.00 10.00 C ATOM 84 C SER A 6 -5.040 10.741 9.201 1.00 10.00 C ATOM 85 O SER A 6 -3.940 11.299 9.174 1.00 10.00 O ATOM 86 CB SER A 6 -6.398 11.761 11.065 1.00 10.00 C ATOM 87 OG SER A 6 -6.762 10.546 11.708 1.00 10.00 O ATOM 0 H SER A 6 -8.262 10.860 9.772 1.00 10.00 H new ATOM 0 HA SER A 6 -6.159 12.514 9.032 1.00 10.00 H new ATOM 0 HB2 SER A 6 -5.442 12.112 11.454 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.135 12.532 11.289 1.00 10.00 H new ATOM 0 HG SER A 6 -6.818 10.692 12.675 1.00 10.00 H new ATOM 93 N GLY A 7 -5.183 9.452 8.867 1.00 10.00 N ATOM 94 CA GLY A 7 -4.099 8.574 8.390 1.00 10.00 C ATOM 95 C GLY A 7 -3.948 8.488 6.858 1.00 10.00 C ATOM 96 O GLY A 7 -3.072 7.770 6.370 1.00 10.00 O ATOM 0 H GLY A 7 -6.082 8.974 8.922 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -3.157 8.924 8.812 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -4.269 7.570 8.779 1.00 10.00 H new ATOM 100 N TYR A 8 -4.786 9.208 6.102 1.00 10.00 N ATOM 101 CA TYR A 8 -4.962 9.127 4.648 1.00 10.00 C ATOM 102 C TYR A 8 -5.119 10.498 3.951 1.00 10.00 C ATOM 103 O TYR A 8 -5.038 10.602 2.724 1.00 10.00 O ATOM 104 CB TYR A 8 -6.201 8.255 4.370 1.00 10.00 C ATOM 105 CG TYR A 8 -6.120 6.843 4.926 1.00 10.00 C ATOM 106 CD1 TYR A 8 -5.353 5.867 4.259 1.00 10.00 C ATOM 107 CD2 TYR A 8 -6.790 6.511 6.123 1.00 10.00 C ATOM 108 CE1 TYR A 8 -5.253 4.563 4.783 1.00 10.00 C ATOM 109 CE2 TYR A 8 -6.690 5.209 6.650 1.00 10.00 C ATOM 110 CZ TYR A 8 -5.922 4.231 5.983 1.00 10.00 C ATOM 111 OH TYR A 8 -5.830 2.974 6.501 1.00 10.00 O ATOM 0 H TYR A 8 -5.399 9.909 6.518 1.00 10.00 H new ATOM 0 HA TYR A 8 -4.053 8.692 4.232 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -7.077 8.747 4.792 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -6.355 8.199 3.292 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -4.840 6.119 3.343 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -7.380 7.256 6.635 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -4.665 3.817 4.268 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -7.202 4.958 7.567 1.00 10.00 H new ATOM 0 HH TYR A 8 -6.351 2.923 7.329 1.00 10.00 H new ATOM 121 N LEU A 9 -5.341 11.556 4.736 1.00 10.00 N ATOM 122 CA LEU A 9 -5.727 12.906 4.325 1.00 10.00 C ATOM 123 C LEU A 9 -4.863 13.505 3.212 1.00 10.00 C ATOM 124 O LEU A 9 -5.390 13.942 2.192 1.00 10.00 O ATOM 125 CB LEU A 9 -5.686 13.783 5.598 1.00 10.00 C ATOM 126 CG LEU A 9 -5.883 15.292 5.369 1.00 10.00 C ATOM 127 CD1 LEU A 9 -7.287 15.616 4.873 1.00 10.00 C ATOM 128 CD2 LEU A 9 -5.632 16.067 6.662 1.00 10.00 C ATOM 0 H LEU A 9 -5.248 11.485 5.749 1.00 10.00 H new ATOM 0 HA LEU A 9 -6.723 12.864 3.885 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -6.458 13.433 6.284 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -4.727 13.630 6.093 1.00 10.00 H new ATOM 0 HG LEU A 9 -5.165 15.590 4.605 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -7.381 16.692 4.725 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -7.467 15.103 3.928 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -8.019 15.286 5.610 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -5.776 17.132 6.481 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -6.330 15.731 7.429 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -4.611 15.891 6.999 1.00 10.00 H new ATOM 140 N ASP A 10 -3.547 13.517 3.397 1.00 10.00 N ATOM 141 CA ASP A 10 -2.589 14.243 2.547 1.00 10.00 C ATOM 142 C ASP A 10 -2.345 13.610 1.151 1.00 10.00 C ATOM 143 O ASP A 10 -1.384 13.937 0.455 1.00 10.00 O ATOM 144 CB ASP A 10 -1.290 14.425 3.353 1.00 10.00 C ATOM 145 CG ASP A 10 -0.329 15.468 2.752 1.00 10.00 C ATOM 146 OD1 ASP A 10 -0.765 16.611 2.472 1.00 10.00 O ATOM 147 OD2 ASP A 10 0.885 15.171 2.622 1.00 10.00 O ATOM 0 H ASP A 10 -3.098 13.011 4.160 1.00 10.00 H new ATOM 0 HA ASP A 10 -3.022 15.212 2.298 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -1.543 14.721 4.371 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -0.776 13.466 3.419 1.00 10.00 H new ATOM 152 N ASP A 11 -3.235 12.712 0.727 1.00 10.00 N ATOM 153 CA ASP A 11 -3.320 12.156 -0.630 1.00 10.00 C ATOM 154 C ASP A 11 -4.749 12.216 -1.182 1.00 10.00 C ATOM 155 O ASP A 11 -4.950 12.512 -2.356 1.00 10.00 O ATOM 156 CB ASP A 11 -2.767 10.723 -0.634 1.00 10.00 C ATOM 157 CG ASP A 11 -2.743 10.124 -2.051 1.00 10.00 C ATOM 158 OD1 ASP A 11 -1.843 10.487 -2.846 1.00 10.00 O ATOM 159 OD2 ASP A 11 -3.611 9.275 -2.367 1.00 10.00 O ATOM 0 H ASP A 11 -3.951 12.333 1.347 1.00 10.00 H new ATOM 0 HA ASP A 11 -2.710 12.767 -1.295 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -1.758 10.722 -0.222 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -3.378 10.096 0.015 1.00 10.00 H new ATOM 164 N VAL A 12 -5.744 12.021 -0.321 1.00 10.00 N ATOM 165 CA VAL A 12 -7.176 12.059 -0.625 1.00 10.00 C ATOM 166 C VAL A 12 -7.702 13.487 -0.776 1.00 10.00 C ATOM 167 O VAL A 12 -8.348 13.821 -1.769 1.00 10.00 O ATOM 168 CB VAL A 12 -7.907 11.327 0.518 1.00 10.00 C ATOM 169 CG1 VAL A 12 -9.431 11.424 0.429 1.00 10.00 C ATOM 170 CG2 VAL A 12 -7.493 9.849 0.524 1.00 10.00 C ATOM 0 H VAL A 12 -5.565 11.821 0.663 1.00 10.00 H new ATOM 0 HA VAL A 12 -7.356 11.571 -1.583 1.00 10.00 H new ATOM 0 HB VAL A 12 -7.613 11.821 1.444 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -9.879 10.887 1.265 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -9.732 12.471 0.468 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -9.769 10.984 -0.509 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -8.009 9.330 1.332 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -7.760 9.393 -0.429 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -6.416 9.773 0.674 1.00 10.00 H new ATOM 180 N SER A 13 -7.393 14.336 0.199 1.00 10.00 N ATOM 181 CA SER A 13 -7.698 15.760 0.208 1.00 10.00 C ATOM 182 C SER A 13 -6.730 16.550 -0.640 1.00 10.00 C ATOM 183 O SER A 13 -7.135 17.443 -1.374 1.00 10.00 O ATOM 184 CB SER A 13 -7.618 16.269 1.649 1.00 10.00 C ATOM 185 OG SER A 13 -7.754 17.675 1.752 1.00 10.00 O ATOM 0 H SER A 13 -6.902 14.036 1.041 1.00 10.00 H new ATOM 0 HA SER A 13 -8.697 15.895 -0.206 1.00 10.00 H new ATOM 0 HB2 SER A 13 -8.399 15.791 2.240 1.00 10.00 H new ATOM 0 HB3 SER A 13 -6.663 15.970 2.081 1.00 10.00 H new ATOM 0 HG SER A 13 -8.426 17.987 1.110 1.00 10.00 H new ATOM 191 N ALA A 14 -5.446 16.205 -0.621 1.00 10.00 N ATOM 192 CA ALA A 14 -4.476 16.960 -1.398 1.00 10.00 C ATOM 193 C ALA A 14 -4.732 16.877 -2.923 1.00 10.00 C ATOM 194 O ALA A 14 -4.491 17.835 -3.661 1.00 10.00 O ATOM 195 CB ALA A 14 -3.086 16.521 -1.005 1.00 10.00 C ATOM 0 H ALA A 14 -5.062 15.425 -0.088 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.584 18.019 -1.165 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -2.351 17.081 -1.582 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -2.932 16.708 0.058 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -2.970 15.456 -1.206 1.00 10.00 H new ATOM 201 N LYS A 15 -5.306 15.749 -3.371 1.00 10.00 N ATOM 202 CA LYS A 15 -5.855 15.485 -4.709 1.00 10.00 C ATOM 203 C LYS A 15 -7.030 16.412 -5.092 1.00 10.00 C ATOM 204 O LYS A 15 -7.338 16.549 -6.277 1.00 10.00 O ATOM 205 CB LYS A 15 -6.214 13.986 -4.733 1.00 10.00 C ATOM 206 CG LYS A 15 -7.073 13.470 -5.894 1.00 10.00 C ATOM 207 CD LYS A 15 -7.180 11.935 -5.913 1.00 10.00 C ATOM 208 CE LYS A 15 -5.838 11.254 -6.224 1.00 10.00 C ATOM 209 NZ LYS A 15 -5.967 9.773 -6.248 1.00 10.00 N ATOM 0 H LYS A 15 -5.405 14.938 -2.761 1.00 10.00 H new ATOM 0 HA LYS A 15 -5.117 15.714 -5.478 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -5.283 13.420 -4.729 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -6.733 13.752 -3.804 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -8.072 13.899 -5.821 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.647 13.813 -6.837 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -7.544 11.588 -4.946 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -7.917 11.635 -6.658 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -5.467 11.603 -7.188 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -5.101 11.543 -5.475 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -5.042 9.347 -6.461 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -6.297 9.438 -5.320 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -6.652 9.496 -6.980 1.00 10.00 H new ATOM 223 N PHE A 16 -7.643 17.083 -4.112 1.00 10.00 N ATOM 224 CA PHE A 16 -8.764 18.010 -4.245 1.00 10.00 C ATOM 225 C PHE A 16 -8.438 19.463 -3.865 1.00 10.00 C ATOM 226 O PHE A 16 -9.053 20.398 -4.368 1.00 10.00 O ATOM 227 CB PHE A 16 -10.001 17.400 -3.543 1.00 10.00 C ATOM 228 CG PHE A 16 -10.252 17.362 -2.033 1.00 10.00 C ATOM 229 CD1 PHE A 16 -9.896 18.392 -1.140 1.00 10.00 C ATOM 230 CD2 PHE A 16 -10.985 16.264 -1.529 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.286 18.336 0.210 1.00 10.00 C ATOM 232 CE2 PHE A 16 -11.352 16.191 -0.174 1.00 10.00 C ATOM 233 CZ PHE A 16 -11.000 17.231 0.700 1.00 10.00 C ATOM 0 H PHE A 16 -7.347 16.984 -3.141 1.00 10.00 H new ATOM 0 HA PHE A 16 -9.005 18.121 -5.302 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -10.864 17.910 -3.972 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -10.046 16.363 -3.875 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -9.318 19.232 -1.496 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -11.269 15.465 -2.198 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -10.034 19.149 0.875 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -11.903 15.338 0.193 1.00 10.00 H new ATOM 0 HZ PHE A 16 -11.277 17.182 1.743 1.00 10.00 H new ATOM 243 N ASP A 17 -7.404 19.651 -3.045 1.00 10.00 N ATOM 244 CA ASP A 17 -7.021 20.883 -2.349 1.00 10.00 C ATOM 245 C ASP A 17 -7.185 22.194 -3.122 1.00 10.00 C ATOM 246 O ASP A 17 -7.955 23.057 -2.713 1.00 10.00 O ATOM 247 CB ASP A 17 -5.602 20.730 -1.783 1.00 10.00 C ATOM 248 CG ASP A 17 -5.137 21.989 -1.031 1.00 10.00 C ATOM 249 OD1 ASP A 17 -5.552 22.187 0.136 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.344 22.776 -1.601 1.00 10.00 O ATOM 0 H ASP A 17 -6.762 18.888 -2.833 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.751 20.993 -1.547 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.572 19.874 -1.108 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.909 20.518 -2.597 1.00 10.00 H new ATOM 255 N THR A 18 -6.482 22.368 -4.234 1.00 10.00 N ATOM 256 CA THR A 18 -6.422 23.674 -4.906 1.00 10.00 C ATOM 257 C THR A 18 -7.732 24.045 -5.627 1.00 10.00 C ATOM 258 O THR A 18 -8.077 25.223 -5.741 1.00 10.00 O ATOM 259 CB THR A 18 -5.206 23.734 -5.837 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.849 25.068 -6.140 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.464 23.014 -7.155 1.00 10.00 C ATOM 0 H THR A 18 -5.946 21.631 -4.693 1.00 10.00 H new ATOM 0 HA THR A 18 -6.300 24.434 -4.134 1.00 10.00 H new ATOM 0 HB THR A 18 -4.396 23.241 -5.299 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.070 25.071 -6.734 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.577 23.080 -7.785 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.692 21.966 -6.959 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.307 23.480 -7.665 1.00 10.00 H new ATOM 269 N GLY A 19 -8.498 23.040 -6.074 1.00 10.00 N ATOM 270 CA GLY A 19 -9.797 23.234 -6.730 1.00 10.00 C ATOM 271 C GLY A 19 -10.928 23.364 -5.717 1.00 10.00 C ATOM 272 O GLY A 19 -11.765 24.259 -5.848 1.00 10.00 O ATOM 0 H GLY A 19 -8.230 22.060 -5.989 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.761 24.129 -7.351 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.998 22.393 -7.394 1.00 10.00 H new ATOM 292 N ASP A 21 -10.434 24.600 -2.854 1.00 10.00 N ATOM 293 CA ASP A 21 -10.141 25.901 -2.299 1.00 10.00 C ATOM 294 C ASP A 21 -10.747 27.054 -3.099 1.00 10.00 C ATOM 295 O ASP A 21 -11.132 28.040 -2.488 1.00 10.00 O ATOM 296 CB ASP A 21 -8.634 26.001 -2.106 1.00 10.00 C ATOM 297 CG ASP A 21 -8.138 27.426 -1.807 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.234 27.865 -0.636 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.622 28.099 -2.732 1.00 10.00 O ATOM 0 HA ASP A 21 -10.626 26.001 -1.328 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.338 25.344 -1.288 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.137 25.635 -3.004 1.00 10.00 H new ATOM 304 N ASN A 22 -10.962 26.928 -4.411 1.00 10.00 N ATOM 305 CA ASN A 22 -11.732 27.912 -5.166 1.00 10.00 C ATOM 306 C ASN A 22 -13.230 27.908 -4.833 1.00 10.00 C ATOM 307 O ASN A 22 -13.920 28.910 -5.051 1.00 10.00 O ATOM 308 CB ASN A 22 -11.610 27.632 -6.669 1.00 10.00 C ATOM 309 CG ASN A 22 -10.209 27.805 -7.236 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.423 28.638 -6.805 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.862 27.045 -8.250 1.00 10.00 N ATOM 0 H ASN A 22 -10.611 26.151 -4.971 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.316 28.881 -4.889 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.942 26.612 -6.863 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.289 28.296 -7.205 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.941 27.151 -8.675 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.514 26.349 -8.613 1.00 10.00 H new ATOM 318 N LEU A 23 -13.750 26.781 -4.350 1.00 10.00 N ATOM 319 CA LEU A 23 -15.107 26.666 -3.857 1.00 10.00 C ATOM 320 C LEU A 23 -15.239 27.019 -2.373 1.00 10.00 C ATOM 321 O LEU A 23 -16.072 27.841 -2.014 1.00 10.00 O ATOM 322 CB LEU A 23 -15.696 25.313 -4.271 1.00 10.00 C ATOM 323 CG LEU A 23 -17.074 25.491 -4.945 1.00 10.00 C ATOM 324 CD1 LEU A 23 -18.041 26.277 -4.080 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.218 26.136 -6.319 1.00 10.00 C ATOM 0 H LEU A 23 -13.223 25.909 -4.292 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.726 27.426 -4.333 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -15.014 24.810 -4.957 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.796 24.673 -3.395 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.280 24.429 -5.081 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.995 26.375 -4.598 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.193 25.754 -3.136 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.631 27.268 -3.884 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.271 26.160 -6.601 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.828 27.153 -6.286 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.659 25.556 -7.053 1.00 10.00 H new ATOM 337 N GLN A 24 -14.365 26.488 -1.522 1.00 10.00 N ATOM 338 CA GLN A 24 -14.184 26.845 -0.121 1.00 10.00 C ATOM 339 C GLN A 24 -13.936 28.334 0.055 1.00 10.00 C ATOM 340 O GLN A 24 -14.599 28.917 0.895 1.00 10.00 O ATOM 341 CB GLN A 24 -13.063 26.002 0.503 1.00 10.00 C ATOM 342 CG GLN A 24 -12.346 26.608 1.713 1.00 10.00 C ATOM 343 CD GLN A 24 -11.595 25.558 2.531 1.00 10.00 C ATOM 344 OE1 GLN A 24 -10.837 24.744 2.017 1.00 10.00 O ATOM 345 NE2 GLN A 24 -11.775 25.528 3.836 1.00 10.00 N ATOM 0 H GLN A 24 -13.724 25.750 -1.813 1.00 10.00 H new ATOM 0 HA GLN A 24 -15.110 26.621 0.408 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -13.484 25.042 0.801 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -12.320 25.799 -0.268 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.644 27.369 1.372 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -13.075 27.108 2.351 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.403 26.199 4.280 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -11.287 24.834 4.402 1.00 10.00 H new ATOM 354 N THR A 25 -13.057 28.977 -0.714 1.00 10.00 N ATOM 355 CA THR A 25 -12.849 30.433 -0.635 1.00 10.00 C ATOM 356 C THR A 25 -14.177 31.161 -0.803 1.00 10.00 C ATOM 357 O THR A 25 -14.574 31.975 0.022 1.00 10.00 O ATOM 358 CB THR A 25 -11.775 30.921 -1.624 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.333 32.209 -1.255 1.00 10.00 O ATOM 360 CG2 THR A 25 -12.173 30.961 -3.096 1.00 10.00 C ATOM 0 H THR A 25 -12.470 28.512 -1.407 1.00 10.00 H new ATOM 0 HA THR A 25 -12.462 30.671 0.356 1.00 10.00 H new ATOM 0 HB THR A 25 -10.992 30.166 -1.550 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.649 32.513 -1.887 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.333 31.321 -3.690 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.448 29.959 -3.426 1.00 10.00 H new ATOM 0 HG23 THR A 25 -13.023 31.631 -3.225 1.00 10.00 H new ATOM 368 N GLN A 26 -14.949 30.723 -1.790 1.00 10.00 N ATOM 369 CA GLN A 26 -16.307 31.172 -2.065 1.00 10.00 C ATOM 370 C GLN A 26 -17.308 30.926 -0.922 1.00 10.00 C ATOM 371 O GLN A 26 -17.970 31.870 -0.487 1.00 10.00 O ATOM 372 CB GLN A 26 -16.766 30.523 -3.385 1.00 10.00 C ATOM 373 CG GLN A 26 -16.897 31.550 -4.513 1.00 10.00 C ATOM 374 CD GLN A 26 -17.181 30.889 -5.858 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.255 31.035 -6.428 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.269 30.112 -6.402 1.00 10.00 N ATOM 0 H GLN A 26 -14.631 30.013 -2.450 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.288 32.258 -2.156 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -16.053 29.752 -3.677 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.725 30.028 -3.232 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.699 32.249 -4.276 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.978 32.132 -4.582 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.369 29.980 -5.939 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.462 29.641 -7.286 1.00 10.00 H new ATOM 385 N VAL A 27 -17.424 29.699 -0.398 1.00 10.00 N ATOM 386 CA VAL A 27 -18.322 29.407 0.729 1.00 10.00 C ATOM 387 C VAL A 27 -17.890 30.158 1.979 1.00 10.00 C ATOM 388 O VAL A 27 -18.708 30.623 2.759 1.00 10.00 O ATOM 389 CB VAL A 27 -18.477 27.915 1.093 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.416 26.978 -0.111 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.543 27.325 2.155 1.00 10.00 C ATOM 0 H VAL A 27 -16.905 28.889 -0.738 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.296 29.743 0.372 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.473 27.958 1.533 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.532 25.947 0.224 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.218 27.226 -0.806 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.454 27.091 -0.611 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.776 26.270 2.299 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.509 27.427 1.827 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.679 27.858 3.096 1.00 10.00 H new ATOM 401 N THR A 28 -16.583 30.284 2.171 1.00 10.00 N ATOM 402 CA THR A 28 -15.984 30.962 3.303 1.00 10.00 C ATOM 403 C THR A 28 -16.182 32.454 3.211 1.00 10.00 C ATOM 404 O THR A 28 -16.225 33.124 4.227 1.00 10.00 O ATOM 405 CB THR A 28 -14.483 30.741 3.399 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.152 29.373 3.428 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.954 31.313 4.694 1.00 10.00 C ATOM 0 H THR A 28 -15.894 29.904 1.522 1.00 10.00 H new ATOM 0 HA THR A 28 -16.481 30.540 4.177 1.00 10.00 H new ATOM 0 HB THR A 28 -14.050 31.223 2.522 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.902 29.078 2.528 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.878 31.149 4.752 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.160 32.383 4.730 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.442 30.821 5.535 1.00 10.00 H new ATOM 415 N GLU A 29 -16.304 33.015 2.019 1.00 10.00 N ATOM 416 CA GLU A 29 -16.640 34.411 1.890 1.00 10.00 C ATOM 417 C GLU A 29 -18.149 34.638 2.104 1.00 10.00 C ATOM 418 O GLU A 29 -18.548 35.682 2.611 1.00 10.00 O ATOM 419 CB GLU A 29 -16.122 34.971 0.586 1.00 10.00 C ATOM 420 CG GLU A 29 -14.600 35.152 0.639 1.00 10.00 C ATOM 421 CD GLU A 29 -14.067 35.863 -0.621 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.206 35.324 -1.746 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.508 36.981 -0.496 1.00 10.00 O ATOM 0 H GLU A 29 -16.175 32.523 1.135 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.138 34.971 2.679 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.385 34.301 -0.233 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.600 35.929 0.381 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.333 35.730 1.524 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.121 34.178 0.738 1.00 10.00 H new ATOM 430 N ALA A 30 -19.008 33.661 1.788 1.00 10.00 N ATOM 431 CA ALA A 30 -20.412 33.684 2.195 1.00 10.00 C ATOM 432 C ALA A 30 -20.507 33.610 3.726 1.00 10.00 C ATOM 433 O ALA A 30 -21.292 34.306 4.367 1.00 10.00 O ATOM 434 CB ALA A 30 -21.150 32.507 1.561 1.00 10.00 C ATOM 0 H ALA A 30 -18.748 32.837 1.245 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.874 34.612 1.858 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.196 32.527 1.866 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.087 32.580 0.475 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.694 31.573 1.888 1.00 10.00 H new ATOM 440 N LEU A 31 -19.633 32.801 4.317 1.00 10.00 N ATOM 441 CA LEU A 31 -19.385 32.716 5.737 1.00 10.00 C ATOM 442 C LEU A 31 -18.697 33.964 6.306 1.00 10.00 C ATOM 443 O LEU A 31 -18.951 34.299 7.446 1.00 10.00 O ATOM 444 CB LEU A 31 -18.521 31.491 5.981 1.00 10.00 C ATOM 445 CG LEU A 31 -18.351 31.165 7.461 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.555 30.384 7.970 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.053 30.391 7.590 1.00 10.00 C ATOM 0 H LEU A 31 -19.052 32.156 3.782 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.344 32.642 6.250 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.965 30.634 5.475 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.539 31.651 5.535 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.299 32.065 8.074 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.421 30.158 9.028 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.458 30.980 7.838 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.649 29.454 7.409 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.886 30.133 8.636 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.113 29.479 6.996 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.227 31.004 7.231 1.00 10.00 H new ATOM 459 N ASP A 32 -17.875 34.700 5.564 1.00 10.00 N ATOM 460 CA ASP A 32 -17.343 35.994 5.990 1.00 10.00 C ATOM 461 C ASP A 32 -18.512 36.948 6.278 1.00 10.00 C ATOM 462 O ASP A 32 -18.461 37.738 7.224 1.00 10.00 O ATOM 463 CB ASP A 32 -16.338 36.535 4.954 1.00 10.00 C ATOM 464 CG ASP A 32 -15.920 37.985 5.244 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.087 38.206 6.154 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.408 38.902 4.539 1.00 10.00 O ATOM 0 H ASP A 32 -17.555 34.413 4.639 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.778 35.890 6.917 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.452 35.900 4.945 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.780 36.479 3.959 1.00 10.00 H new ATOM 471 N LYS A 33 -19.621 36.778 5.542 1.00 10.00 N ATOM 472 CA LYS A 33 -20.890 37.420 5.807 1.00 10.00 C ATOM 473 C LYS A 33 -21.610 36.774 6.993 1.00 10.00 C ATOM 474 O LYS A 33 -22.159 37.469 7.840 1.00 10.00 O ATOM 475 CB LYS A 33 -21.788 37.468 4.572 1.00 10.00 C ATOM 476 CG LYS A 33 -21.199 37.558 3.161 1.00 10.00 C ATOM 477 CD LYS A 33 -19.979 38.465 2.993 1.00 10.00 C ATOM 478 CE LYS A 33 -19.651 38.620 1.510 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.474 39.505 1.314 1.00 10.00 N ATOM 0 H LYS A 33 -19.646 36.169 4.724 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.666 38.453 6.075 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.413 36.575 4.599 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.451 38.325 4.695 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.925 36.553 2.840 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -21.980 37.907 2.486 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.177 39.441 3.435 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.125 38.043 3.522 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.451 37.641 1.074 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.512 39.033 0.985 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.272 39.594 0.298 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.677 40.445 1.710 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.648 39.097 1.797 1.00 10.00 H new ATOM 493 N LEU A 34 -21.649 35.442 7.068 1.00 10.00 N ATOM 494 CA LEU A 34 -22.403 34.710 8.097 1.00 10.00 C ATOM 495 C LEU A 34 -21.721 34.801 9.475 1.00 10.00 C ATOM 496 O LEU A 34 -22.327 34.611 10.515 1.00 10.00 O ATOM 497 CB LEU A 34 -22.638 33.271 7.630 1.00 10.00 C ATOM 498 CG LEU A 34 -24.068 32.743 7.849 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.253 31.521 7.006 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.527 32.243 9.203 1.00 10.00 C ATOM 0 H LEU A 34 -21.156 34.834 6.414 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.379 35.176 8.231 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.401 33.206 6.568 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -21.941 32.616 8.153 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.634 33.650 7.637 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.261 31.131 7.147 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.106 31.777 5.957 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.526 30.763 7.299 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.565 31.917 9.138 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.903 31.405 9.512 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.444 33.047 9.935 1.00 10.00 H new ATOM 512 N ALA A 35 -20.438 35.120 9.497 1.00 10.00 N ATOM 513 CA ALA A 35 -19.675 35.466 10.674 1.00 10.00 C ATOM 514 C ALA A 35 -19.931 36.958 11.059 1.00 10.00 C ATOM 515 O ALA A 35 -19.782 37.330 12.225 1.00 10.00 O ATOM 516 CB ALA A 35 -18.212 35.098 10.367 1.00 10.00 C ATOM 0 H ALA A 35 -19.875 35.144 8.647 1.00 10.00 H new ATOM 0 HA ALA A 35 -19.975 34.913 11.564 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.588 35.340 11.227 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.142 34.031 10.156 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.869 35.662 9.500 1.00 10.00 H new ATOM 522 N ALA A 36 -20.343 37.806 10.092 1.00 10.00 N ATOM 523 CA ALA A 36 -20.733 39.220 10.246 1.00 10.00 C ATOM 524 C ALA A 36 -22.176 39.474 10.753 1.00 10.00 C ATOM 525 O ALA A 36 -22.363 40.143 11.774 1.00 10.00 O ATOM 526 CB ALA A 36 -20.478 39.958 8.912 1.00 10.00 C ATOM 0 H ALA A 36 -20.416 37.499 9.122 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.107 39.616 11.046 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.763 41.005 9.015 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.420 39.894 8.657 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.070 39.497 8.122 1.00 10.00 H new ATOM 532 N LYS A 37 -23.192 38.932 10.065 1.00 10.00 N ATOM 533 CA LYS A 37 -24.637 39.025 10.393 1.00 10.00 C ATOM 534 C LYS A 37 -25.296 37.650 10.200 1.00 10.00 C ATOM 535 O LYS A 37 -26.133 37.441 9.326 1.00 10.00 O ATOM 536 CB LYS A 37 -25.315 40.039 9.486 1.00 10.00 C ATOM 537 CG LYS A 37 -26.643 40.578 10.025 1.00 10.00 C ATOM 538 CD LYS A 37 -27.560 39.657 10.837 1.00 10.00 C ATOM 539 CE LYS A 37 -28.792 40.506 11.106 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.777 39.827 11.987 1.00 10.00 N ATOM 0 H LYS A 37 -23.027 38.387 9.219 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.745 39.344 11.430 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.636 40.876 9.324 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.491 39.579 8.514 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -26.415 41.443 10.648 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -27.217 40.941 9.173 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -27.812 38.754 10.281 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.085 39.338 11.765 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -28.487 41.446 11.566 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -29.270 40.755 10.159 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -30.596 40.450 12.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -30.092 38.943 11.539 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.333 39.612 12.903 1.00 10.00 H new ATOM 554 N PRO A 38 -24.959 36.687 11.038 1.00 10.00 N ATOM 555 CA PRO A 38 -25.280 35.299 10.809 1.00 10.00 C ATOM 556 C PRO A 38 -26.572 34.859 10.135 1.00 10.00 C ATOM 557 O PRO A 38 -26.551 34.536 8.950 1.00 10.00 O ATOM 558 CB PRO A 38 -24.892 34.548 12.076 1.00 10.00 C ATOM 559 CG PRO A 38 -24.229 35.601 12.979 1.00 10.00 C ATOM 560 CD PRO A 38 -24.037 36.840 12.130 1.00 10.00 C ATOM 0 HA PRO A 38 -24.690 35.013 9.938 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.766 34.110 12.558 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.206 33.730 11.855 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.854 35.818 13.845 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.273 35.239 13.359 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.246 37.745 12.700 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.010 36.918 11.772 1.00 10.00 H new ATOM 568 N SER A 39 -27.698 34.822 10.829 1.00 10.00 N ATOM 569 CA SER A 39 -28.899 34.227 10.275 1.00 10.00 C ATOM 570 C SER A 39 -29.675 35.171 9.346 1.00 10.00 C ATOM 571 O SER A 39 -30.821 34.873 9.014 1.00 10.00 O ATOM 572 CB SER A 39 -29.717 33.543 11.358 1.00 10.00 C ATOM 573 OG SER A 39 -30.190 34.470 12.325 1.00 10.00 O ATOM 0 H SER A 39 -27.804 35.195 11.772 1.00 10.00 H new ATOM 0 HA SER A 39 -28.600 33.429 9.596 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.563 33.028 10.904 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.108 32.784 11.849 1.00 10.00 H new ATOM 0 HG SER A 39 -30.713 33.996 13.005 1.00 10.00 H new ATOM 579 N ASP A 40 -29.071 36.305 8.938 1.00 10.00 N ATOM 580 CA ASP A 40 -29.576 37.158 7.853 1.00 10.00 C ATOM 581 C ASP A 40 -29.774 36.225 6.654 1.00 10.00 C ATOM 582 O ASP A 40 -28.797 35.738 6.090 1.00 10.00 O ATOM 583 CB ASP A 40 -28.641 38.320 7.500 1.00 10.00 C ATOM 584 CG ASP A 40 -29.096 39.018 6.208 1.00 10.00 C ATOM 585 OD1 ASP A 40 -30.041 39.838 6.280 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.543 38.724 5.124 1.00 10.00 O ATOM 0 H ASP A 40 -28.210 36.655 9.359 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.502 37.643 8.162 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.623 39.039 8.319 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.623 37.949 7.379 1.00 10.00 H new ATOM 591 N PRO A 41 -31.008 35.913 6.253 1.00 10.00 N ATOM 592 CA PRO A 41 -31.212 34.836 5.301 1.00 10.00 C ATOM 593 C PRO A 41 -30.696 35.127 3.900 1.00 10.00 C ATOM 594 O PRO A 41 -30.381 34.194 3.173 1.00 10.00 O ATOM 595 CB PRO A 41 -32.715 34.603 5.310 1.00 10.00 C ATOM 596 CG PRO A 41 -33.294 35.966 5.704 1.00 10.00 C ATOM 597 CD PRO A 41 -32.259 36.520 6.669 1.00 10.00 C ATOM 0 HA PRO A 41 -30.639 33.956 5.594 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.076 34.282 4.333 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -32.995 33.828 6.023 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.423 36.614 4.837 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.271 35.867 6.176 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.209 37.608 6.615 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.501 36.263 7.700 1.00 10.00 H new ATOM 605 N ALA A 42 -30.565 36.391 3.511 1.00 10.00 N ATOM 606 CA ALA A 42 -30.002 36.754 2.229 1.00 10.00 C ATOM 607 C ALA A 42 -28.514 36.347 2.111 1.00 10.00 C ATOM 608 O ALA A 42 -28.121 35.768 1.095 1.00 10.00 O ATOM 609 CB ALA A 42 -30.285 38.241 2.032 1.00 10.00 C ATOM 0 H ALA A 42 -30.848 37.188 4.081 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.466 36.202 1.412 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.878 38.565 1.074 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.362 38.411 2.045 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.818 38.810 2.836 1.00 10.00 H new ATOM 615 N LEU A 43 -27.698 36.556 3.157 1.00 10.00 N ATOM 616 CA LEU A 43 -26.323 36.053 3.235 1.00 10.00 C ATOM 617 C LEU A 43 -26.217 34.568 3.653 1.00 10.00 C ATOM 618 O LEU A 43 -25.443 33.824 3.051 1.00 10.00 O ATOM 619 CB LEU A 43 -25.486 37.016 4.097 1.00 10.00 C ATOM 620 CG LEU A 43 -25.666 36.927 5.614 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.799 35.853 6.215 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.139 38.145 6.365 1.00 10.00 C ATOM 0 H LEU A 43 -27.981 37.086 3.981 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.902 36.042 2.230 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.434 36.845 3.870 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.717 38.035 3.788 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.741 36.779 5.717 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -24.955 35.821 7.293 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.062 34.888 5.781 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.752 36.072 6.006 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.301 38.011 7.435 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.073 38.259 6.171 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.667 39.037 6.027 1.00 10.00 H new ATOM 634 N LEU A 44 -26.977 34.106 4.656 1.00 10.00 N ATOM 635 CA LEU A 44 -26.947 32.711 5.132 1.00 10.00 C ATOM 636 C LEU A 44 -27.445 31.777 4.035 1.00 10.00 C ATOM 637 O LEU A 44 -26.917 30.676 3.898 1.00 10.00 O ATOM 638 CB LEU A 44 -27.680 32.592 6.493 1.00 10.00 C ATOM 639 CG LEU A 44 -28.600 31.408 6.848 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.697 31.025 5.851 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.811 30.145 7.094 1.00 10.00 C ATOM 0 H LEU A 44 -27.637 34.694 5.166 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.925 32.391 5.337 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.910 32.628 7.264 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.281 33.495 6.601 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.098 31.801 7.735 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.261 30.176 6.239 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.369 31.871 5.706 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.244 30.754 4.897 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.494 29.332 7.342 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.249 29.886 6.197 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.120 30.303 7.922 1.00 10.00 H new ATOM 653 N ALA A 45 -28.402 32.185 3.197 1.00 10.00 N ATOM 654 CA ALA A 45 -28.828 31.305 2.133 1.00 10.00 C ATOM 655 C ALA A 45 -27.821 31.282 0.973 1.00 10.00 C ATOM 656 O ALA A 45 -27.686 30.258 0.307 1.00 10.00 O ATOM 657 CB ALA A 45 -30.256 31.598 1.666 1.00 10.00 C ATOM 0 H ALA A 45 -28.875 33.088 3.239 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.850 30.297 2.548 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.526 30.909 0.866 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.945 31.472 2.501 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.315 32.622 1.298 1.00 10.00 H new ATOM 663 N ALA A 46 -27.064 32.361 0.752 1.00 10.00 N ATOM 664 CA ALA A 46 -25.935 32.348 -0.165 1.00 10.00 C ATOM 665 C ALA A 46 -24.805 31.443 0.352 1.00 10.00 C ATOM 666 O ALA A 46 -24.180 30.721 -0.422 1.00 10.00 O ATOM 667 CB ALA A 46 -25.428 33.770 -0.388 1.00 10.00 C ATOM 0 H ALA A 46 -27.221 33.261 1.205 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.273 31.939 -1.117 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.583 33.751 -1.076 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.227 34.379 -0.811 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.112 34.197 0.564 1.00 10.00 H new ATOM 673 N TYR A 47 -24.585 31.405 1.668 1.00 10.00 N ATOM 674 CA TYR A 47 -23.690 30.456 2.313 1.00 10.00 C ATOM 675 C TYR A 47 -24.130 29.040 2.081 1.00 10.00 C ATOM 676 O TYR A 47 -23.363 28.244 1.552 1.00 10.00 O ATOM 677 CB TYR A 47 -23.643 30.713 3.808 1.00 10.00 C ATOM 678 CG TYR A 47 -22.811 29.702 4.585 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.426 29.593 4.367 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.449 28.783 5.445 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.683 28.576 4.996 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.706 27.788 6.108 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.316 27.677 5.878 1.00 10.00 C ATOM 684 OH TYR A 47 -20.588 26.707 6.494 1.00 10.00 O ATOM 0 H TYR A 47 -25.034 32.046 2.322 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.701 30.594 1.876 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.239 31.710 3.982 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.660 30.708 4.199 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.929 30.294 3.713 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.517 28.844 5.596 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.625 28.484 4.802 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.197 27.111 6.791 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.175 26.173 7.069 1.00 10.00 H new ATOM 694 N GLN A 48 -25.377 28.745 2.439 1.00 10.00 N ATOM 695 CA GLN A 48 -25.892 27.391 2.351 1.00 10.00 C ATOM 696 C GLN A 48 -25.987 26.921 0.881 1.00 10.00 C ATOM 697 O GLN A 48 -25.887 25.736 0.571 1.00 10.00 O ATOM 698 CB GLN A 48 -27.136 27.229 3.221 1.00 10.00 C ATOM 699 CG GLN A 48 -28.417 27.740 2.599 1.00 10.00 C ATOM 700 CD GLN A 48 -29.197 26.696 1.798 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.633 25.672 2.307 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.415 26.917 0.517 1.00 10.00 N ATOM 0 H GLN A 48 -26.046 29.429 2.792 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.186 26.683 2.785 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.261 26.173 3.459 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.973 27.751 4.164 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -29.060 28.127 3.389 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.178 28.578 1.944 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -29.058 27.766 0.078 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -29.941 26.239 -0.035 1.00 10.00 H new ATOM 711 N SER A 49 -26.091 27.883 -0.041 1.00 10.00 N ATOM 712 CA SER A 49 -25.966 27.677 -1.483 1.00 10.00 C ATOM 713 C SER A 49 -24.546 27.276 -1.866 1.00 10.00 C ATOM 714 O SER A 49 -24.338 26.273 -2.543 1.00 10.00 O ATOM 715 CB SER A 49 -26.316 28.949 -2.289 1.00 10.00 C ATOM 716 OG SER A 49 -27.701 29.225 -2.200 1.00 10.00 O ATOM 0 H SER A 49 -26.270 28.856 0.206 1.00 10.00 H new ATOM 0 HA SER A 49 -26.670 26.881 -1.726 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.745 29.796 -1.909 1.00 10.00 H new ATOM 0 HB3 SER A 49 -26.032 28.815 -3.333 1.00 10.00 H new ATOM 0 HG SER A 49 -27.888 29.691 -1.359 1.00 10.00 H new ATOM 722 N LYS A 50 -23.548 28.035 -1.413 1.00 10.00 N ATOM 723 CA LYS A 50 -22.132 27.807 -1.711 1.00 10.00 C ATOM 724 C LYS A 50 -21.599 26.521 -1.080 1.00 10.00 C ATOM 725 O LYS A 50 -20.854 25.797 -1.722 1.00 10.00 O ATOM 726 CB LYS A 50 -21.348 29.075 -1.324 1.00 10.00 C ATOM 727 CG LYS A 50 -21.724 30.240 -2.257 1.00 10.00 C ATOM 728 CD LYS A 50 -20.609 30.588 -3.228 1.00 10.00 C ATOM 729 CE LYS A 50 -20.280 29.451 -4.198 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.647 29.793 -5.600 1.00 10.00 N ATOM 0 H LYS A 50 -23.705 28.846 -0.814 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.998 27.638 -2.779 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.565 29.344 -0.290 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.277 28.882 -1.385 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.621 29.978 -2.817 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.967 31.118 -1.658 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.895 31.472 -3.798 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.713 30.848 -2.665 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.215 29.227 -4.146 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.811 28.549 -3.894 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.601 28.937 -6.189 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.613 30.177 -5.622 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.983 30.504 -5.969 1.00 10.00 H new ATOM 744 N LEU A 51 -22.061 26.193 0.119 1.00 10.00 N ATOM 745 CA LEU A 51 -21.914 24.940 0.863 1.00 10.00 C ATOM 746 C LEU A 51 -22.387 23.750 0.015 1.00 10.00 C ATOM 747 O LEU A 51 -21.752 22.695 0.017 1.00 10.00 O ATOM 748 CB LEU A 51 -22.723 25.212 2.156 1.00 10.00 C ATOM 749 CG LEU A 51 -23.344 24.124 3.053 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.127 24.849 4.166 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.364 23.212 2.365 1.00 10.00 C ATOM 0 H LEU A 51 -22.607 26.868 0.655 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.891 24.658 1.111 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.068 25.795 2.803 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.545 25.865 1.863 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.515 23.499 3.386 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.585 24.113 4.827 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.446 25.478 4.739 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.904 25.469 3.719 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.741 22.482 3.081 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.192 23.812 1.988 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.886 22.692 1.535 1.00 10.00 H new ATOM 763 N SER A 52 -23.442 23.936 -0.779 1.00 10.00 N ATOM 764 CA SER A 52 -23.882 22.969 -1.774 1.00 10.00 C ATOM 765 C SER A 52 -23.033 22.995 -3.043 1.00 10.00 C ATOM 766 O SER A 52 -22.636 21.938 -3.526 1.00 10.00 O ATOM 767 CB SER A 52 -25.345 23.177 -2.156 1.00 10.00 C ATOM 768 OG SER A 52 -26.204 23.177 -1.024 1.00 10.00 O ATOM 0 H SER A 52 -24.020 24.776 -0.745 1.00 10.00 H new ATOM 0 HA SER A 52 -23.763 21.995 -1.300 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.448 24.123 -2.687 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.654 22.390 -2.844 1.00 10.00 H new ATOM 0 HG SER A 52 -26.085 24.011 -0.523 1.00 10.00 H new ATOM 774 N GLU A 53 -22.677 24.174 -3.563 1.00 10.00 N ATOM 775 CA GLU A 53 -21.806 24.308 -4.727 1.00 10.00 C ATOM 776 C GLU A 53 -20.428 23.664 -4.511 1.00 10.00 C ATOM 777 O GLU A 53 -19.801 23.174 -5.442 1.00 10.00 O ATOM 778 CB GLU A 53 -21.515 25.748 -5.109 1.00 10.00 C ATOM 779 CG GLU A 53 -22.536 26.700 -5.694 1.00 10.00 C ATOM 780 CD GLU A 53 -23.304 26.123 -6.897 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.704 25.991 -7.992 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.516 25.830 -6.764 1.00 10.00 O ATOM 0 H GLU A 53 -22.990 25.067 -3.182 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.370 23.806 -5.513 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.134 26.229 -4.208 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.692 25.711 -5.823 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.249 26.975 -4.917 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -22.031 27.616 -6.002 1.00 10.00 H new ATOM 789 N TYR A 54 -19.927 23.687 -3.282 1.00 10.00 N ATOM 790 CA TYR A 54 -18.673 23.061 -2.892 1.00 10.00 C ATOM 791 C TYR A 54 -18.793 21.534 -2.890 1.00 10.00 C ATOM 792 O TYR A 54 -17.855 20.839 -3.283 1.00 10.00 O ATOM 793 CB TYR A 54 -18.174 23.708 -1.597 1.00 10.00 C ATOM 794 CG TYR A 54 -17.530 22.814 -0.590 1.00 10.00 C ATOM 795 CD1 TYR A 54 -18.335 22.078 0.285 1.00 10.00 C ATOM 796 CD2 TYR A 54 -16.133 22.785 -0.484 1.00 10.00 C ATOM 797 CE1 TYR A 54 -17.744 21.310 1.293 1.00 10.00 C ATOM 798 CE2 TYR A 54 -15.532 22.020 0.524 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.334 21.284 1.430 1.00 10.00 C ATOM 800 OH TYR A 54 -15.763 20.551 2.426 1.00 10.00 O ATOM 0 H TYR A 54 -20.397 24.156 -2.508 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.891 23.244 -3.629 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.459 24.487 -1.863 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -19.020 24.201 -1.118 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -19.410 22.103 0.183 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -15.524 23.349 -1.175 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -18.363 20.736 1.967 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -14.456 21.991 0.610 1.00 10.00 H new ATOM 0 HH TYR A 54 -14.788 20.640 2.380 1.00 10.00 H new ATOM 843 N TYR A 57 -18.585 20.976 -6.583 1.00 10.00 N ATOM 844 CA TYR A 57 -17.164 20.910 -6.912 1.00 10.00 C ATOM 845 C TYR A 57 -16.695 19.452 -6.698 1.00 10.00 C ATOM 846 O TYR A 57 -16.043 18.857 -7.552 1.00 10.00 O ATOM 847 CB TYR A 57 -16.322 21.964 -6.160 1.00 10.00 C ATOM 848 CG TYR A 57 -14.879 21.509 -6.089 1.00 10.00 C ATOM 849 CD1 TYR A 57 -13.986 21.774 -7.145 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.531 20.573 -5.099 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.761 21.082 -7.222 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.345 19.831 -5.209 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.443 20.096 -6.260 1.00 10.00 C ATOM 854 OH TYR A 57 -11.288 19.387 -6.350 1.00 10.00 O ATOM 0 HA TYR A 57 -17.011 21.175 -7.958 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.386 22.925 -6.670 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.717 22.110 -5.155 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.240 22.508 -7.896 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.180 20.424 -4.249 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.064 21.305 -8.017 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -13.123 19.057 -4.489 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.639 19.735 -5.703 1.00 10.00 H new ATOM 864 N ARG A 58 -17.127 18.852 -5.580 1.00 10.00 N ATOM 865 CA ARG A 58 -16.924 17.457 -5.171 1.00 10.00 C ATOM 866 C ARG A 58 -17.554 16.452 -6.144 1.00 10.00 C ATOM 867 O ARG A 58 -16.943 15.436 -6.464 1.00 10.00 O ATOM 868 CB ARG A 58 -17.511 17.307 -3.747 1.00 10.00 C ATOM 869 CG ARG A 58 -16.546 16.860 -2.650 1.00 10.00 C ATOM 870 CD ARG A 58 -15.597 18.015 -2.300 1.00 10.00 C ATOM 871 NE ARG A 58 -14.751 17.712 -1.132 1.00 10.00 N ATOM 872 CZ ARG A 58 -15.095 17.854 0.136 1.00 10.00 C ATOM 873 NH1 ARG A 58 -16.304 18.174 0.502 1.00 10.00 N ATOM 874 NH2 ARG A 58 -14.216 17.679 1.077 1.00 10.00 N ATOM 0 H ARG A 58 -17.668 19.369 -4.887 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.858 17.229 -5.179 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.940 18.265 -3.453 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.331 16.591 -3.791 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -17.103 16.552 -1.765 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.974 15.994 -2.985 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.962 18.233 -3.159 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -16.181 18.913 -2.099 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.812 17.360 -1.320 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -17.027 18.325 -0.202 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -16.528 18.274 1.492 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -13.256 17.431 0.838 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -14.486 17.790 2.054 1.00 10.00 H new ATOM 888 N ASN A 59 -18.752 16.759 -6.646 1.00 10.00 N ATOM 889 CA ASN A 59 -19.499 15.956 -7.614 1.00 10.00 C ATOM 890 C ASN A 59 -18.794 15.915 -8.979 1.00 10.00 C ATOM 891 O ASN A 59 -18.595 14.856 -9.573 1.00 10.00 O ATOM 892 CB ASN A 59 -20.932 16.511 -7.754 1.00 10.00 C ATOM 893 CG ASN A 59 -21.847 15.547 -8.497 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.906 14.359 -8.209 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.584 16.016 -9.478 1.00 10.00 N ATOM 0 H ASN A 59 -19.248 17.609 -6.378 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.546 14.931 -7.245 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.342 16.710 -6.764 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.902 17.463 -8.284 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.202 15.391 -9.996 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.539 17.005 -9.722 1.00 10.00 H new ATOM 902 N ALA A 60 -18.355 17.084 -9.442 1.00 10.00 N ATOM 903 CA ALA A 60 -17.511 17.273 -10.608 1.00 10.00 C ATOM 904 C ALA A 60 -16.155 16.579 -10.429 1.00 10.00 C ATOM 905 O ALA A 60 -15.699 15.880 -11.333 1.00 10.00 O ATOM 906 CB ALA A 60 -17.393 18.784 -10.844 1.00 10.00 C ATOM 0 H ALA A 60 -18.593 17.965 -8.987 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.949 16.809 -11.492 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.764 18.968 -11.715 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.384 19.204 -11.017 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.947 19.255 -9.968 1.00 10.00 H new ATOM 912 N GLN A 61 -15.584 16.626 -9.221 1.00 10.00 N ATOM 913 CA GLN A 61 -14.415 15.859 -8.784 1.00 10.00 C ATOM 914 C GLN A 61 -14.715 14.391 -8.412 1.00 10.00 C ATOM 915 O GLN A 61 -14.089 13.761 -7.560 1.00 10.00 O ATOM 916 CB GLN A 61 -13.637 16.625 -7.733 1.00 10.00 C ATOM 917 CG GLN A 61 -12.144 16.220 -7.740 1.00 10.00 C ATOM 918 CD GLN A 61 -11.297 16.859 -8.846 1.00 10.00 C ATOM 919 OE1 GLN A 61 -10.437 16.221 -9.440 1.00 10.00 O ATOM 920 NE2 GLN A 61 -11.487 18.118 -9.182 1.00 10.00 N ATOM 0 H GLN A 61 -15.944 17.232 -8.484 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.763 15.753 -9.651 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.727 17.695 -7.917 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.064 16.434 -6.749 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.709 16.481 -6.775 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -12.079 15.136 -7.836 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -12.197 18.672 -8.703 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -10.924 18.539 -9.921 1.00 10.00 H new ATOM 929 N SER A 62 -15.714 13.867 -9.103 1.00 10.00 N ATOM 930 CA SER A 62 -16.142 12.475 -9.210 1.00 10.00 C ATOM 931 C SER A 62 -16.633 12.167 -10.640 1.00 10.00 C ATOM 932 O SER A 62 -17.209 11.112 -10.907 1.00 10.00 O ATOM 933 CB SER A 62 -17.178 12.163 -8.136 1.00 10.00 C ATOM 934 OG SER A 62 -17.297 10.759 -7.954 1.00 10.00 O ATOM 0 H SER A 62 -16.313 14.471 -9.666 1.00 10.00 H new ATOM 0 HA SER A 62 -15.294 11.814 -9.031 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.890 12.635 -7.196 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.143 12.582 -8.420 1.00 10.00 H new ATOM 0 HG SER A 62 -17.964 10.574 -7.261 1.00 10.00 H new ATOM 940 N ASN A 63 -16.335 13.073 -11.583 1.00 10.00 N ATOM 941 CA ASN A 63 -16.648 13.027 -13.004 1.00 10.00 C ATOM 942 C ASN A 63 -15.385 13.186 -13.854 1.00 10.00 C ATOM 943 O ASN A 63 -15.073 12.363 -14.706 1.00 10.00 O ATOM 944 CB ASN A 63 -17.685 14.131 -13.274 1.00 10.00 C ATOM 945 CG ASN A 63 -18.557 13.813 -14.475 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.186 14.045 -15.617 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.731 13.264 -14.263 1.00 10.00 N ATOM 0 H ASN A 63 -15.827 13.924 -11.343 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.064 12.059 -13.282 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.314 14.260 -12.393 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.171 15.078 -13.440 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.335 13.031 -15.051 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.039 13.071 -13.310 1.00 10.00 H new ATOM 954 N THR A 64 -14.581 14.188 -13.518 1.00 10.00 N ATOM 955 CA THR A 64 -13.215 14.410 -14.018 1.00 10.00 C ATOM 956 C THR A 64 -12.276 13.227 -13.778 1.00 10.00 C ATOM 957 O THR A 64 -11.447 12.839 -14.589 1.00 10.00 O ATOM 958 CB THR A 64 -12.675 15.656 -13.332 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.436 16.058 -13.858 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.594 15.483 -11.820 1.00 10.00 C ATOM 0 H THR A 64 -14.872 14.908 -12.857 1.00 10.00 H new ATOM 0 HA THR A 64 -13.261 14.530 -15.100 1.00 10.00 H new ATOM 0 HB THR A 64 -13.390 16.453 -13.538 1.00 10.00 H new ATOM 0 HG1 THR A 64 -10.724 15.497 -13.484 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.204 16.396 -11.370 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.589 15.279 -11.423 1.00 10.00 H new ATOM 0 HG23 THR A 64 -11.932 14.650 -11.584 1.00 10.00 H new ATOM 968 N VAL A 65 -12.510 12.564 -12.662 1.00 10.00 N ATOM 969 CA VAL A 65 -11.931 11.305 -12.195 1.00 10.00 C ATOM 970 C VAL A 65 -12.109 10.175 -13.218 1.00 10.00 C ATOM 971 O VAL A 65 -11.206 9.377 -13.464 1.00 10.00 O ATOM 972 CB VAL A 65 -12.635 10.961 -10.869 1.00 10.00 C ATOM 973 CG1 VAL A 65 -11.823 9.964 -10.056 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.860 12.202 -10.009 1.00 10.00 C ATOM 0 H VAL A 65 -13.180 12.927 -11.984 1.00 10.00 H new ATOM 0 HA VAL A 65 -10.855 11.415 -12.056 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.597 10.526 -11.139 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.346 9.741 -9.126 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -11.695 9.046 -10.629 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -10.845 10.390 -9.830 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.359 11.917 -9.083 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -11.900 12.663 -9.777 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.482 12.913 -10.552 1.00 10.00 H new ATOM 984 N LYS A 66 -13.274 10.179 -13.875 1.00 10.00 N ATOM 985 CA LYS A 66 -13.727 9.313 -14.960 1.00 10.00 C ATOM 986 C LYS A 66 -13.408 9.887 -16.363 1.00 10.00 C ATOM 987 O LYS A 66 -13.825 9.326 -17.375 1.00 10.00 O ATOM 988 CB LYS A 66 -15.238 9.077 -14.751 1.00 10.00 C ATOM 989 CG LYS A 66 -15.616 8.014 -13.703 1.00 10.00 C ATOM 990 CD LYS A 66 -15.467 8.508 -12.254 1.00 10.00 C ATOM 991 CE LYS A 66 -16.399 7.735 -11.310 1.00 10.00 C ATOM 992 NZ LYS A 66 -16.553 8.421 -9.999 1.00 10.00 N ATOM 0 H LYS A 66 -13.994 10.860 -13.632 1.00 10.00 H new ATOM 0 HA LYS A 66 -13.187 8.367 -14.928 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -15.697 10.023 -14.462 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -15.676 8.789 -15.706 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -16.647 7.701 -13.869 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -14.989 7.134 -13.846 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.433 8.387 -11.929 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.695 9.573 -12.204 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -17.377 7.622 -11.778 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -16.004 6.732 -11.151 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.314 7.965 -9.456 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -15.662 8.357 -9.467 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -16.791 9.421 -10.156 1.00 10.00 H new ATOM 1006 N VAL A 67 -12.616 10.964 -16.433 1.00 10.00 N ATOM 1007 CA VAL A 67 -12.123 11.670 -17.622 1.00 10.00 C ATOM 1008 C VAL A 67 -10.607 11.605 -17.716 1.00 10.00 C ATOM 1009 O VAL A 67 -10.059 11.459 -18.803 1.00 10.00 O ATOM 1010 CB VAL A 67 -12.635 13.107 -17.590 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -11.870 14.072 -18.475 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -14.115 13.077 -17.916 1.00 10.00 C ATOM 0 H VAL A 67 -12.272 11.404 -15.579 1.00 10.00 H new ATOM 0 HA VAL A 67 -12.503 11.182 -18.519 1.00 10.00 H new ATOM 0 HB VAL A 67 -12.468 13.504 -16.589 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -12.304 15.068 -18.388 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -10.826 14.103 -18.163 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -11.929 13.740 -19.512 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -14.512 14.092 -17.901 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -14.261 12.645 -18.906 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -14.638 12.472 -17.176 1.00 10.00 H new ATOM 1022 N PHE A 68 -9.913 11.635 -16.584 1.00 10.00 N ATOM 1023 CA PHE A 68 -8.499 11.307 -16.506 1.00 10.00 C ATOM 1024 C PHE A 68 -8.342 9.814 -16.884 1.00 10.00 C ATOM 1025 O PHE A 68 -7.292 9.374 -17.331 1.00 10.00 O ATOM 1026 CB PHE A 68 -7.996 11.615 -15.098 1.00 10.00 C ATOM 1027 CG PHE A 68 -7.904 13.093 -14.746 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -7.110 13.962 -15.520 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -8.596 13.599 -13.628 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.026 15.328 -15.192 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.517 14.965 -13.303 1.00 10.00 C ATOM 1032 CZ PHE A 68 -7.734 15.830 -14.086 1.00 10.00 C ATOM 0 H PHE A 68 -10.323 11.891 -15.686 1.00 10.00 H new ATOM 0 HA PHE A 68 -7.900 11.901 -17.196 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -8.656 11.128 -14.380 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -7.009 11.168 -14.977 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -6.563 13.578 -16.369 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.190 12.935 -13.018 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -6.418 15.991 -15.790 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.058 15.349 -12.451 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.676 16.880 -13.838 1.00 10.00 H new