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= 0.0726 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -168:sc= 0.0742 (180deg=0) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0.264 USER MOD Set 2.2: A 61 GLN : amide:sc= 0.0571 X(o=0.32,f=-0.023) USER MOD Set 3.1: A 24 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Set 3.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 26 GLN : amide:sc= 1.42 K(o=2.5,f=-2) USER MOD Set 4.2: A 50 LYS NZ :NH3+ -153:sc= 1.08 (180deg=0) 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 180:sc= 0 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=-0.3) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 49:sc= 1.18 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=-0.00618 X(o=-0.0062,f=-0.14) USER MOD Single : A 49 SER OG : rot 70:sc= 1.05 USER MOD Single : A 52 SER OG : rot 78:sc= 0.503 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 63 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.5!) USER MOD Single : A 64 THR OG1 : rot -66:sc= 0.343 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -6.866 5.281 0.860 1.00 10.00 N ATOM 59 CA TRP A 5 -6.304 6.633 0.728 1.00 10.00 C ATOM 60 C TRP A 5 -5.620 7.175 1.990 1.00 10.00 C ATOM 61 O TRP A 5 -4.767 8.050 1.881 1.00 10.00 O ATOM 62 CB TRP A 5 -7.382 7.609 0.230 1.00 10.00 C ATOM 63 CG TRP A 5 -8.416 8.096 1.209 1.00 10.00 C ATOM 64 CD1 TRP A 5 -9.022 7.371 2.181 1.00 10.00 C ATOM 65 CD2 TRP A 5 -9.000 9.436 1.302 1.00 10.00 C ATOM 66 NE1 TRP A 5 -9.907 8.169 2.879 1.00 10.00 N ATOM 67 CE2 TRP A 5 -9.941 9.451 2.376 1.00 10.00 C ATOM 68 CE3 TRP A 5 -8.839 10.639 0.577 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -10.675 10.596 2.720 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -9.581 11.793 0.907 1.00 10.00 C ATOM 71 CH2 TRP A 5 -10.493 11.775 1.978 1.00 10.00 C ATOM 0 HA TRP A 5 -5.505 6.547 -0.009 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -6.875 8.483 -0.179 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -7.907 7.130 -0.596 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -8.840 6.325 2.380 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -10.466 7.849 3.669 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -8.137 10.675 -0.243 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -11.371 10.571 3.545 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -9.448 12.698 0.332 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -11.051 12.665 2.229 1.00 10.00 H new ATOM 82 N SER A 6 -5.915 6.640 3.177 1.00 10.00 N ATOM 83 CA SER A 6 -5.326 7.059 4.460 1.00 10.00 C ATOM 84 C SER A 6 -3.792 6.938 4.526 1.00 10.00 C ATOM 85 O SER A 6 -3.156 7.656 5.299 1.00 10.00 O ATOM 86 CB SER A 6 -5.944 6.237 5.598 1.00 10.00 C ATOM 87 OG SER A 6 -7.365 6.289 5.557 1.00 10.00 O ATOM 0 H SER A 6 -6.589 5.881 3.280 1.00 10.00 H new ATOM 0 HA SER A 6 -5.554 8.120 4.562 1.00 10.00 H new ATOM 0 HB2 SER A 6 -5.613 5.201 5.523 1.00 10.00 H new ATOM 0 HB3 SER A 6 -5.591 6.616 6.557 1.00 10.00 H new ATOM 0 HG SER A 6 -7.733 5.755 6.292 1.00 10.00 H new ATOM 93 N GLY A 7 -3.184 6.081 3.695 1.00 10.00 N ATOM 94 CA GLY A 7 -1.724 5.940 3.559 1.00 10.00 C ATOM 95 C GLY A 7 -1.074 6.904 2.549 1.00 10.00 C ATOM 96 O GLY A 7 0.152 6.917 2.414 1.00 10.00 O ATOM 0 H GLY A 7 -3.703 5.451 3.084 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -1.265 6.096 4.536 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -1.498 4.916 3.260 1.00 10.00 H new ATOM 100 N TYR A 8 -1.882 7.707 1.849 1.00 10.00 N ATOM 101 CA TYR A 8 -1.527 8.550 0.707 1.00 10.00 C ATOM 102 C TYR A 8 -2.262 9.912 0.706 1.00 10.00 C ATOM 103 O TYR A 8 -2.180 10.678 -0.257 1.00 10.00 O ATOM 104 CB TYR A 8 -1.864 7.770 -0.579 1.00 10.00 C ATOM 105 CG TYR A 8 -1.199 6.410 -0.707 1.00 10.00 C ATOM 106 CD1 TYR A 8 0.148 6.321 -1.110 1.00 10.00 C ATOM 107 CD2 TYR A 8 -1.924 5.236 -0.416 1.00 10.00 C ATOM 108 CE1 TYR A 8 0.772 5.062 -1.217 1.00 10.00 C ATOM 109 CE2 TYR A 8 -1.303 3.976 -0.520 1.00 10.00 C ATOM 110 CZ TYR A 8 0.049 3.886 -0.922 1.00 10.00 C ATOM 111 OH TYR A 8 0.660 2.674 -1.026 1.00 10.00 O ATOM 0 H TYR A 8 -2.871 7.789 2.084 1.00 10.00 H new ATOM 0 HA TYR A 8 -0.463 8.780 0.769 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -2.944 7.634 -0.629 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -1.579 8.378 -1.438 1.00 10.00 H new ATOM 0 HD1 TYR A 8 0.703 7.219 -1.337 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -2.958 5.303 -0.113 1.00 10.00 H new ATOM 0 HE1 TYR A 8 1.805 4.997 -1.525 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -1.860 3.079 -0.293 1.00 10.00 H new ATOM 0 HH TYR A 8 0.026 1.966 -0.787 1.00 10.00 H new ATOM 121 N LEU A 9 -2.994 10.218 1.783 1.00 10.00 N ATOM 122 CA LEU A 9 -3.940 11.329 1.901 1.00 10.00 C ATOM 123 C LEU A 9 -3.396 12.683 1.437 1.00 10.00 C ATOM 124 O LEU A 9 -4.012 13.346 0.604 1.00 10.00 O ATOM 125 CB LEU A 9 -4.453 11.356 3.356 1.00 10.00 C ATOM 126 CG LEU A 9 -5.333 12.571 3.700 1.00 10.00 C ATOM 127 CD1 LEU A 9 -6.565 12.679 2.809 1.00 10.00 C ATOM 128 CD2 LEU A 9 -5.787 12.507 5.158 1.00 10.00 C ATOM 0 H LEU A 9 -2.938 9.667 2.640 1.00 10.00 H new ATOM 0 HA LEU A 9 -4.765 11.153 1.211 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -5.023 10.446 3.544 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -3.597 11.341 4.030 1.00 10.00 H new ATOM 0 HG LEU A 9 -4.715 13.452 3.531 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -7.147 13.554 3.098 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -6.254 12.777 1.769 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -7.176 11.783 2.922 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -6.408 13.374 5.384 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -6.363 11.596 5.320 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -4.914 12.506 5.811 1.00 10.00 H new ATOM 140 N ASP A 10 -2.229 13.075 1.935 1.00 10.00 N ATOM 141 CA ASP A 10 -1.601 14.370 1.649 1.00 10.00 C ATOM 142 C ASP A 10 -0.965 14.475 0.240 1.00 10.00 C ATOM 143 O ASP A 10 -0.269 15.444 -0.067 1.00 10.00 O ATOM 144 CB ASP A 10 -0.598 14.706 2.766 1.00 10.00 C ATOM 145 CG ASP A 10 0.644 13.795 2.757 1.00 10.00 C ATOM 146 OD1 ASP A 10 0.507 12.579 3.032 1.00 10.00 O ATOM 147 OD2 ASP A 10 1.770 14.295 2.510 1.00 10.00 O ATOM 0 H ASP A 10 -1.677 12.492 2.564 1.00 10.00 H new ATOM 0 HA ASP A 10 -2.395 15.116 1.634 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -0.281 15.744 2.661 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -1.097 14.621 3.732 1.00 10.00 H new ATOM 152 N ASP A 11 -1.228 13.495 -0.627 1.00 10.00 N ATOM 153 CA ASP A 11 -0.916 13.499 -2.063 1.00 10.00 C ATOM 154 C ASP A 11 -2.182 13.284 -2.912 1.00 10.00 C ATOM 155 O ASP A 11 -2.321 13.865 -3.989 1.00 10.00 O ATOM 156 CB ASP A 11 0.161 12.448 -2.358 1.00 10.00 C ATOM 157 CG ASP A 11 0.631 12.504 -3.822 1.00 10.00 C ATOM 158 OD1 ASP A 11 1.347 13.467 -4.191 1.00 10.00 O ATOM 159 OD2 ASP A 11 0.312 11.575 -4.601 1.00 10.00 O ATOM 0 H ASP A 11 -1.687 12.633 -0.335 1.00 10.00 H new ATOM 0 HA ASP A 11 -0.523 14.478 -2.339 1.00 10.00 H new ATOM 0 HB2 ASP A 11 1.013 12.606 -1.697 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -0.232 11.455 -2.140 1.00 10.00 H new ATOM 164 N VAL A 12 -3.140 12.517 -2.390 1.00 10.00 N ATOM 165 CA VAL A 12 -4.401 12.158 -3.036 1.00 10.00 C ATOM 166 C VAL A 12 -5.450 13.250 -2.880 1.00 10.00 C ATOM 167 O VAL A 12 -5.875 13.837 -3.870 1.00 10.00 O ATOM 168 CB VAL A 12 -4.885 10.816 -2.458 1.00 10.00 C ATOM 169 CG1 VAL A 12 -6.315 10.453 -2.874 1.00 10.00 C ATOM 170 CG2 VAL A 12 -3.933 9.714 -2.938 1.00 10.00 C ATOM 0 H VAL A 12 -3.052 12.110 -1.459 1.00 10.00 H new ATOM 0 HA VAL A 12 -4.237 12.052 -4.108 1.00 10.00 H new ATOM 0 HB VAL A 12 -4.888 10.911 -1.372 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -6.591 9.496 -2.431 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -7.002 11.225 -2.527 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -6.370 10.380 -3.960 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -4.258 8.753 -2.539 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -3.940 9.676 -4.027 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -2.923 9.928 -2.589 1.00 10.00 H new ATOM 180 N SER A 13 -5.823 13.572 -1.642 1.00 10.00 N ATOM 181 CA SER A 13 -6.699 14.701 -1.321 1.00 10.00 C ATOM 182 C SER A 13 -6.078 16.016 -1.768 1.00 10.00 C ATOM 183 O SER A 13 -6.741 16.895 -2.319 1.00 10.00 O ATOM 184 CB SER A 13 -6.956 14.743 0.182 1.00 10.00 C ATOM 185 OG SER A 13 -7.849 15.790 0.516 1.00 10.00 O ATOM 0 H SER A 13 -5.521 13.048 -0.820 1.00 10.00 H new ATOM 0 HA SER A 13 -7.641 14.565 -1.852 1.00 10.00 H new ATOM 0 HB2 SER A 13 -7.369 13.789 0.510 1.00 10.00 H new ATOM 0 HB3 SER A 13 -6.014 14.881 0.712 1.00 10.00 H new ATOM 0 HG SER A 13 -7.999 15.795 1.484 1.00 10.00 H new ATOM 191 N ALA A 14 -4.765 16.122 -1.584 1.00 10.00 N ATOM 192 CA ALA A 14 -4.040 17.348 -1.827 1.00 10.00 C ATOM 193 C ALA A 14 -4.050 17.814 -3.298 1.00 10.00 C ATOM 194 O ALA A 14 -3.987 19.017 -3.562 1.00 10.00 O ATOM 195 CB ALA A 14 -2.627 17.163 -1.326 1.00 10.00 C ATOM 0 H ALA A 14 -4.179 15.352 -1.261 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.549 18.146 -1.286 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -2.057 18.076 -1.498 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -2.645 16.942 -0.259 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -2.157 16.337 -1.859 1.00 10.00 H new ATOM 201 N LYS A 15 -4.176 16.881 -4.258 1.00 10.00 N ATOM 202 CA LYS A 15 -4.341 17.178 -5.691 1.00 10.00 C ATOM 203 C LYS A 15 -5.585 18.032 -5.983 1.00 10.00 C ATOM 204 O LYS A 15 -5.599 18.829 -6.920 1.00 10.00 O ATOM 205 CB LYS A 15 -4.276 15.874 -6.514 1.00 10.00 C ATOM 206 CG LYS A 15 -5.627 15.242 -6.891 1.00 10.00 C ATOM 207 CD LYS A 15 -5.443 13.825 -7.454 1.00 10.00 C ATOM 208 CE LYS A 15 -4.666 13.814 -8.777 1.00 10.00 C ATOM 209 NZ LYS A 15 -4.551 12.440 -9.332 1.00 10.00 N ATOM 0 H LYS A 15 -4.166 15.881 -4.055 1.00 10.00 H new ATOM 0 HA LYS A 15 -3.507 17.803 -6.009 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -3.724 16.075 -7.432 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -3.700 15.141 -5.950 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -6.272 15.206 -6.013 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.130 15.867 -7.630 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -4.916 13.212 -6.722 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.421 13.369 -7.607 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -5.167 14.458 -9.499 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -3.670 14.228 -8.618 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -4.020 12.470 -10.226 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.051 11.832 -8.653 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -5.501 12.055 -9.506 1.00 10.00 H new ATOM 223 N PHE A 16 -6.603 17.883 -5.136 1.00 10.00 N ATOM 224 CA PHE A 16 -7.866 18.606 -5.128 1.00 10.00 C ATOM 225 C PHE A 16 -7.854 19.818 -4.185 1.00 10.00 C ATOM 226 O PHE A 16 -8.541 20.805 -4.442 1.00 10.00 O ATOM 227 CB PHE A 16 -8.971 17.625 -4.713 1.00 10.00 C ATOM 228 CG PHE A 16 -8.922 16.270 -5.395 1.00 10.00 C ATOM 229 CD1 PHE A 16 -9.033 16.164 -6.792 1.00 10.00 C ATOM 230 CD2 PHE A 16 -8.738 15.108 -4.624 1.00 10.00 C ATOM 231 CE1 PHE A 16 -9.055 14.897 -7.406 1.00 10.00 C ATOM 232 CE2 PHE A 16 -8.771 13.840 -5.233 1.00 10.00 C ATOM 233 CZ PHE A 16 -8.952 13.735 -6.623 1.00 10.00 C ATOM 0 H PHE A 16 -6.558 17.199 -4.380 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.043 19.001 -6.128 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -8.914 17.474 -3.635 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -9.938 18.083 -4.920 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -9.102 17.057 -7.396 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -8.571 15.189 -3.560 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -9.151 14.818 -8.479 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -8.657 12.949 -4.633 1.00 10.00 H new ATOM 0 HZ PHE A 16 -9.012 12.762 -7.088 1.00 10.00 H new ATOM 243 N ASP A 17 -7.054 19.765 -3.113 1.00 10.00 N ATOM 244 CA ASP A 17 -7.050 20.719 -1.995 1.00 10.00 C ATOM 245 C ASP A 17 -6.831 22.201 -2.370 1.00 10.00 C ATOM 246 O ASP A 17 -7.216 23.081 -1.605 1.00 10.00 O ATOM 247 CB ASP A 17 -6.038 20.260 -0.938 1.00 10.00 C ATOM 248 CG ASP A 17 -6.090 21.089 0.358 1.00 10.00 C ATOM 249 OD1 ASP A 17 -7.088 20.978 1.108 1.00 10.00 O ATOM 250 OD2 ASP A 17 -5.106 21.810 0.656 1.00 10.00 O ATOM 0 H ASP A 17 -6.362 19.025 -2.995 1.00 10.00 H new ATOM 0 HA ASP A 17 -8.064 20.705 -1.596 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -6.223 19.213 -0.699 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.034 20.318 -1.358 1.00 10.00 H new ATOM 255 N THR A 18 -6.273 22.498 -3.548 1.00 10.00 N ATOM 256 CA THR A 18 -6.080 23.862 -4.059 1.00 10.00 C ATOM 257 C THR A 18 -7.207 24.352 -4.990 1.00 10.00 C ATOM 258 O THR A 18 -7.479 25.553 -5.061 1.00 10.00 O ATOM 259 CB THR A 18 -4.698 23.972 -4.716 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.302 25.321 -4.832 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.660 23.341 -6.106 1.00 10.00 C ATOM 0 H THR A 18 -5.934 21.781 -4.189 1.00 10.00 H new ATOM 0 HA THR A 18 -6.128 24.536 -3.203 1.00 10.00 H new ATOM 0 HB THR A 18 -4.012 23.429 -4.066 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.418 25.367 -5.252 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.660 23.446 -6.526 1.00 10.00 H new ATOM 0 HG22 THR A 18 -4.913 22.283 -6.033 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.380 23.842 -6.753 1.00 10.00 H new ATOM 269 N GLY A 19 -7.921 23.440 -5.668 1.00 10.00 N ATOM 270 CA GLY A 19 -9.069 23.770 -6.531 1.00 10.00 C ATOM 271 C GLY A 19 -10.374 23.805 -5.740 1.00 10.00 C ATOM 272 O GLY A 19 -11.167 24.731 -5.895 1.00 10.00 O ATOM 0 H GLY A 19 -7.716 22.441 -5.633 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -8.903 24.738 -7.004 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.147 23.034 -7.331 1.00 10.00 H new ATOM 292 N ASP A 21 -10.362 24.619 -2.740 1.00 10.00 N ATOM 293 CA ASP A 21 -10.129 25.842 -2.012 1.00 10.00 C ATOM 294 C ASP A 21 -10.592 27.090 -2.757 1.00 10.00 C ATOM 295 O ASP A 21 -10.964 28.054 -2.101 1.00 10.00 O ATOM 296 CB ASP A 21 -8.681 25.865 -1.556 1.00 10.00 C ATOM 297 CG ASP A 21 -8.228 27.211 -0.968 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.525 27.480 0.221 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.546 27.987 -1.679 1.00 10.00 O ATOM 0 HA ASP A 21 -10.757 25.861 -1.121 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.535 25.086 -0.807 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.041 25.617 -2.403 1.00 10.00 H new ATOM 304 N ASN A 22 -10.692 27.075 -4.088 1.00 10.00 N ATOM 305 CA ASN A 22 -11.360 28.154 -4.803 1.00 10.00 C ATOM 306 C ASN A 22 -12.876 28.119 -4.558 1.00 10.00 C ATOM 307 O ASN A 22 -13.544 29.145 -4.724 1.00 10.00 O ATOM 308 CB ASN A 22 -11.103 28.065 -6.310 1.00 10.00 C ATOM 309 CG ASN A 22 -9.652 28.283 -6.713 1.00 10.00 C ATOM 310 OD1 ASN A 22 -8.921 29.073 -6.131 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.194 27.607 -7.743 1.00 10.00 N ATOM 0 H ASN A 22 -10.322 26.334 -4.683 1.00 10.00 H new ATOM 0 HA ASN A 22 -10.950 29.090 -4.423 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.422 27.085 -6.664 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -11.723 28.804 -6.817 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.232 27.742 -8.055 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -9.800 26.948 -8.231 1.00 10.00 H new ATOM 318 N LEU A 23 -13.430 26.952 -4.192 1.00 10.00 N ATOM 319 CA LEU A 23 -14.793 26.830 -3.707 1.00 10.00 C ATOM 320 C LEU A 23 -14.900 27.092 -2.190 1.00 10.00 C ATOM 321 O LEU A 23 -15.734 27.886 -1.772 1.00 10.00 O ATOM 322 CB LEU A 23 -15.541 25.610 -4.316 1.00 10.00 C ATOM 323 CG LEU A 23 -16.796 26.184 -5.037 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.587 25.414 -6.088 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.879 26.524 -4.036 1.00 10.00 C ATOM 0 H LEU A 23 -12.930 26.064 -4.229 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.393 27.649 -4.104 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.902 25.072 -5.016 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.829 24.902 -3.539 1.00 10.00 H new ATOM 0 HG LEU A 23 -16.272 26.978 -5.569 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.416 26.027 -6.441 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -16.935 25.168 -6.926 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.976 24.495 -5.649 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.747 26.923 -4.561 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -18.166 25.625 -3.491 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -17.505 27.269 -3.334 1.00 10.00 H new ATOM 337 N GLN A 24 -13.984 26.575 -1.370 1.00 10.00 N ATOM 338 CA GLN A 24 -13.856 26.829 0.066 1.00 10.00 C ATOM 339 C GLN A 24 -13.730 28.320 0.369 1.00 10.00 C ATOM 340 O GLN A 24 -14.435 28.814 1.234 1.00 10.00 O ATOM 341 CB GLN A 24 -12.612 26.124 0.627 1.00 10.00 C ATOM 342 CG GLN A 24 -12.583 25.958 2.146 1.00 10.00 C ATOM 343 CD GLN A 24 -13.448 24.804 2.648 1.00 10.00 C ATOM 344 OE1 GLN A 24 -13.061 23.644 2.611 1.00 10.00 O ATOM 345 NE2 GLN A 24 -14.637 25.069 3.149 1.00 10.00 N ATOM 0 H GLN A 24 -13.270 25.930 -1.710 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.761 26.442 0.535 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.536 25.138 0.169 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.729 26.685 0.323 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.554 25.797 2.467 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.920 26.884 2.612 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -14.972 26.032 3.186 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -15.223 24.311 3.500 1.00 10.00 H new ATOM 354 N THR A 25 -12.863 29.048 -0.336 1.00 10.00 N ATOM 355 CA THR A 25 -12.679 30.494 -0.188 1.00 10.00 C ATOM 356 C THR A 25 -14.000 31.211 -0.426 1.00 10.00 C ATOM 357 O THR A 25 -14.461 31.986 0.400 1.00 10.00 O ATOM 358 CB THR A 25 -11.534 30.986 -1.087 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.073 32.242 -0.639 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.843 31.092 -2.576 1.00 10.00 C ATOM 0 H THR A 25 -12.253 28.639 -1.044 1.00 10.00 H new ATOM 0 HA THR A 25 -12.378 30.731 0.832 1.00 10.00 H new ATOM 0 HB THR A 25 -10.777 30.207 -0.997 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.342 32.547 -1.216 1.00 10.00 H new ATOM 0 HG21 THR A 25 -10.960 31.449 -3.106 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.125 30.112 -2.960 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.665 31.791 -2.728 1.00 10.00 H new ATOM 368 N GLN A 26 -14.700 30.807 -1.480 1.00 10.00 N ATOM 369 CA GLN A 26 -16.046 31.251 -1.825 1.00 10.00 C ATOM 370 C GLN A 26 -17.100 30.966 -0.744 1.00 10.00 C ATOM 371 O GLN A 26 -17.821 31.885 -0.347 1.00 10.00 O ATOM 372 CB GLN A 26 -16.423 30.623 -3.176 1.00 10.00 C ATOM 373 CG GLN A 26 -16.577 31.667 -4.286 1.00 10.00 C ATOM 374 CD GLN A 26 -16.814 31.016 -5.646 1.00 10.00 C ATOM 375 OE1 GLN A 26 -17.881 31.134 -6.236 1.00 10.00 O ATOM 376 NE2 GLN A 26 -15.867 30.274 -6.179 1.00 10.00 N ATOM 0 H GLN A 26 -14.328 30.131 -2.147 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.036 32.338 -1.899 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.658 29.902 -3.464 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.357 30.071 -3.069 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.410 32.329 -4.050 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.681 32.286 -4.330 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.973 30.166 -5.700 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.027 29.807 -7.071 1.00 10.00 H new ATOM 385 N VAL A 27 -17.193 29.736 -0.223 1.00 10.00 N ATOM 386 CA VAL A 27 -18.120 29.421 0.871 1.00 10.00 C ATOM 387 C VAL A 27 -17.739 30.181 2.132 1.00 10.00 C ATOM 388 O VAL A 27 -18.590 30.668 2.864 1.00 10.00 O ATOM 389 CB VAL A 27 -18.260 27.923 1.223 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.163 26.990 0.016 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.339 27.324 2.289 1.00 10.00 C ATOM 0 H VAL A 27 -16.637 28.942 -0.542 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.091 29.734 0.488 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.262 27.966 1.649 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.271 25.957 0.345 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -18.955 27.229 -0.693 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.194 27.118 -0.466 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.568 26.266 2.415 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.301 27.436 1.977 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.492 27.843 3.235 1.00 10.00 H new ATOM 401 N THR A 28 -16.442 30.309 2.388 1.00 10.00 N ATOM 402 CA THR A 28 -15.918 31.019 3.538 1.00 10.00 C ATOM 403 C THR A 28 -16.177 32.505 3.430 1.00 10.00 C ATOM 404 O THR A 28 -16.279 33.176 4.442 1.00 10.00 O ATOM 405 CB THR A 28 -14.416 30.855 3.709 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.029 29.499 3.747 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.971 31.464 5.021 1.00 10.00 C ATOM 0 H THR A 28 -15.717 29.914 1.789 1.00 10.00 H new ATOM 0 HA THR A 28 -16.435 30.582 4.392 1.00 10.00 H new ATOM 0 HB THR A 28 -13.957 31.349 2.853 1.00 10.00 H new ATOM 0 HG1 THR A 28 -14.443 29.020 2.999 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.894 31.341 5.133 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.218 32.526 5.032 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.481 30.965 5.845 1.00 10.00 H new ATOM 415 N GLU A 29 -16.288 33.057 2.232 1.00 10.00 N ATOM 416 CA GLU A 29 -16.643 34.447 2.078 1.00 10.00 C ATOM 417 C GLU A 29 -18.164 34.650 2.233 1.00 10.00 C ATOM 418 O GLU A 29 -18.596 35.691 2.716 1.00 10.00 O ATOM 419 CB GLU A 29 -16.076 35.013 0.794 1.00 10.00 C ATOM 420 CG GLU A 29 -14.556 35.200 0.900 1.00 10.00 C ATOM 421 CD GLU A 29 -13.982 35.883 -0.357 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.049 35.298 -1.466 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.460 37.020 -0.246 1.00 10.00 O ATOM 0 H GLU A 29 -16.136 32.558 1.355 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.184 35.022 2.883 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.307 34.345 -0.036 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.549 35.970 0.574 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.323 35.800 1.780 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.078 34.230 1.039 1.00 10.00 H new ATOM 430 N ALA A 30 -18.995 33.658 1.890 1.00 10.00 N ATOM 431 CA ALA A 30 -20.415 33.654 2.246 1.00 10.00 C ATOM 432 C ALA A 30 -20.553 33.604 3.774 1.00 10.00 C ATOM 433 O ALA A 30 -21.351 34.313 4.383 1.00 10.00 O ATOM 434 CB ALA A 30 -21.102 32.444 1.613 1.00 10.00 C ATOM 0 H ALA A 30 -18.701 32.838 1.359 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.891 34.561 1.873 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.159 32.444 1.880 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.002 32.495 0.529 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.636 31.529 1.978 1.00 10.00 H new ATOM 440 N LEU A 31 -19.695 32.803 4.398 1.00 10.00 N ATOM 441 CA LEU A 31 -19.488 32.747 5.824 1.00 10.00 C ATOM 442 C LEU A 31 -18.838 34.018 6.391 1.00 10.00 C ATOM 443 O LEU A 31 -19.133 34.369 7.518 1.00 10.00 O ATOM 444 CB LEU A 31 -18.626 31.527 6.115 1.00 10.00 C ATOM 445 CG LEU A 31 -18.464 31.262 7.607 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.661 30.485 8.135 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.161 30.514 7.795 1.00 10.00 C ATOM 0 H LEU A 31 -19.101 32.147 3.890 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.458 32.673 6.315 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -19.071 30.652 5.641 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.643 31.667 5.666 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.428 32.191 8.175 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.534 30.302 9.202 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.571 31.063 7.972 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.737 29.533 7.610 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -17.010 30.306 8.854 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.197 29.575 7.242 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.336 31.122 7.424 1.00 10.00 H new ATOM 459 N ASP A 32 -18.007 34.760 5.662 1.00 10.00 N ATOM 460 CA ASP A 32 -17.500 36.064 6.092 1.00 10.00 C ATOM 461 C ASP A 32 -18.684 37.010 6.336 1.00 10.00 C ATOM 462 O ASP A 32 -18.680 37.788 7.293 1.00 10.00 O ATOM 463 CB ASP A 32 -16.463 36.611 5.094 1.00 10.00 C ATOM 464 CG ASP A 32 -16.043 38.052 5.425 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.236 38.250 6.364 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.504 38.986 4.725 1.00 10.00 O ATOM 0 H ASP A 32 -17.662 34.471 4.747 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.964 35.967 7.036 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.583 35.968 5.098 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.878 36.578 4.087 1.00 10.00 H new ATOM 471 N LYS A 33 -19.756 36.848 5.547 1.00 10.00 N ATOM 472 CA LYS A 33 -21.040 37.485 5.764 1.00 10.00 C ATOM 473 C LYS A 33 -21.776 36.859 6.952 1.00 10.00 C ATOM 474 O LYS A 33 -22.363 37.562 7.772 1.00 10.00 O ATOM 475 CB LYS A 33 -21.907 37.485 4.504 1.00 10.00 C ATOM 476 CG LYS A 33 -21.281 37.556 3.109 1.00 10.00 C ATOM 477 CD LYS A 33 -20.075 38.484 2.944 1.00 10.00 C ATOM 478 CE LYS A 33 -19.719 38.588 1.462 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.531 39.457 1.256 1.00 10.00 N ATOM 0 H LYS A 33 -19.742 36.251 4.720 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.841 38.529 6.007 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.513 36.579 4.535 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.591 38.329 4.589 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.978 36.550 2.820 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.052 37.871 2.406 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.303 39.471 3.345 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.225 38.099 3.508 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.520 37.594 1.062 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.568 38.990 0.908 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.311 39.510 0.241 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.732 40.411 1.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.717 39.059 1.766 1.00 10.00 H new ATOM 493 N LEU A 34 -21.787 35.530 7.054 1.00 10.00 N ATOM 494 CA LEU A 34 -22.543 34.799 8.082 1.00 10.00 C ATOM 495 C LEU A 34 -21.897 34.932 9.470 1.00 10.00 C ATOM 496 O LEU A 34 -22.519 34.719 10.500 1.00 10.00 O ATOM 497 CB LEU A 34 -22.756 33.352 7.633 1.00 10.00 C ATOM 498 CG LEU A 34 -24.190 32.822 7.834 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.335 31.550 7.057 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.686 32.414 9.204 1.00 10.00 C ATOM 0 H LEU A 34 -21.268 34.921 6.421 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.530 35.248 8.193 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.498 33.271 6.577 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.065 32.710 8.180 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.764 33.702 7.543 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.344 31.158 7.186 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.154 31.747 6.000 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.612 30.818 7.419 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.718 32.070 9.130 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -24.062 31.609 9.592 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.636 33.269 9.879 1.00 10.00 H new ATOM 512 N ALA A 35 -20.627 35.286 9.517 1.00 10.00 N ATOM 513 CA ALA A 35 -19.899 35.681 10.701 1.00 10.00 C ATOM 514 C ALA A 35 -20.191 37.179 11.041 1.00 10.00 C ATOM 515 O ALA A 35 -20.055 37.592 12.192 1.00 10.00 O ATOM 516 CB ALA A 35 -18.431 35.301 10.450 1.00 10.00 C ATOM 0 H ALA A 35 -20.045 35.306 8.680 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.212 35.163 11.607 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.830 35.578 11.316 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.356 34.226 10.285 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -18.064 35.829 9.570 1.00 10.00 H new ATOM 522 N ALA A 36 -20.603 37.997 10.045 1.00 10.00 N ATOM 523 CA ALA A 36 -20.984 39.423 10.136 1.00 10.00 C ATOM 524 C ALA A 36 -22.416 39.726 10.647 1.00 10.00 C ATOM 525 O ALA A 36 -22.588 40.501 11.591 1.00 10.00 O ATOM 526 CB ALA A 36 -20.732 40.100 8.773 1.00 10.00 C ATOM 0 H ALA A 36 -20.683 37.652 9.089 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.347 39.841 10.916 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -21.011 41.152 8.832 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.676 40.018 8.516 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.331 39.609 8.006 1.00 10.00 H new ATOM 532 N LYS A 37 -23.441 39.125 10.024 1.00 10.00 N ATOM 533 CA LYS A 37 -24.901 39.323 10.279 1.00 10.00 C ATOM 534 C LYS A 37 -25.627 37.959 10.215 1.00 10.00 C ATOM 535 O LYS A 37 -26.651 37.816 9.549 1.00 10.00 O ATOM 536 CB LYS A 37 -25.415 40.230 9.158 1.00 10.00 C ATOM 537 CG LYS A 37 -26.763 40.919 9.407 1.00 10.00 C ATOM 538 CD LYS A 37 -27.316 41.475 8.085 1.00 10.00 C ATOM 539 CE LYS A 37 -26.547 42.713 7.606 1.00 10.00 C ATOM 540 NZ LYS A 37 -27.136 43.270 6.359 1.00 10.00 N ATOM 0 H LYS A 37 -23.278 38.445 9.282 1.00 10.00 H new ATOM 0 HA LYS A 37 -25.079 39.762 11.261 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.667 41.000 8.970 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.497 39.636 8.248 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.470 40.210 9.838 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.641 41.726 10.129 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -27.267 40.701 7.319 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -28.368 41.731 8.213 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -26.557 43.474 8.386 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -25.504 42.450 7.431 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -26.593 44.106 6.062 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -27.103 42.551 5.608 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -28.124 43.543 6.534 1.00 10.00 H new ATOM 554 N PRO A 38 -25.115 36.940 10.909 1.00 10.00 N ATOM 555 CA PRO A 38 -25.471 35.546 10.744 1.00 10.00 C ATOM 556 C PRO A 38 -26.728 35.071 10.032 1.00 10.00 C ATOM 557 O PRO A 38 -26.675 34.803 8.835 1.00 10.00 O ATOM 558 CB PRO A 38 -25.094 34.796 12.015 1.00 10.00 C ATOM 559 CG PRO A 38 -24.307 35.805 12.858 1.00 10.00 C ATOM 560 CD PRO A 38 -24.162 37.059 11.997 1.00 10.00 C ATOM 0 HA PRO A 38 -24.871 35.262 9.879 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.981 34.447 12.544 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.491 33.916 11.789 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.831 36.029 13.787 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.330 35.406 13.132 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.358 37.955 12.585 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.146 37.147 11.612 1.00 10.00 H new ATOM 568 N SER A 39 -27.845 34.897 10.724 1.00 10.00 N ATOM 569 CA SER A 39 -29.005 34.239 10.148 1.00 10.00 C ATOM 570 C SER A 39 -29.796 35.118 9.171 1.00 10.00 C ATOM 571 O SER A 39 -30.901 34.737 8.787 1.00 10.00 O ATOM 572 CB SER A 39 -29.834 33.548 11.221 1.00 10.00 C ATOM 573 OG SER A 39 -30.356 34.478 12.160 1.00 10.00 O ATOM 0 H SER A 39 -27.971 35.204 11.688 1.00 10.00 H new ATOM 0 HA SER A 39 -28.640 33.442 9.500 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.654 33.004 10.753 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.218 32.813 11.740 1.00 10.00 H new ATOM 0 HG SER A 39 -30.884 34.001 12.834 1.00 10.00 H new ATOM 579 N ASP A 40 -29.246 36.285 8.779 1.00 10.00 N ATOM 580 CA ASP A 40 -29.730 37.110 7.663 1.00 10.00 C ATOM 581 C ASP A 40 -29.890 36.145 6.478 1.00 10.00 C ATOM 582 O ASP A 40 -28.898 35.678 5.926 1.00 10.00 O ATOM 583 CB ASP A 40 -28.786 38.282 7.355 1.00 10.00 C ATOM 584 CG ASP A 40 -29.245 39.030 6.093 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.833 38.654 4.971 1.00 10.00 O ATOM 586 OD2 ASP A 40 -30.042 39.990 6.227 1.00 10.00 O ATOM 0 H ASP A 40 -28.432 36.687 9.244 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.678 37.591 7.903 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.761 38.968 8.202 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.771 37.911 7.215 1.00 10.00 H new ATOM 591 N PRO A 41 -31.114 35.786 6.077 1.00 10.00 N ATOM 592 CA PRO A 41 -31.291 34.669 5.163 1.00 10.00 C ATOM 593 C PRO A 41 -30.745 34.866 3.758 1.00 10.00 C ATOM 594 O PRO A 41 -30.424 33.884 3.098 1.00 10.00 O ATOM 595 CB PRO A 41 -32.789 34.405 5.170 1.00 10.00 C ATOM 596 CG PRO A 41 -33.394 35.775 5.490 1.00 10.00 C ATOM 597 CD PRO A 41 -32.384 36.379 6.455 1.00 10.00 C ATOM 0 HA PRO A 41 -30.700 33.819 5.504 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.134 34.029 4.207 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.062 33.661 5.919 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.510 36.384 4.594 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.381 35.684 5.943 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.355 37.465 6.369 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.637 36.147 7.490 1.00 10.00 H new ATOM 605 N ALA A 42 -30.601 36.103 3.295 1.00 10.00 N ATOM 606 CA ALA A 42 -30.045 36.379 1.989 1.00 10.00 C ATOM 607 C ALA A 42 -28.534 36.073 1.921 1.00 10.00 C ATOM 608 O ALA A 42 -28.079 35.491 0.933 1.00 10.00 O ATOM 609 CB ALA A 42 -30.411 37.822 1.646 1.00 10.00 C ATOM 0 H ALA A 42 -30.868 36.937 3.819 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.468 35.717 1.233 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.010 38.076 0.665 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.496 37.929 1.634 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.988 38.492 2.395 1.00 10.00 H new ATOM 615 N LEU A 43 -27.756 36.382 2.970 1.00 10.00 N ATOM 616 CA LEU A 43 -26.359 35.956 3.088 1.00 10.00 C ATOM 617 C LEU A 43 -26.224 34.501 3.573 1.00 10.00 C ATOM 618 O LEU A 43 -25.393 33.763 3.043 1.00 10.00 O ATOM 619 CB LEU A 43 -25.584 36.972 3.948 1.00 10.00 C ATOM 620 CG LEU A 43 -25.794 36.892 5.460 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.902 35.864 6.105 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.326 38.127 6.206 1.00 10.00 C ATOM 0 H LEU A 43 -28.082 36.937 3.761 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.906 35.949 2.097 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.520 36.848 3.745 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.857 37.975 3.619 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.865 36.702 5.531 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.087 35.844 7.179 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.113 34.882 5.682 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.859 36.121 5.922 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.507 37.998 7.273 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.260 38.274 6.034 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.875 38.998 5.848 1.00 10.00 H new ATOM 634 N LEU A 44 -27.020 34.062 4.559 1.00 10.00 N ATOM 635 CA LEU A 44 -26.961 32.695 5.092 1.00 10.00 C ATOM 636 C LEU A 44 -27.329 31.725 3.985 1.00 10.00 C ATOM 637 O LEU A 44 -26.576 30.801 3.769 1.00 10.00 O ATOM 638 CB LEU A 44 -27.750 32.576 6.425 1.00 10.00 C ATOM 639 CG LEU A 44 -28.632 31.362 6.780 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.701 30.958 5.767 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.815 30.118 7.047 1.00 10.00 C ATOM 0 H LEU A 44 -27.724 34.647 5.009 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.950 32.420 5.392 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -27.017 32.669 7.226 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.396 33.453 6.480 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.143 31.734 7.668 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.248 30.092 6.141 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.393 31.787 5.618 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.227 30.706 4.818 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.481 29.291 7.293 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.235 29.866 6.159 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.139 30.299 7.882 1.00 10.00 H new ATOM 653 N ALA A 45 -28.370 31.934 3.184 1.00 10.00 N ATOM 654 CA ALA A 45 -28.679 30.962 2.150 1.00 10.00 C ATOM 655 C ALA A 45 -27.691 31.028 0.977 1.00 10.00 C ATOM 656 O ALA A 45 -27.557 30.046 0.250 1.00 10.00 O ATOM 657 CB ALA A 45 -30.148 31.028 1.772 1.00 10.00 C ATOM 0 H ALA A 45 -28.993 32.740 3.229 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.531 29.959 2.550 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.357 30.292 0.996 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.759 30.815 2.649 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.383 32.025 1.399 1.00 10.00 H new ATOM 663 N ALA A 46 -26.958 32.133 0.794 1.00 10.00 N ATOM 664 CA ALA A 46 -25.832 32.171 -0.130 1.00 10.00 C ATOM 665 C ALA A 46 -24.683 31.292 0.409 1.00 10.00 C ATOM 666 O ALA A 46 -24.029 30.594 -0.361 1.00 10.00 O ATOM 667 CB ALA A 46 -25.377 33.602 -0.388 1.00 10.00 C ATOM 0 H ALA A 46 -27.131 33.014 1.279 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.151 31.765 -1.090 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.536 33.597 -1.081 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.199 34.173 -0.819 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.070 34.061 0.552 1.00 10.00 H new ATOM 673 N TYR A 47 -24.478 31.259 1.733 1.00 10.00 N ATOM 674 CA TYR A 47 -23.589 30.301 2.386 1.00 10.00 C ATOM 675 C TYR A 47 -24.089 28.896 2.141 1.00 10.00 C ATOM 676 O TYR A 47 -23.346 28.097 1.585 1.00 10.00 O ATOM 677 CB TYR A 47 -23.484 30.542 3.890 1.00 10.00 C ATOM 678 CG TYR A 47 -22.556 29.583 4.629 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.229 29.389 4.208 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.063 28.783 5.676 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.409 28.431 4.832 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.247 27.830 6.316 1.00 10.00 C ATOM 683 CZ TYR A 47 -20.912 27.650 5.893 1.00 10.00 C ATOM 684 OH TYR A 47 -20.113 26.726 6.491 1.00 10.00 O ATOM 0 H TYR A 47 -24.930 31.903 2.382 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.596 30.433 1.957 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.137 31.562 4.057 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.480 30.469 4.326 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.834 29.982 3.396 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.089 28.903 5.990 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.391 28.293 4.497 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -22.642 27.238 7.129 1.00 10.00 H new ATOM 0 HH TYR A 47 -20.612 26.275 7.204 1.00 10.00 H new ATOM 694 N GLN A 48 -25.364 28.644 2.445 1.00 10.00 N ATOM 695 CA GLN A 48 -26.031 27.371 2.214 1.00 10.00 C ATOM 696 C GLN A 48 -25.916 26.912 0.751 1.00 10.00 C ATOM 697 O GLN A 48 -25.823 25.716 0.465 1.00 10.00 O ATOM 698 CB GLN A 48 -27.506 27.403 2.633 1.00 10.00 C ATOM 699 CG GLN A 48 -27.836 27.792 4.074 1.00 10.00 C ATOM 700 CD GLN A 48 -27.174 26.895 5.117 1.00 10.00 C ATOM 701 OE1 GLN A 48 -26.145 27.214 5.693 1.00 10.00 O ATOM 702 NE2 GLN A 48 -27.727 25.732 5.393 1.00 10.00 N ATOM 0 H GLN A 48 -25.974 29.342 2.870 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.512 26.648 2.843 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -28.025 28.098 1.973 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -27.926 26.414 2.450 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -27.525 28.823 4.243 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.917 27.759 4.212 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.586 25.451 4.921 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -27.296 25.112 6.079 1.00 10.00 H new ATOM 711 N SER A 49 -25.869 27.868 -0.179 1.00 10.00 N ATOM 712 CA SER A 49 -25.667 27.617 -1.592 1.00 10.00 C ATOM 713 C SER A 49 -24.240 27.203 -1.886 1.00 10.00 C ATOM 714 O SER A 49 -24.021 26.134 -2.438 1.00 10.00 O ATOM 715 CB SER A 49 -25.994 28.859 -2.451 1.00 10.00 C ATOM 716 OG SER A 49 -27.376 29.161 -2.390 1.00 10.00 O ATOM 0 H SER A 49 -25.974 28.858 0.043 1.00 10.00 H new ATOM 0 HA SER A 49 -26.348 26.806 -1.851 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.414 29.713 -2.100 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.702 28.679 -3.485 1.00 10.00 H new ATOM 0 HG SER A 49 -27.599 29.492 -1.495 1.00 10.00 H new ATOM 722 N LYS A 50 -23.257 28.011 -1.486 1.00 10.00 N ATOM 723 CA LYS A 50 -21.834 27.776 -1.735 1.00 10.00 C ATOM 724 C LYS A 50 -21.336 26.506 -1.060 1.00 10.00 C ATOM 725 O LYS A 50 -20.594 25.761 -1.677 1.00 10.00 O ATOM 726 CB LYS A 50 -21.066 29.041 -1.320 1.00 10.00 C ATOM 727 CG LYS A 50 -21.432 30.192 -2.273 1.00 10.00 C ATOM 728 CD LYS A 50 -20.272 30.588 -3.166 1.00 10.00 C ATOM 729 CE LYS A 50 -19.882 29.459 -4.123 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.254 29.758 -5.534 1.00 10.00 N ATOM 0 H LYS A 50 -23.434 28.870 -0.966 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.659 27.597 -2.796 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.314 29.311 -0.293 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -19.992 28.855 -1.351 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.279 29.894 -2.891 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.751 31.056 -1.690 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.541 31.475 -3.740 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.413 30.855 -2.550 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -18.807 29.289 -4.062 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.369 28.536 -3.809 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.407 28.867 -6.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.128 30.322 -5.551 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.487 30.294 -5.989 1.00 10.00 H new ATOM 744 N LEU A 51 -21.828 26.215 0.136 1.00 10.00 N ATOM 745 CA LEU A 51 -21.708 24.982 0.913 1.00 10.00 C ATOM 746 C LEU A 51 -22.104 23.764 0.072 1.00 10.00 C ATOM 747 O LEU A 51 -21.411 22.747 0.078 1.00 10.00 O ATOM 748 CB LEU A 51 -22.649 25.252 2.115 1.00 10.00 C ATOM 749 CG LEU A 51 -23.136 24.133 3.047 1.00 10.00 C ATOM 750 CD1 LEU A 51 -23.843 24.795 4.233 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.191 23.233 2.397 1.00 10.00 C ATOM 0 H LEU A 51 -22.380 26.908 0.642 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.695 24.744 1.239 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.148 25.987 2.745 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.540 25.733 1.712 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.266 23.534 3.315 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.203 24.027 4.917 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.143 25.447 4.756 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.687 25.383 3.872 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.496 22.461 3.104 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.058 23.832 2.117 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.771 22.764 1.507 1.00 10.00 H new ATOM 763 N SER A 52 -23.181 23.887 -0.701 1.00 10.00 N ATOM 764 CA SER A 52 -23.607 22.879 -1.656 1.00 10.00 C ATOM 765 C SER A 52 -22.791 22.908 -2.941 1.00 10.00 C ATOM 766 O SER A 52 -22.388 21.854 -3.423 1.00 10.00 O ATOM 767 CB SER A 52 -25.076 23.043 -2.030 1.00 10.00 C ATOM 768 OG SER A 52 -25.928 23.056 -0.894 1.00 10.00 O ATOM 0 H SER A 52 -23.789 24.706 -0.677 1.00 10.00 H new ATOM 0 HA SER A 52 -23.451 21.924 -1.154 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.204 23.971 -2.587 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.372 22.230 -2.693 1.00 10.00 H new ATOM 0 HG SER A 52 -25.881 23.933 -0.460 1.00 10.00 H new ATOM 774 N GLU A 53 -22.483 24.091 -3.481 1.00 10.00 N ATOM 775 CA GLU A 53 -21.667 24.237 -4.675 1.00 10.00 C ATOM 776 C GLU A 53 -20.295 23.601 -4.496 1.00 10.00 C ATOM 777 O GLU A 53 -19.736 23.059 -5.434 1.00 10.00 O ATOM 778 CB GLU A 53 -21.396 25.670 -5.091 1.00 10.00 C ATOM 779 CG GLU A 53 -22.518 26.596 -5.519 1.00 10.00 C ATOM 780 CD GLU A 53 -23.462 25.982 -6.572 1.00 10.00 C ATOM 781 OE1 GLU A 53 -23.028 25.791 -7.733 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.645 25.717 -6.255 1.00 10.00 O ATOM 0 H GLU A 53 -22.800 24.979 -3.092 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.265 23.745 -5.442 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -20.889 26.152 -4.255 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.685 25.631 -5.916 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.101 26.876 -4.641 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -22.087 27.513 -5.921 1.00 10.00 H new ATOM 789 N TYR A 54 -19.739 23.669 -3.294 1.00 10.00 N ATOM 790 CA TYR A 54 -18.432 23.136 -2.953 1.00 10.00 C ATOM 791 C TYR A 54 -18.480 21.605 -2.904 1.00 10.00 C ATOM 792 O TYR A 54 -17.534 20.940 -3.332 1.00 10.00 O ATOM 793 CB TYR A 54 -17.935 23.864 -1.697 1.00 10.00 C ATOM 794 CG TYR A 54 -17.202 23.050 -0.687 1.00 10.00 C ATOM 795 CD1 TYR A 54 -17.937 22.284 0.228 1.00 10.00 C ATOM 796 CD2 TYR A 54 -15.805 23.118 -0.613 1.00 10.00 C ATOM 797 CE1 TYR A 54 -17.277 21.589 1.243 1.00 10.00 C ATOM 798 CE2 TYR A 54 -15.138 22.431 0.407 1.00 10.00 C ATOM 799 CZ TYR A 54 -15.868 21.671 1.353 1.00 10.00 C ATOM 800 OH TYR A 54 -15.223 21.024 2.362 1.00 10.00 O ATOM 0 H TYR A 54 -20.205 24.113 -2.503 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.679 23.331 -3.716 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.283 24.678 -2.013 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.796 24.318 -1.206 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -19.013 22.231 0.148 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -15.248 23.695 -1.336 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -17.840 20.990 1.943 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -14.061 22.481 0.473 1.00 10.00 H new ATOM 0 HH TYR A 54 -14.259 21.184 2.290 1.00 10.00 H new ATOM 843 N TYR A 57 -18.505 20.972 -6.598 1.00 10.00 N ATOM 844 CA TYR A 57 -17.110 20.986 -7.021 1.00 10.00 C ATOM 845 C TYR A 57 -16.558 19.549 -6.827 1.00 10.00 C ATOM 846 O TYR A 57 -15.933 18.965 -7.712 1.00 10.00 O ATOM 847 CB TYR A 57 -16.285 22.115 -6.341 1.00 10.00 C ATOM 848 CG TYR A 57 -14.812 21.752 -6.295 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.385 20.789 -5.367 1.00 10.00 C ATOM 850 CD2 TYR A 57 -13.927 22.197 -7.296 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.123 20.186 -5.490 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.630 21.651 -7.381 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.233 20.627 -6.492 1.00 10.00 C ATOM 854 OH TYR A 57 -10.999 20.065 -6.601 1.00 10.00 O ATOM 0 HA TYR A 57 -17.023 21.245 -8.076 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.417 23.048 -6.888 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.655 22.283 -5.329 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -15.034 20.509 -4.550 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.241 22.955 -7.998 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.835 19.389 -4.821 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -11.939 22.016 -8.127 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.514 20.483 -7.343 1.00 10.00 H new ATOM 864 N ARG A 58 -16.900 18.947 -5.678 1.00 10.00 N ATOM 865 CA ARG A 58 -16.618 17.571 -5.254 1.00 10.00 C ATOM 866 C ARG A 58 -17.282 16.526 -6.157 1.00 10.00 C ATOM 867 O ARG A 58 -16.652 15.540 -6.531 1.00 10.00 O ATOM 868 CB ARG A 58 -17.106 17.440 -3.788 1.00 10.00 C ATOM 869 CG ARG A 58 -16.072 16.991 -2.757 1.00 10.00 C ATOM 870 CD ARG A 58 -15.055 18.112 -2.511 1.00 10.00 C ATOM 871 NE ARG A 58 -14.004 17.697 -1.561 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.946 17.969 -0.268 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.874 18.652 0.338 1.00 10.00 N ATOM 874 NH2 ARG A 58 -12.940 17.558 0.447 1.00 10.00 N ATOM 0 H ARG A 58 -17.424 19.453 -4.964 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.548 17.376 -5.330 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.502 18.406 -3.474 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -17.936 16.733 -3.768 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.568 16.728 -1.823 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.560 16.095 -3.109 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.597 18.402 -3.457 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.569 18.991 -2.123 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.240 17.140 -1.943 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -15.679 18.996 -0.186 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -14.796 18.843 1.337 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -12.189 17.022 0.011 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.902 17.771 1.444 1.00 10.00 H new ATOM 888 N ASN A 59 -18.536 16.768 -6.541 1.00 10.00 N ATOM 889 CA ASN A 59 -19.329 15.916 -7.426 1.00 10.00 C ATOM 890 C ASN A 59 -18.756 15.894 -8.850 1.00 10.00 C ATOM 891 O ASN A 59 -18.594 14.836 -9.456 1.00 10.00 O ATOM 892 CB ASN A 59 -20.795 16.395 -7.441 1.00 10.00 C ATOM 893 CG ASN A 59 -21.721 15.367 -8.077 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.721 14.194 -7.730 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.532 15.763 -9.032 1.00 10.00 N ATOM 0 H ASN A 59 -19.046 17.595 -6.232 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.289 14.897 -7.041 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.122 16.596 -6.421 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.864 17.335 -7.989 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.158 15.093 -9.480 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.536 16.740 -9.325 1.00 10.00 H new ATOM 902 N ALA A 60 -18.387 17.071 -9.355 1.00 10.00 N ATOM 903 CA ALA A 60 -17.669 17.271 -10.603 1.00 10.00 C ATOM 904 C ALA A 60 -16.312 16.562 -10.567 1.00 10.00 C ATOM 905 O ALA A 60 -15.975 15.846 -11.507 1.00 10.00 O ATOM 906 CB ALA A 60 -17.550 18.776 -10.864 1.00 10.00 C ATOM 0 H ALA A 60 -18.593 17.949 -8.879 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.217 16.826 -11.433 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -17.013 18.942 -11.798 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.546 19.213 -10.936 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -17.006 19.246 -10.044 1.00 10.00 H new ATOM 912 N GLN A 61 -15.608 16.625 -9.432 1.00 10.00 N ATOM 913 CA GLN A 61 -14.404 15.849 -9.118 1.00 10.00 C ATOM 914 C GLN A 61 -14.667 14.376 -8.725 1.00 10.00 C ATOM 915 O GLN A 61 -13.905 13.718 -8.018 1.00 10.00 O ATOM 916 CB GLN A 61 -13.549 16.597 -8.115 1.00 10.00 C ATOM 917 CG GLN A 61 -12.067 16.180 -8.228 1.00 10.00 C ATOM 918 CD GLN A 61 -11.291 17.005 -9.253 1.00 10.00 C ATOM 919 OE1 GLN A 61 -10.863 16.517 -10.289 1.00 10.00 O ATOM 920 NE2 GLN A 61 -11.063 18.276 -9.013 1.00 10.00 N ATOM 0 H GLN A 61 -15.875 17.249 -8.671 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.840 15.756 -10.046 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.642 17.670 -8.282 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.910 16.399 -7.106 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.591 16.282 -7.253 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -12.012 15.126 -8.501 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -11.411 18.703 -8.155 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -10.538 18.836 -9.685 1.00 10.00 H new ATOM 929 N SER A 62 -15.790 13.870 -9.209 1.00 10.00 N ATOM 930 CA SER A 62 -16.230 12.479 -9.235 1.00 10.00 C ATOM 931 C SER A 62 -16.996 12.182 -10.540 1.00 10.00 C ATOM 932 O SER A 62 -17.660 11.155 -10.681 1.00 10.00 O ATOM 933 CB SER A 62 -17.033 12.158 -7.981 1.00 10.00 C ATOM 934 OG SER A 62 -17.076 10.751 -7.777 1.00 10.00 O ATOM 0 H SER A 62 -16.486 14.481 -9.636 1.00 10.00 H new ATOM 0 HA SER A 62 -15.363 11.819 -9.229 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.583 12.645 -7.116 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.045 12.551 -8.077 1.00 10.00 H new ATOM 0 HG SER A 62 -17.593 10.553 -6.968 1.00 10.00 H new ATOM 940 N ASN A 63 -16.844 13.076 -11.528 1.00 10.00 N ATOM 941 CA ASN A 63 -17.399 13.030 -12.868 1.00 10.00 C ATOM 942 C ASN A 63 -16.282 13.103 -13.904 1.00 10.00 C ATOM 943 O ASN A 63 -16.148 12.228 -14.747 1.00 10.00 O ATOM 944 CB ASN A 63 -18.407 14.185 -13.021 1.00 10.00 C ATOM 945 CG ASN A 63 -19.534 13.898 -14.005 1.00 10.00 C ATOM 946 OD1 ASN A 63 -19.700 12.803 -14.527 1.00 10.00 O ATOM 947 ND2 ASN A 63 -20.350 14.884 -14.301 1.00 10.00 N ATOM 0 H ASN A 63 -16.281 13.915 -11.388 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.922 12.088 -13.033 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.839 14.408 -12.045 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.874 15.078 -13.346 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -21.114 14.734 -14.960 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.220 15.800 -13.871 1.00 10.00 H new ATOM 954 N THR A 64 -15.389 14.076 -13.746 1.00 10.00 N ATOM 955 CA THR A 64 -14.114 14.223 -14.464 1.00 10.00 C ATOM 956 C THR A 64 -13.270 12.945 -14.465 1.00 10.00 C ATOM 957 O THR A 64 -12.804 12.443 -15.482 1.00 10.00 O ATOM 958 CB THR A 64 -13.363 15.399 -13.842 1.00 10.00 C ATOM 959 OG1 THR A 64 -12.191 15.701 -14.554 1.00 10.00 O ATOM 960 CG2 THR A 64 -13.042 15.193 -12.367 1.00 10.00 C ATOM 0 H THR A 64 -15.539 14.830 -13.076 1.00 10.00 H new ATOM 0 HA THR A 64 -14.321 14.417 -15.517 1.00 10.00 H new ATOM 0 HB THR A 64 -14.044 16.247 -13.908 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.560 14.956 -14.476 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.509 16.064 -11.986 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.968 15.061 -11.808 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.419 14.306 -12.251 1.00 10.00 H new ATOM 968 N VAL A 65 -13.238 12.329 -13.297 1.00 10.00 N ATOM 969 CA VAL A 65 -12.687 11.026 -12.917 1.00 10.00 C ATOM 970 C VAL A 65 -13.224 9.856 -13.763 1.00 10.00 C ATOM 971 O VAL A 65 -12.548 8.847 -13.960 1.00 10.00 O ATOM 972 CB VAL A 65 -13.064 10.816 -11.435 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.108 9.862 -10.727 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.094 12.095 -10.598 1.00 10.00 C ATOM 0 H VAL A 65 -13.650 12.785 -12.483 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.610 11.033 -13.085 1.00 10.00 H new ATOM 0 HB VAL A 65 -14.072 10.405 -11.496 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.414 9.746 -9.687 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.129 8.891 -11.222 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.096 10.266 -10.765 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.368 11.852 -9.571 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.109 12.561 -10.610 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.827 12.786 -11.015 1.00 10.00 H new ATOM 984 N LYS A 66 -14.439 10.027 -14.297 1.00 10.00 N ATOM 985 CA LYS A 66 -15.235 9.142 -15.147 1.00 10.00 C ATOM 986 C LYS A 66 -15.432 9.724 -16.569 1.00 10.00 C ATOM 987 O LYS A 66 -16.208 9.199 -17.365 1.00 10.00 O ATOM 988 CB LYS A 66 -16.590 8.913 -14.441 1.00 10.00 C ATOM 989 CG LYS A 66 -16.609 7.884 -13.296 1.00 10.00 C ATOM 990 CD LYS A 66 -16.016 8.407 -11.977 1.00 10.00 C ATOM 991 CE LYS A 66 -16.621 7.666 -10.775 1.00 10.00 C ATOM 992 NZ LYS A 66 -16.309 8.337 -9.485 1.00 10.00 N ATOM 0 H LYS A 66 -14.946 10.894 -14.120 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.712 8.195 -15.284 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.933 9.869 -14.045 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -17.316 8.600 -15.192 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -17.638 7.569 -13.121 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -16.054 6.999 -13.607 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.934 8.277 -11.983 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -16.208 9.476 -11.885 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -17.702 7.602 -10.897 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -16.242 6.644 -10.752 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.556 7.706 -8.697 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -15.294 8.559 -9.446 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -16.858 9.217 -9.410 1.00 10.00 H new ATOM 1006 N VAL A 67 -14.682 10.776 -16.907 1.00 10.00 N ATOM 1007 CA VAL A 67 -14.601 11.479 -18.189 1.00 10.00 C ATOM 1008 C VAL A 67 -13.232 11.305 -18.817 1.00 10.00 C ATOM 1009 O VAL A 67 -13.135 11.168 -20.030 1.00 10.00 O ATOM 1010 CB VAL A 67 -14.945 12.947 -17.965 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -14.429 13.914 -19.016 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -16.449 13.051 -17.810 1.00 10.00 C ATOM 0 H VAL A 67 -14.055 11.198 -16.222 1.00 10.00 H new ATOM 0 HA VAL A 67 -15.319 11.054 -18.891 1.00 10.00 H new ATOM 0 HB VAL A 67 -14.422 13.263 -17.062 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -14.732 14.929 -18.757 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -13.341 13.859 -19.058 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -14.843 13.649 -19.989 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -16.727 14.092 -17.648 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -16.934 12.682 -18.714 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -16.769 12.453 -16.957 1.00 10.00 H new ATOM 1022 N PHE A 68 -12.178 11.225 -18.007 1.00 10.00 N ATOM 1023 CA PHE A 68 -10.857 10.796 -18.454 1.00 10.00 C ATOM 1024 C PHE A 68 -10.987 9.375 -19.055 1.00 10.00 C ATOM 1025 O PHE A 68 -10.360 9.035 -20.059 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.902 10.880 -17.257 1.00 10.00 C ATOM 1027 CG PHE A 68 -9.464 12.295 -16.914 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -8.743 13.063 -17.853 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.789 12.859 -15.665 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -8.383 14.389 -17.555 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -9.450 14.192 -15.376 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.744 14.958 -16.321 1.00 10.00 C ATOM 0 H PHE A 68 -12.219 11.458 -17.015 1.00 10.00 H new ATOM 0 HA PHE A 68 -10.446 11.434 -19.237 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -10.388 10.440 -16.386 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -9.018 10.278 -17.467 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -8.467 12.631 -18.803 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -10.302 12.263 -14.925 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -7.828 14.972 -18.275 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.731 14.628 -14.429 1.00 10.00 H new ATOM 0 HZ PHE A 68 -8.480 15.981 -16.099 1.00 10.00 H new