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= 0.11 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -162:sc= 0.107 (180deg=0) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 61 GLN : amide:sc= 1.49 K(o=1.5,f=-8.8!) USER MOD Set 3.1: A 26 GLN : amide:sc= 1.33 K(o=1.9,f=-3) USER MOD Set 3.2: A 50 LYS NZ :NH3+ -167:sc= 0.576 (180deg=-0.102) 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=-0.28) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.25 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= -0.077 X(o=-0.077,f=-0.1) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 75:sc= 0.251 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.4!) USER MOD Single : A 64 THR OG1 : rot -58:sc= 0.0962 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 0.381 5.790 -9.858 1.00 10.00 N ATOM 59 CA TRP A 5 -0.166 6.909 -9.075 1.00 10.00 C ATOM 60 C TRP A 5 -0.039 6.729 -7.557 1.00 10.00 C ATOM 61 O TRP A 5 0.097 7.715 -6.837 1.00 10.00 O ATOM 62 CB TRP A 5 -1.628 7.160 -9.473 1.00 10.00 C ATOM 63 CG TRP A 5 -2.579 6.024 -9.226 1.00 10.00 C ATOM 64 CD1 TRP A 5 -2.980 5.121 -10.151 1.00 10.00 C ATOM 65 CD2 TRP A 5 -3.256 5.646 -7.984 1.00 10.00 C ATOM 66 NE1 TRP A 5 -3.840 4.209 -9.570 1.00 10.00 N ATOM 67 CE2 TRP A 5 -4.038 4.478 -8.233 1.00 10.00 C ATOM 68 CE3 TRP A 5 -3.283 6.165 -6.669 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -4.797 3.851 -7.233 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -4.037 5.540 -5.656 1.00 10.00 C ATOM 71 CH2 TRP A 5 -4.791 4.385 -5.934 1.00 10.00 C ATOM 0 HA TRP A 5 0.441 7.781 -9.317 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -1.987 8.034 -8.930 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -1.658 7.409 -10.534 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -2.674 5.114 -11.187 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -4.275 3.433 -10.069 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -2.717 7.055 -6.437 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -5.378 2.969 -7.459 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -4.036 5.951 -4.657 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -5.363 3.910 -5.151 1.00 10.00 H new ATOM 82 N SER A 6 -0.019 5.492 -7.058 1.00 10.00 N ATOM 83 CA SER A 6 0.159 5.166 -5.634 1.00 10.00 C ATOM 84 C SER A 6 1.511 5.607 -5.046 1.00 10.00 C ATOM 85 O SER A 6 1.614 5.799 -3.832 1.00 10.00 O ATOM 86 CB SER A 6 -0.043 3.661 -5.428 1.00 10.00 C ATOM 87 OG SER A 6 0.842 2.916 -6.254 1.00 10.00 O ATOM 0 H SER A 6 -0.129 4.665 -7.645 1.00 10.00 H new ATOM 0 HA SER A 6 -0.594 5.737 -5.091 1.00 10.00 H new ATOM 0 HB2 SER A 6 0.127 3.406 -4.382 1.00 10.00 H new ATOM 0 HB3 SER A 6 -1.074 3.393 -5.657 1.00 10.00 H new ATOM 0 HG SER A 6 0.699 1.958 -6.106 1.00 10.00 H new ATOM 93 N GLY A 7 2.530 5.841 -5.884 1.00 10.00 N ATOM 94 CA GLY A 7 3.834 6.394 -5.484 1.00 10.00 C ATOM 95 C GLY A 7 3.903 7.931 -5.489 1.00 10.00 C ATOM 96 O GLY A 7 4.895 8.503 -5.034 1.00 10.00 O ATOM 0 H GLY A 7 2.470 5.647 -6.884 1.00 10.00 H new ATOM 0 HA2 GLY A 7 4.075 6.035 -4.483 1.00 10.00 H new ATOM 0 HA3 GLY A 7 4.600 6.006 -6.155 1.00 10.00 H new ATOM 100 N TYR A 8 2.853 8.599 -5.985 1.00 10.00 N ATOM 101 CA TYR A 8 2.763 10.036 -6.257 1.00 10.00 C ATOM 102 C TYR A 8 1.400 10.633 -5.846 1.00 10.00 C ATOM 103 O TYR A 8 1.018 11.733 -6.255 1.00 10.00 O ATOM 104 CB TYR A 8 3.067 10.264 -7.745 1.00 10.00 C ATOM 105 CG TYR A 8 4.493 9.904 -8.131 1.00 10.00 C ATOM 106 CD1 TYR A 8 5.526 10.847 -7.951 1.00 10.00 C ATOM 107 CD2 TYR A 8 4.801 8.611 -8.599 1.00 10.00 C ATOM 108 CE1 TYR A 8 6.862 10.498 -8.228 1.00 10.00 C ATOM 109 CE2 TYR A 8 6.138 8.251 -8.856 1.00 10.00 C ATOM 110 CZ TYR A 8 7.173 9.194 -8.676 1.00 10.00 C ATOM 111 OH TYR A 8 8.462 8.837 -8.929 1.00 10.00 O ATOM 0 H TYR A 8 1.987 8.115 -6.222 1.00 10.00 H new ATOM 0 HA TYR A 8 3.498 10.561 -5.647 1.00 10.00 H new ATOM 0 HB2 TYR A 8 2.376 9.672 -8.345 1.00 10.00 H new ATOM 0 HB3 TYR A 8 2.885 11.311 -7.989 1.00 10.00 H new ATOM 0 HD1 TYR A 8 5.292 11.841 -7.599 1.00 10.00 H new ATOM 0 HD2 TYR A 8 4.010 7.894 -8.761 1.00 10.00 H new ATOM 0 HE1 TYR A 8 7.649 11.227 -8.098 1.00 10.00 H new ATOM 0 HE2 TYR A 8 6.372 7.251 -9.191 1.00 10.00 H new ATOM 0 HH TYR A 8 8.490 7.904 -9.227 1.00 10.00 H new ATOM 121 N LEU A 9 0.645 9.886 -5.040 1.00 10.00 N ATOM 122 CA LEU A 9 -0.737 10.168 -4.653 1.00 10.00 C ATOM 123 C LEU A 9 -0.918 11.569 -4.055 1.00 10.00 C ATOM 124 O LEU A 9 -1.818 12.304 -4.456 1.00 10.00 O ATOM 125 CB LEU A 9 -1.195 9.044 -3.700 1.00 10.00 C ATOM 126 CG LEU A 9 -2.576 9.265 -3.058 1.00 10.00 C ATOM 127 CD1 LEU A 9 -3.667 9.506 -4.097 1.00 10.00 C ATOM 128 CD2 LEU A 9 -2.965 8.055 -2.210 1.00 10.00 C ATOM 0 H LEU A 9 0.998 9.026 -4.619 1.00 10.00 H new ATOM 0 HA LEU A 9 -1.370 10.177 -5.540 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -1.213 8.104 -4.252 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -0.455 8.935 -2.907 1.00 10.00 H new ATOM 0 HG LEU A 9 -2.493 10.156 -2.436 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -4.622 9.656 -3.594 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -3.422 10.392 -4.683 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -3.737 8.642 -4.758 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -3.944 8.225 -1.762 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -3.003 7.166 -2.840 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -2.226 7.910 -1.423 1.00 10.00 H new ATOM 140 N ASP A 10 -0.019 11.981 -3.166 1.00 10.00 N ATOM 141 CA ASP A 10 -0.043 13.298 -2.511 1.00 10.00 C ATOM 142 C ASP A 10 0.410 14.466 -3.432 1.00 10.00 C ATOM 143 O ASP A 10 0.776 15.548 -2.973 1.00 10.00 O ATOM 144 CB ASP A 10 0.784 13.202 -1.216 1.00 10.00 C ATOM 145 CG ASP A 10 0.547 14.377 -0.248 1.00 10.00 C ATOM 146 OD1 ASP A 10 -0.630 14.685 0.061 1.00 10.00 O ATOM 147 OD2 ASP A 10 1.540 14.953 0.263 1.00 10.00 O ATOM 0 H ASP A 10 0.766 11.401 -2.870 1.00 10.00 H new ATOM 0 HA ASP A 10 -1.076 13.550 -2.271 1.00 10.00 H new ATOM 0 HB2 ASP A 10 0.542 12.268 -0.708 1.00 10.00 H new ATOM 0 HB3 ASP A 10 1.843 13.160 -1.472 1.00 10.00 H new ATOM 152 N ASP A 11 0.379 14.246 -4.749 1.00 10.00 N ATOM 153 CA ASP A 11 0.546 15.237 -5.821 1.00 10.00 C ATOM 154 C ASP A 11 -0.581 15.109 -6.856 1.00 10.00 C ATOM 155 O ASP A 11 -1.173 16.104 -7.279 1.00 10.00 O ATOM 156 CB ASP A 11 1.933 15.086 -6.462 1.00 10.00 C ATOM 157 CG ASP A 11 2.180 16.165 -7.530 1.00 10.00 C ATOM 158 OD1 ASP A 11 2.483 17.325 -7.160 1.00 10.00 O ATOM 159 OD2 ASP A 11 2.085 15.855 -8.741 1.00 10.00 O ATOM 0 H ASP A 11 0.227 13.309 -5.122 1.00 10.00 H new ATOM 0 HA ASP A 11 0.481 16.239 -5.397 1.00 10.00 H new ATOM 0 HB2 ASP A 11 2.701 15.153 -5.691 1.00 10.00 H new ATOM 0 HB3 ASP A 11 2.021 14.098 -6.914 1.00 10.00 H new ATOM 164 N VAL A 12 -0.938 13.870 -7.194 1.00 10.00 N ATOM 165 CA VAL A 12 -1.966 13.506 -8.169 1.00 10.00 C ATOM 166 C VAL A 12 -3.377 13.719 -7.636 1.00 10.00 C ATOM 167 O VAL A 12 -4.189 14.380 -8.277 1.00 10.00 O ATOM 168 CB VAL A 12 -1.737 12.040 -8.581 1.00 10.00 C ATOM 169 CG1 VAL A 12 -2.894 11.457 -9.398 1.00 10.00 C ATOM 170 CG2 VAL A 12 -0.427 11.950 -9.374 1.00 10.00 C ATOM 0 H VAL A 12 -0.496 13.052 -6.774 1.00 10.00 H new ATOM 0 HA VAL A 12 -1.879 14.159 -9.037 1.00 10.00 H new ATOM 0 HB VAL A 12 -1.679 11.444 -7.670 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -2.671 10.422 -9.657 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -3.810 11.495 -8.809 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -3.025 12.039 -10.310 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -0.252 10.916 -9.672 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -0.496 12.577 -10.263 1.00 10.00 H new ATOM 0 HG23 VAL A 12 0.400 12.292 -8.751 1.00 10.00 H new ATOM 180 N SER A 13 -3.667 13.194 -6.449 1.00 10.00 N ATOM 181 CA SER A 13 -4.889 13.486 -5.707 1.00 10.00 C ATOM 182 C SER A 13 -4.822 14.864 -5.091 1.00 10.00 C ATOM 183 O SER A 13 -5.810 15.591 -5.129 1.00 10.00 O ATOM 184 CB SER A 13 -5.108 12.446 -4.614 1.00 10.00 C ATOM 185 OG SER A 13 -6.311 12.688 -3.903 1.00 10.00 O ATOM 0 H SER A 13 -3.048 12.542 -5.967 1.00 10.00 H new ATOM 0 HA SER A 13 -5.725 13.452 -6.405 1.00 10.00 H new ATOM 0 HB2 SER A 13 -5.140 11.451 -5.058 1.00 10.00 H new ATOM 0 HB3 SER A 13 -4.266 12.460 -3.922 1.00 10.00 H new ATOM 0 HG SER A 13 -6.425 12.004 -3.210 1.00 10.00 H new ATOM 191 N ALA A 14 -3.651 15.281 -4.600 1.00 10.00 N ATOM 192 CA ALA A 14 -3.547 16.570 -3.932 1.00 10.00 C ATOM 193 C ALA A 14 -3.907 17.774 -4.838 1.00 10.00 C ATOM 194 O ALA A 14 -4.172 18.862 -4.326 1.00 10.00 O ATOM 195 CB ALA A 14 -2.189 16.749 -3.266 1.00 10.00 C ATOM 0 H ALA A 14 -2.780 14.752 -4.653 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.306 16.558 -3.149 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -2.149 17.723 -2.778 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -2.042 15.965 -2.524 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -1.403 16.688 -4.019 1.00 10.00 H new ATOM 201 N LYS A 15 -3.976 17.589 -6.169 1.00 10.00 N ATOM 202 CA LYS A 15 -4.523 18.563 -7.129 1.00 10.00 C ATOM 203 C LYS A 15 -5.931 19.043 -6.734 1.00 10.00 C ATOM 204 O LYS A 15 -6.279 20.207 -6.935 1.00 10.00 O ATOM 205 CB LYS A 15 -4.475 17.977 -8.558 1.00 10.00 C ATOM 206 CG LYS A 15 -5.705 17.142 -8.975 1.00 10.00 C ATOM 207 CD LYS A 15 -5.513 16.487 -10.352 1.00 10.00 C ATOM 208 CE LYS A 15 -5.528 17.509 -11.497 1.00 10.00 C ATOM 209 NZ LYS A 15 -5.312 16.854 -12.814 1.00 10.00 N ATOM 0 H LYS A 15 -3.644 16.735 -6.617 1.00 10.00 H new ATOM 0 HA LYS A 15 -3.896 19.454 -7.109 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -4.358 18.798 -9.265 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -3.586 17.352 -8.646 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -5.890 16.370 -8.228 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.587 17.782 -8.997 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -4.567 15.946 -10.365 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.302 15.753 -10.515 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -6.482 18.036 -11.504 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -4.752 18.256 -11.329 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -5.328 17.572 -13.566 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.390 16.372 -12.815 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -6.066 16.159 -12.984 1.00 10.00 H new ATOM 223 N PHE A 16 -6.720 18.151 -6.126 1.00 10.00 N ATOM 224 CA PHE A 16 -8.037 18.421 -5.564 1.00 10.00 C ATOM 225 C PHE A 16 -7.980 19.485 -4.456 1.00 10.00 C ATOM 226 O PHE A 16 -8.842 20.355 -4.396 1.00 10.00 O ATOM 227 CB PHE A 16 -8.700 17.093 -5.105 1.00 10.00 C ATOM 228 CG PHE A 16 -8.956 16.950 -3.606 1.00 10.00 C ATOM 229 CD1 PHE A 16 -10.006 17.669 -2.999 1.00 10.00 C ATOM 230 CD2 PHE A 16 -8.138 16.128 -2.807 1.00 10.00 C ATOM 231 CE1 PHE A 16 -10.207 17.602 -1.608 1.00 10.00 C ATOM 232 CE2 PHE A 16 -8.345 16.051 -1.418 1.00 10.00 C ATOM 233 CZ PHE A 16 -9.374 16.794 -0.816 1.00 10.00 C ATOM 0 H PHE A 16 -6.440 17.177 -6.010 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.670 18.850 -6.341 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.651 16.987 -5.627 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -8.067 16.265 -5.425 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -10.661 18.276 -3.606 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -7.346 15.553 -3.264 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -11.002 18.172 -1.149 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -7.712 15.419 -0.813 1.00 10.00 H new ATOM 0 HZ PHE A 16 -9.524 16.744 0.252 1.00 10.00 H new ATOM 243 N ASP A 17 -6.947 19.458 -3.610 1.00 10.00 N ATOM 244 CA ASP A 17 -6.855 20.258 -2.386 1.00 10.00 C ATOM 245 C ASP A 17 -6.764 21.784 -2.617 1.00 10.00 C ATOM 246 O ASP A 17 -7.024 22.563 -1.698 1.00 10.00 O ATOM 247 CB ASP A 17 -5.677 19.750 -1.541 1.00 10.00 C ATOM 248 CG ASP A 17 -5.682 20.314 -0.108 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.617 19.997 0.667 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.724 21.034 0.264 1.00 10.00 O ATOM 0 H ASP A 17 -6.131 18.865 -3.761 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.795 20.122 -1.851 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.710 18.661 -1.498 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.741 20.022 -2.030 1.00 10.00 H new ATOM 255 N THR A 18 -6.455 22.226 -3.844 1.00 10.00 N ATOM 256 CA THR A 18 -6.445 23.634 -4.256 1.00 10.00 C ATOM 257 C THR A 18 -7.635 24.025 -5.151 1.00 10.00 C ATOM 258 O THR A 18 -8.106 25.163 -5.094 1.00 10.00 O ATOM 259 CB THR A 18 -5.085 24.003 -4.867 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.892 25.401 -4.839 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.916 23.536 -6.310 1.00 10.00 C ATOM 0 H THR A 18 -6.197 21.592 -4.600 1.00 10.00 H new ATOM 0 HA THR A 18 -6.581 24.234 -3.356 1.00 10.00 H new ATOM 0 HB THR A 18 -4.345 23.488 -4.255 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.020 25.619 -5.230 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.932 23.832 -6.675 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.009 22.451 -6.354 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.686 23.992 -6.932 1.00 10.00 H new ATOM 269 N GLY A 19 -8.208 23.080 -5.911 1.00 10.00 N ATOM 270 CA GLY A 19 -9.456 23.300 -6.659 1.00 10.00 C ATOM 271 C GLY A 19 -10.679 23.345 -5.743 1.00 10.00 C ATOM 272 O GLY A 19 -11.528 24.224 -5.884 1.00 10.00 O ATOM 0 H GLY A 19 -7.821 22.143 -6.025 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.385 24.236 -7.213 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.583 22.504 -7.393 1.00 10.00 H new ATOM 292 N ASP A 21 -10.471 24.353 -2.724 1.00 10.00 N ATOM 293 CA ASP A 21 -10.253 25.605 -2.041 1.00 10.00 C ATOM 294 C ASP A 21 -10.759 26.817 -2.822 1.00 10.00 C ATOM 295 O ASP A 21 -11.106 27.810 -2.197 1.00 10.00 O ATOM 296 CB ASP A 21 -8.803 25.662 -1.584 1.00 10.00 C ATOM 297 CG ASP A 21 -8.373 27.036 -1.045 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.667 27.336 0.137 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.710 27.801 -1.785 1.00 10.00 O ATOM 0 HA ASP A 21 -10.870 25.654 -1.144 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.647 24.913 -0.807 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.158 25.393 -2.420 1.00 10.00 H new ATOM 304 N ASN A 22 -10.932 26.738 -4.145 1.00 10.00 N ATOM 305 CA ASN A 22 -11.640 27.777 -4.885 1.00 10.00 C ATOM 306 C ASN A 22 -13.141 27.772 -4.562 1.00 10.00 C ATOM 307 O ASN A 22 -13.818 28.795 -4.698 1.00 10.00 O ATOM 308 CB ASN A 22 -11.509 27.551 -6.395 1.00 10.00 C ATOM 309 CG ASN A 22 -10.100 27.727 -6.938 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.321 28.556 -6.486 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.735 26.974 -7.951 1.00 10.00 N ATOM 0 H ASN A 22 -10.592 25.967 -4.720 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.192 28.726 -4.590 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.852 26.544 -6.630 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -12.173 28.243 -6.912 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.806 27.081 -8.358 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.381 26.282 -8.331 1.00 10.00 H new ATOM 318 N LEU A 23 -13.675 26.610 -4.181 1.00 10.00 N ATOM 319 CA LEU A 23 -15.007 26.476 -3.637 1.00 10.00 C ATOM 320 C LEU A 23 -15.072 26.831 -2.144 1.00 10.00 C ATOM 321 O LEU A 23 -15.933 27.603 -1.739 1.00 10.00 O ATOM 322 CB LEU A 23 -15.612 25.122 -4.036 1.00 10.00 C ATOM 323 CG LEU A 23 -16.996 25.318 -4.695 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.946 26.063 -3.773 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.171 26.024 -6.036 1.00 10.00 C ATOM 0 H LEU A 23 -13.175 25.724 -4.248 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.659 27.225 -4.088 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.944 24.608 -4.727 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.709 24.487 -3.155 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.194 24.264 -4.892 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.911 26.185 -4.266 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.078 25.496 -2.852 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.532 27.044 -3.539 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.228 26.045 -6.301 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.796 27.045 -5.962 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.615 25.488 -6.805 1.00 10.00 H new ATOM 337 N GLN A 24 -14.112 26.364 -1.345 1.00 10.00 N ATOM 338 CA GLN A 24 -13.959 26.663 0.078 1.00 10.00 C ATOM 339 C GLN A 24 -13.820 28.160 0.331 1.00 10.00 C ATOM 340 O GLN A 24 -14.501 28.691 1.196 1.00 10.00 O ATOM 341 CB GLN A 24 -12.714 25.959 0.634 1.00 10.00 C ATOM 342 CG GLN A 24 -12.687 25.785 2.150 1.00 10.00 C ATOM 343 CD GLN A 24 -13.593 24.656 2.643 1.00 10.00 C ATOM 344 OE1 GLN A 24 -14.813 24.747 2.640 1.00 10.00 O ATOM 345 NE2 GLN A 24 -13.041 23.546 3.088 1.00 10.00 N ATOM 0 H GLN A 24 -13.385 25.737 -1.690 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.858 26.304 0.579 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.635 24.976 0.170 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.832 26.525 0.334 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.664 25.586 2.468 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.992 26.719 2.622 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.026 23.450 3.099 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -13.629 22.782 3.422 1.00 10.00 H new ATOM 354 N THR A 25 -12.969 28.857 -0.426 1.00 10.00 N ATOM 355 CA THR A 25 -12.783 30.306 -0.343 1.00 10.00 C ATOM 356 C THR A 25 -14.116 31.007 -0.564 1.00 10.00 C ATOM 357 O THR A 25 -14.545 31.821 0.242 1.00 10.00 O ATOM 358 CB THR A 25 -11.670 30.773 -1.298 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.192 32.048 -0.924 1.00 10.00 O ATOM 360 CG2 THR A 25 -12.031 30.826 -2.777 1.00 10.00 C ATOM 0 H THR A 25 -12.376 28.418 -1.130 1.00 10.00 H new ATOM 0 HA THR A 25 -12.443 30.581 0.656 1.00 10.00 H new ATOM 0 HB THR A 25 -10.911 29.998 -1.193 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.484 32.326 -1.542 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.169 31.169 -3.350 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.321 29.832 -3.117 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.862 31.516 -2.924 1.00 10.00 H new ATOM 368 N GLN A 26 -14.857 30.553 -1.571 1.00 10.00 N ATOM 369 CA GLN A 26 -16.218 30.981 -1.870 1.00 10.00 C ATOM 370 C GLN A 26 -17.223 30.750 -0.731 1.00 10.00 C ATOM 371 O GLN A 26 -17.904 31.695 -0.328 1.00 10.00 O ATOM 372 CB GLN A 26 -16.670 30.306 -3.177 1.00 10.00 C ATOM 373 CG GLN A 26 -16.810 31.315 -4.321 1.00 10.00 C ATOM 374 CD GLN A 26 -17.071 30.631 -5.659 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.146 30.739 -6.235 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.131 29.877 -6.189 1.00 10.00 N ATOM 0 H GLN A 26 -14.512 29.850 -2.225 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.201 32.064 -1.989 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.950 29.537 -3.457 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.624 29.805 -3.016 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.627 32.002 -4.100 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.901 31.912 -4.391 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.231 29.779 -5.719 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.303 29.391 -7.069 1.00 10.00 H new ATOM 385 N VAL A 27 -17.321 29.535 -0.175 1.00 10.00 N ATOM 386 CA VAL A 27 -18.219 29.267 0.957 1.00 10.00 C ATOM 387 C VAL A 27 -17.805 30.068 2.183 1.00 10.00 C ATOM 388 O VAL A 27 -18.640 30.571 2.924 1.00 10.00 O ATOM 389 CB VAL A 27 -18.365 27.785 1.362 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.310 26.820 0.178 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.418 27.223 2.426 1.00 10.00 C ATOM 0 H VAL A 27 -16.790 28.723 -0.490 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.196 29.579 0.588 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.355 27.835 1.814 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.419 25.797 0.537 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.119 27.049 -0.516 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.353 26.925 -0.333 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.648 26.172 2.599 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.388 27.318 2.083 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.543 27.779 3.355 1.00 10.00 H new ATOM 401 N THR A 28 -16.500 30.208 2.390 1.00 10.00 N ATOM 402 CA THR A 28 -15.935 30.959 3.495 1.00 10.00 C ATOM 403 C THR A 28 -16.169 32.444 3.333 1.00 10.00 C ATOM 404 O THR A 28 -16.240 33.159 4.318 1.00 10.00 O ATOM 405 CB THR A 28 -14.433 30.772 3.634 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.067 29.412 3.715 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.944 31.428 4.909 1.00 10.00 C ATOM 0 H THR A 28 -15.795 29.793 1.780 1.00 10.00 H new ATOM 0 HA THR A 28 -16.440 30.571 4.379 1.00 10.00 H new ATOM 0 HB THR A 28 -13.987 31.220 2.746 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.929 29.056 2.812 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.867 31.289 5.000 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.171 32.494 4.880 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.442 30.974 5.766 1.00 10.00 H new ATOM 415 N GLU A 29 -16.293 32.954 2.117 1.00 10.00 N ATOM 416 CA GLU A 29 -16.632 34.343 1.921 1.00 10.00 C ATOM 417 C GLU A 29 -18.145 34.573 2.099 1.00 10.00 C ATOM 418 O GLU A 29 -18.558 35.633 2.556 1.00 10.00 O ATOM 419 CB GLU A 29 -16.089 34.859 0.607 1.00 10.00 C ATOM 420 CG GLU A 29 -14.567 35.035 0.679 1.00 10.00 C ATOM 421 CD GLU A 29 -14.001 35.666 -0.609 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.157 35.083 -1.710 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.396 36.765 -0.531 1.00 10.00 O ATOM 0 H GLU A 29 -16.163 32.422 1.256 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.145 34.935 2.696 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.342 34.165 -0.194 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.559 35.812 0.363 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.314 35.663 1.533 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.097 34.066 0.846 1.00 10.00 H new ATOM 430 N ALA A 30 -18.992 33.580 1.804 1.00 10.00 N ATOM 431 CA ALA A 30 -20.402 33.608 2.184 1.00 10.00 C ATOM 432 C ALA A 30 -20.518 33.610 3.715 1.00 10.00 C ATOM 433 O ALA A 30 -21.314 34.333 4.311 1.00 10.00 O ATOM 434 CB ALA A 30 -21.110 32.388 1.603 1.00 10.00 C ATOM 0 H ALA A 30 -18.717 32.739 1.297 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.872 34.510 1.791 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.162 32.409 1.887 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.027 32.402 0.516 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.648 31.480 1.991 1.00 10.00 H new ATOM 440 N LEU A 31 -19.648 32.835 4.355 1.00 10.00 N ATOM 441 CA LEU A 31 -19.420 32.825 5.779 1.00 10.00 C ATOM 442 C LEU A 31 -18.754 34.106 6.296 1.00 10.00 C ATOM 443 O LEU A 31 -19.032 34.498 7.412 1.00 10.00 O ATOM 444 CB LEU A 31 -18.556 31.615 6.097 1.00 10.00 C ATOM 445 CG LEU A 31 -18.400 31.380 7.594 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.606 30.625 8.132 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.099 30.628 7.791 1.00 10.00 C ATOM 0 H LEU A 31 -19.057 32.166 3.861 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.385 32.772 6.283 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.996 30.729 5.638 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.571 31.750 5.650 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.359 32.316 8.151 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.485 30.462 9.203 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.510 31.208 7.954 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.689 29.663 7.626 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.946 30.438 8.853 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.142 29.680 7.255 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.272 31.225 7.407 1.00 10.00 H new ATOM 459 N ASP A 32 -17.925 34.813 5.531 1.00 10.00 N ATOM 460 CA ASP A 32 -17.418 36.133 5.903 1.00 10.00 C ATOM 461 C ASP A 32 -18.600 37.089 6.124 1.00 10.00 C ATOM 462 O ASP A 32 -18.570 37.926 7.029 1.00 10.00 O ATOM 463 CB ASP A 32 -16.393 36.635 4.868 1.00 10.00 C ATOM 464 CG ASP A 32 -15.983 38.096 5.112 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.177 38.353 6.038 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.449 38.983 4.357 1.00 10.00 O ATOM 0 H ASP A 32 -17.583 34.484 4.628 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.874 36.078 6.846 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.507 36.001 4.901 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.815 36.541 3.867 1.00 10.00 H new ATOM 471 N LYS A 33 -19.697 36.877 5.380 1.00 10.00 N ATOM 472 CA LYS A 33 -20.976 37.524 5.595 1.00 10.00 C ATOM 473 C LYS A 33 -21.705 36.932 6.806 1.00 10.00 C ATOM 474 O LYS A 33 -22.272 37.660 7.617 1.00 10.00 O ATOM 475 CB LYS A 33 -21.852 37.504 4.342 1.00 10.00 C ATOM 476 CG LYS A 33 -21.235 37.530 2.940 1.00 10.00 C ATOM 477 CD LYS A 33 -20.013 38.432 2.746 1.00 10.00 C ATOM 478 CE LYS A 33 -19.658 38.504 1.263 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.442 39.331 1.047 1.00 10.00 N ATOM 0 H LYS A 33 -19.706 36.229 4.592 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.770 38.572 5.815 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.470 36.608 4.401 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.523 38.360 4.410 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.953 36.512 2.673 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.005 37.843 2.235 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.222 39.431 3.129 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.168 38.043 3.314 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.492 37.499 0.876 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.494 38.927 0.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.221 39.365 0.031 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.612 40.296 1.397 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.641 38.912 1.562 1.00 10.00 H new ATOM 493 N LEU A 34 -21.727 35.604 6.940 1.00 10.00 N ATOM 494 CA LEU A 34 -22.471 34.902 7.997 1.00 10.00 C ATOM 495 C LEU A 34 -21.810 35.078 9.373 1.00 10.00 C ATOM 496 O LEU A 34 -22.413 34.878 10.414 1.00 10.00 O ATOM 497 CB LEU A 34 -22.699 33.442 7.601 1.00 10.00 C ATOM 498 CG LEU A 34 -24.140 32.939 7.823 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.311 31.659 7.070 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.637 32.561 9.200 1.00 10.00 C ATOM 0 H LEU A 34 -21.224 34.976 6.313 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.457 35.356 8.100 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.442 33.319 6.549 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.016 32.813 8.171 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.698 33.826 7.524 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.325 31.285 7.213 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.136 31.835 6.009 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.597 30.922 7.438 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.675 32.234 9.135 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -24.026 31.751 9.598 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.569 33.425 9.861 1.00 10.00 H new ATOM 512 N ALA A 35 -20.539 35.441 9.394 1.00 10.00 N ATOM 513 CA ALA A 35 -19.803 35.870 10.560 1.00 10.00 C ATOM 514 C ALA A 35 -20.082 37.381 10.860 1.00 10.00 C ATOM 515 O ALA A 35 -19.933 37.822 12.002 1.00 10.00 O ATOM 516 CB ALA A 35 -18.335 35.487 10.304 1.00 10.00 C ATOM 0 H ALA A 35 -19.966 35.443 8.550 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.116 35.377 11.480 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.726 35.788 11.157 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.259 34.408 10.167 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -17.978 35.993 9.407 1.00 10.00 H new ATOM 522 N ALA A 36 -20.504 38.172 9.849 1.00 10.00 N ATOM 523 CA ALA A 36 -20.870 39.604 9.911 1.00 10.00 C ATOM 524 C ALA A 36 -22.295 39.925 10.431 1.00 10.00 C ATOM 525 O ALA A 36 -22.453 40.733 11.351 1.00 10.00 O ATOM 526 CB ALA A 36 -20.642 40.242 8.523 1.00 10.00 C ATOM 0 H ALA A 36 -20.605 37.802 8.904 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.216 40.038 10.667 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.909 41.298 8.560 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.593 40.143 8.245 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.263 39.736 7.784 1.00 10.00 H new ATOM 532 N LYS A 37 -23.329 39.301 9.848 1.00 10.00 N ATOM 533 CA LYS A 37 -24.779 39.502 10.123 1.00 10.00 C ATOM 534 C LYS A 37 -25.512 38.138 10.114 1.00 10.00 C ATOM 535 O LYS A 37 -26.560 37.986 9.489 1.00 10.00 O ATOM 536 CB LYS A 37 -25.324 40.369 8.985 1.00 10.00 C ATOM 537 CG LYS A 37 -26.654 41.069 9.254 1.00 10.00 C ATOM 538 CD LYS A 37 -27.098 41.636 7.904 1.00 10.00 C ATOM 539 CE LYS A 37 -28.442 42.346 7.982 1.00 10.00 C ATOM 540 NZ LYS A 37 -28.389 43.618 8.751 1.00 10.00 N ATOM 0 H LYS A 37 -23.177 38.597 9.126 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.929 39.970 11.096 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.579 41.128 8.744 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.438 39.742 8.100 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.392 40.371 9.648 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.538 41.861 9.993 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.343 42.333 7.541 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.160 40.827 7.177 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -28.795 42.554 6.972 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -29.171 41.680 8.443 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -29.333 44.053 8.768 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.080 43.422 9.725 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -27.716 44.269 8.299 1.00 10.00 H new ATOM 554 N PRO A 38 -24.982 37.130 10.811 1.00 10.00 N ATOM 555 CA PRO A 38 -25.350 35.735 10.686 1.00 10.00 C ATOM 556 C PRO A 38 -26.622 35.250 10.005 1.00 10.00 C ATOM 557 O PRO A 38 -26.593 34.972 8.809 1.00 10.00 O ATOM 558 CB PRO A 38 -24.955 35.013 11.968 1.00 10.00 C ATOM 559 CG PRO A 38 -24.138 36.034 12.767 1.00 10.00 C ATOM 560 CD PRO A 38 -24.007 37.270 11.875 1.00 10.00 C ATOM 0 HA PRO A 38 -24.768 35.426 9.818 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.834 34.689 12.525 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.368 34.120 11.753 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.635 36.282 13.705 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.157 35.633 13.023 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.189 38.180 12.447 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -22.999 37.346 11.467 1.00 10.00 H new ATOM 568 N SER A 39 -27.725 35.077 10.721 1.00 10.00 N ATOM 569 CA SER A 39 -28.896 34.411 10.175 1.00 10.00 C ATOM 570 C SER A 39 -29.696 35.266 9.185 1.00 10.00 C ATOM 571 O SER A 39 -30.796 34.866 8.804 1.00 10.00 O ATOM 572 CB SER A 39 -29.720 33.756 11.276 1.00 10.00 C ATOM 573 OG SER A 39 -30.210 34.711 12.206 1.00 10.00 O ATOM 0 H SER A 39 -27.832 35.391 11.686 1.00 10.00 H new ATOM 0 HA SER A 39 -28.538 33.596 9.545 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.557 33.218 10.832 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.109 33.020 11.798 1.00 10.00 H new ATOM 0 HG SER A 39 -30.735 34.255 12.897 1.00 10.00 H new ATOM 579 N ASP A 40 -29.157 36.430 8.773 1.00 10.00 N ATOM 580 CA ASP A 40 -29.647 37.235 7.647 1.00 10.00 C ATOM 581 C ASP A 40 -29.830 36.266 6.473 1.00 10.00 C ATOM 582 O ASP A 40 -28.847 35.783 5.917 1.00 10.00 O ATOM 583 CB ASP A 40 -28.694 38.384 7.298 1.00 10.00 C ATOM 584 CG ASP A 40 -29.164 39.105 6.026 1.00 10.00 C ATOM 585 OD1 ASP A 40 -30.040 39.995 6.139 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.688 38.766 4.918 1.00 10.00 O ATOM 0 H ASP A 40 -28.345 36.844 9.231 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.589 37.720 7.902 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.647 39.090 8.127 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.686 37.996 7.152 1.00 10.00 H new ATOM 591 N PRO A 41 -31.061 35.917 6.086 1.00 10.00 N ATOM 592 CA PRO A 41 -31.253 34.808 5.167 1.00 10.00 C ATOM 593 C PRO A 41 -30.733 35.052 3.759 1.00 10.00 C ATOM 594 O PRO A 41 -30.401 34.095 3.071 1.00 10.00 O ATOM 595 CB PRO A 41 -32.753 34.558 5.179 1.00 10.00 C ATOM 596 CG PRO A 41 -33.346 35.925 5.531 1.00 10.00 C ATOM 597 CD PRO A 41 -32.322 36.508 6.492 1.00 10.00 C ATOM 0 HA PRO A 41 -30.671 33.945 5.491 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.108 34.205 4.211 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.027 33.801 5.914 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.471 36.550 4.647 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.327 35.831 5.996 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.290 37.595 6.425 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.562 36.259 7.526 1.00 10.00 H new ATOM 605 N ALA A 42 -30.617 36.301 3.322 1.00 10.00 N ATOM 606 CA ALA A 42 -30.065 36.618 2.022 1.00 10.00 C ATOM 607 C ALA A 42 -28.575 36.217 1.910 1.00 10.00 C ATOM 608 O ALA A 42 -28.181 35.609 0.911 1.00 10.00 O ATOM 609 CB ALA A 42 -30.355 38.096 1.775 1.00 10.00 C ATOM 0 H ALA A 42 -30.904 37.117 3.862 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.532 36.033 1.230 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.957 38.387 0.803 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.432 38.263 1.791 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.883 38.695 2.554 1.00 10.00 H new ATOM 615 N LEU A 43 -27.757 36.475 2.943 1.00 10.00 N ATOM 616 CA LEU A 43 -26.380 35.979 3.042 1.00 10.00 C ATOM 617 C LEU A 43 -26.268 34.517 3.529 1.00 10.00 C ATOM 618 O LEU A 43 -25.491 33.749 2.961 1.00 10.00 O ATOM 619 CB LEU A 43 -25.550 36.988 3.857 1.00 10.00 C ATOM 620 CG LEU A 43 -25.735 36.942 5.370 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.841 35.916 6.010 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.248 38.190 6.081 1.00 10.00 C ATOM 0 H LEU A 43 -28.040 37.042 3.742 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.958 35.918 2.039 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.496 36.823 3.635 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.795 37.992 3.512 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.806 36.766 5.471 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.003 35.914 7.088 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.072 34.930 5.607 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.799 36.159 5.800 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.412 38.085 7.153 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.184 38.327 5.888 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.798 39.056 5.713 1.00 10.00 H new ATOM 634 N LEU A 44 -27.022 34.098 4.555 1.00 10.00 N ATOM 635 CA LEU A 44 -26.983 32.727 5.097 1.00 10.00 C ATOM 636 C LEU A 44 -27.456 31.741 4.035 1.00 10.00 C ATOM 637 O LEU A 44 -26.910 30.645 3.941 1.00 10.00 O ATOM 638 CB LEU A 44 -27.745 32.660 6.449 1.00 10.00 C ATOM 639 CG LEU A 44 -28.626 31.458 6.848 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.708 31.007 5.862 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.806 30.223 7.147 1.00 10.00 C ATOM 0 H LEU A 44 -27.684 34.705 5.039 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.962 32.431 5.336 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.997 32.772 7.234 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.384 33.542 6.490 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.131 31.870 7.722 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.246 30.154 6.277 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.406 31.826 5.688 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.244 30.719 4.919 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.470 29.404 7.423 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.233 29.944 6.263 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.123 30.430 7.971 1.00 10.00 H new ATOM 653 N ALA A 45 -28.419 32.100 3.183 1.00 10.00 N ATOM 654 CA ALA A 45 -28.840 31.168 2.162 1.00 10.00 C ATOM 655 C ALA A 45 -27.836 31.097 1.001 1.00 10.00 C ATOM 656 O ALA A 45 -27.710 30.050 0.369 1.00 10.00 O ATOM 657 CB ALA A 45 -30.271 31.434 1.689 1.00 10.00 C ATOM 0 H ALA A 45 -28.901 32.999 3.185 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.852 30.179 2.620 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.542 30.708 0.922 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.956 31.343 2.532 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.336 32.440 1.275 1.00 10.00 H new ATOM 663 N ALA A 46 -27.073 32.165 0.747 1.00 10.00 N ATOM 664 CA ALA A 46 -25.943 32.126 -0.167 1.00 10.00 C ATOM 665 C ALA A 46 -24.805 31.256 0.396 1.00 10.00 C ATOM 666 O ALA A 46 -24.185 30.495 -0.341 1.00 10.00 O ATOM 667 CB ALA A 46 -25.462 33.546 -0.460 1.00 10.00 C ATOM 0 H ALA A 46 -27.227 33.079 1.173 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.266 31.670 -1.103 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.615 33.509 -1.145 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.271 34.118 -0.914 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.156 34.025 0.470 1.00 10.00 H new ATOM 673 N TYR A 47 -24.579 31.284 1.713 1.00 10.00 N ATOM 674 CA TYR A 47 -23.673 30.379 2.408 1.00 10.00 C ATOM 675 C TYR A 47 -24.086 28.944 2.240 1.00 10.00 C ATOM 676 O TYR A 47 -23.301 28.134 1.758 1.00 10.00 O ATOM 677 CB TYR A 47 -23.644 30.706 3.891 1.00 10.00 C ATOM 678 CG TYR A 47 -22.808 29.742 4.724 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.421 29.636 4.526 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.449 28.854 5.615 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.677 28.652 5.203 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.705 27.890 6.322 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.314 27.781 6.111 1.00 10.00 C ATOM 684 OH TYR A 47 -20.584 26.838 6.769 1.00 10.00 O ATOM 0 H TYR A 47 -25.033 31.953 2.335 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.683 30.513 1.971 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.254 31.715 4.022 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.665 30.707 4.272 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.922 30.314 3.850 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.518 28.915 5.755 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.615 28.564 5.027 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.198 27.235 7.025 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.172 26.321 7.358 1.00 10.00 H new ATOM 694 N GLN A 48 -25.332 28.648 2.597 1.00 10.00 N ATOM 695 CA GLN A 48 -25.830 27.287 2.544 1.00 10.00 C ATOM 696 C GLN A 48 -25.902 26.773 1.087 1.00 10.00 C ATOM 697 O GLN A 48 -25.784 25.580 0.815 1.00 10.00 O ATOM 698 CB GLN A 48 -27.087 27.137 3.397 1.00 10.00 C ATOM 699 CG GLN A 48 -28.351 27.646 2.746 1.00 10.00 C ATOM 700 CD GLN A 48 -29.104 26.625 1.893 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.472 25.543 2.331 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.365 26.938 0.640 1.00 10.00 N ATOM 0 H GLN A 48 -26.011 29.335 2.925 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.121 26.603 3.011 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.219 26.084 3.644 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.938 27.668 4.337 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -29.021 28.008 3.526 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.098 28.502 2.120 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -29.063 27.837 0.265 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -29.869 26.281 0.045 1.00 10.00 H new ATOM 711 N SER A 49 -26.009 27.705 0.134 1.00 10.00 N ATOM 712 CA SER A 49 -25.864 27.449 -1.298 1.00 10.00 C ATOM 713 C SER A 49 -24.438 27.027 -1.632 1.00 10.00 C ATOM 714 O SER A 49 -24.215 25.980 -2.232 1.00 10.00 O ATOM 715 CB SER A 49 -26.188 28.696 -2.152 1.00 10.00 C ATOM 716 OG SER A 49 -26.419 28.304 -3.493 1.00 10.00 O ATOM 0 H SER A 49 -26.204 28.683 0.346 1.00 10.00 H new ATOM 0 HA SER A 49 -26.571 26.654 -1.533 1.00 10.00 H new ATOM 0 HB2 SER A 49 -27.067 29.204 -1.754 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.362 29.405 -2.107 1.00 10.00 H new ATOM 0 HG SER A 49 -26.626 29.095 -4.034 1.00 10.00 H new ATOM 722 N LYS A 50 -23.450 27.814 -1.197 1.00 10.00 N ATOM 723 CA LYS A 50 -22.029 27.601 -1.470 1.00 10.00 C ATOM 724 C LYS A 50 -21.488 26.333 -0.812 1.00 10.00 C ATOM 725 O LYS A 50 -20.727 25.604 -1.429 1.00 10.00 O ATOM 726 CB LYS A 50 -21.258 28.876 -1.082 1.00 10.00 C ATOM 727 CG LYS A 50 -21.629 30.042 -2.016 1.00 10.00 C ATOM 728 CD LYS A 50 -20.515 30.377 -2.996 1.00 10.00 C ATOM 729 CE LYS A 50 -20.189 29.230 -3.959 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.557 29.559 -5.364 1.00 10.00 N ATOM 0 H LYS A 50 -23.624 28.642 -0.628 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.886 27.425 -2.536 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.485 29.144 -0.050 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.186 28.689 -1.135 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.532 29.787 -2.570 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.860 30.923 -1.418 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.801 31.257 -3.573 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.616 30.640 -2.438 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.124 29.004 -3.907 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.721 28.332 -3.646 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.529 28.695 -5.942 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.516 29.960 -5.387 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.883 30.253 -5.746 1.00 10.00 H new ATOM 744 N LEU A 51 -21.959 26.031 0.388 1.00 10.00 N ATOM 745 CA LEU A 51 -21.806 24.799 1.164 1.00 10.00 C ATOM 746 C LEU A 51 -22.234 23.575 0.339 1.00 10.00 C ATOM 747 O LEU A 51 -21.559 22.546 0.355 1.00 10.00 O ATOM 748 CB LEU A 51 -22.634 25.101 2.439 1.00 10.00 C ATOM 749 CG LEU A 51 -23.264 24.038 3.357 1.00 10.00 C ATOM 750 CD1 LEU A 51 -24.062 24.795 4.438 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.269 23.104 2.674 1.00 10.00 C ATOM 0 H LEU A 51 -22.518 26.713 0.901 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.785 24.532 1.436 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -21.989 25.704 3.078 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.454 25.743 2.118 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.442 23.423 3.724 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.528 24.079 5.115 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.389 25.441 5.001 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.834 25.401 3.963 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.657 22.392 3.402 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.092 23.691 2.266 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.774 22.564 1.867 1.00 10.00 H new ATOM 763 N SER A 52 -23.295 23.710 -0.457 1.00 10.00 N ATOM 764 CA SER A 52 -23.708 22.713 -1.437 1.00 10.00 C ATOM 765 C SER A 52 -22.893 22.763 -2.727 1.00 10.00 C ATOM 766 O SER A 52 -22.502 21.716 -3.234 1.00 10.00 O ATOM 767 CB SER A 52 -25.182 22.861 -1.799 1.00 10.00 C ATOM 768 OG SER A 52 -26.026 22.853 -0.656 1.00 10.00 O ATOM 0 H SER A 52 -23.900 24.531 -0.436 1.00 10.00 H new ATOM 0 HA SER A 52 -23.532 21.752 -0.953 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.327 23.792 -2.347 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.472 22.050 -2.467 1.00 10.00 H new ATOM 0 HG SER A 52 -25.951 23.711 -0.188 1.00 10.00 H new ATOM 774 N GLU A 53 -22.569 23.951 -3.246 1.00 10.00 N ATOM 775 CA GLU A 53 -21.726 24.112 -4.426 1.00 10.00 C ATOM 776 C GLU A 53 -20.341 23.483 -4.237 1.00 10.00 C ATOM 777 O GLU A 53 -19.726 23.015 -5.186 1.00 10.00 O ATOM 778 CB GLU A 53 -21.459 25.555 -4.808 1.00 10.00 C ATOM 779 CG GLU A 53 -22.495 26.480 -5.411 1.00 10.00 C ATOM 780 CD GLU A 53 -23.230 25.878 -6.624 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.593 25.699 -7.690 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.451 25.612 -6.530 1.00 10.00 O ATOM 0 H GLU A 53 -22.890 24.835 -2.852 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.303 23.617 -5.207 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.102 26.047 -3.904 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.625 25.534 -5.510 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.227 26.740 -4.646 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -22.009 27.407 -5.715 1.00 10.00 H new ATOM 789 N TYR A 54 -19.822 23.500 -3.014 1.00 10.00 N ATOM 790 CA TYR A 54 -18.556 22.890 -2.650 1.00 10.00 C ATOM 791 C TYR A 54 -18.649 21.359 -2.719 1.00 10.00 C ATOM 792 O TYR A 54 -17.742 20.702 -3.235 1.00 10.00 O ATOM 793 CB TYR A 54 -18.075 23.478 -1.316 1.00 10.00 C ATOM 794 CG TYR A 54 -17.495 22.484 -0.369 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.242 21.938 -0.667 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.211 22.083 0.766 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.703 20.956 0.166 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.674 21.102 1.609 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.413 20.527 1.315 1.00 10.00 C ATOM 800 OH TYR A 54 -15.896 19.570 2.133 1.00 10.00 O ATOM 0 H TYR A 54 -20.288 23.953 -2.228 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.776 23.134 -3.372 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.327 24.243 -1.521 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.915 23.975 -0.830 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.695 22.274 -1.536 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.170 22.527 0.989 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.742 20.522 -0.066 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.222 20.784 2.484 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.517 19.401 2.872 1.00 10.00 H new ATOM 843 N TYR A 57 -18.539 20.861 -6.379 1.00 10.00 N ATOM 844 CA TYR A 57 -17.137 20.822 -6.777 1.00 10.00 C ATOM 845 C TYR A 57 -16.640 19.368 -6.599 1.00 10.00 C ATOM 846 O TYR A 57 -16.002 18.793 -7.479 1.00 10.00 O ATOM 847 CB TYR A 57 -16.273 21.873 -6.047 1.00 10.00 C ATOM 848 CG TYR A 57 -14.821 21.440 -6.042 1.00 10.00 C ATOM 849 CD1 TYR A 57 -13.969 21.764 -7.115 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.419 20.485 -5.091 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.737 21.095 -7.256 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.218 19.776 -5.255 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.372 20.082 -6.343 1.00 10.00 C ATOM 854 OH TYR A 57 -11.218 19.390 -6.528 1.00 10.00 O ATOM 0 HA TYR A 57 -17.039 21.105 -7.825 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.370 22.841 -6.539 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.627 21.999 -5.024 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.259 22.522 -7.827 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.039 20.295 -4.227 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.071 21.358 -8.064 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.943 19.002 -4.554 1.00 10.00 H new ATOM 0 HH TYR A 57 -11.114 18.730 -5.811 1.00 10.00 H new ATOM 864 N ARG A 58 -17.022 18.744 -5.476 1.00 10.00 N ATOM 865 CA ARG A 58 -16.765 17.348 -5.111 1.00 10.00 C ATOM 866 C ARG A 58 -17.404 16.356 -6.092 1.00 10.00 C ATOM 867 O ARG A 58 -16.781 15.363 -6.465 1.00 10.00 O ATOM 868 CB ARG A 58 -17.273 17.146 -3.661 1.00 10.00 C ATOM 869 CG ARG A 58 -16.285 16.480 -2.703 1.00 10.00 C ATOM 870 CD ARG A 58 -15.004 17.310 -2.484 1.00 10.00 C ATOM 871 NE ARG A 58 -13.779 16.525 -2.741 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.171 15.683 -1.927 1.00 10.00 C ATOM 873 NH1 ARG A 58 -13.609 15.414 -0.730 1.00 10.00 N ATOM 874 NH2 ARG A 58 -12.088 15.091 -2.330 1.00 10.00 N ATOM 0 H ARG A 58 -17.552 19.233 -4.755 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.696 17.144 -5.166 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.549 18.118 -3.253 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.182 16.545 -3.694 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.773 16.316 -1.742 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -16.013 15.499 -3.094 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -15.020 18.180 -3.141 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -14.986 17.684 -1.460 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.352 16.649 -3.659 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -14.458 15.862 -0.385 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -13.103 14.755 -0.138 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -11.720 15.280 -3.262 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -11.605 14.437 -1.714 1.00 10.00 H new ATOM 888 N ASN A 59 -18.615 16.661 -6.559 1.00 10.00 N ATOM 889 CA ASN A 59 -19.350 15.901 -7.569 1.00 10.00 C ATOM 890 C ASN A 59 -18.685 15.991 -8.953 1.00 10.00 C ATOM 891 O ASN A 59 -18.506 14.988 -9.643 1.00 10.00 O ATOM 892 CB ASN A 59 -20.812 16.397 -7.629 1.00 10.00 C ATOM 893 CG ASN A 59 -21.718 15.433 -8.383 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.641 14.220 -8.244 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.609 15.934 -9.209 1.00 10.00 N ATOM 0 H ASN A 59 -19.131 17.477 -6.230 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.337 14.850 -7.279 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.190 16.530 -6.615 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.843 17.374 -8.112 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.229 15.313 -9.728 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.680 16.944 -9.331 1.00 10.00 H new ATOM 902 N ALA A 60 -18.257 17.196 -9.331 1.00 10.00 N ATOM 903 CA ALA A 60 -17.466 17.483 -10.518 1.00 10.00 C ATOM 904 C ALA A 60 -16.114 16.758 -10.468 1.00 10.00 C ATOM 905 O ALA A 60 -15.696 16.178 -11.466 1.00 10.00 O ATOM 906 CB ALA A 60 -17.336 19.003 -10.662 1.00 10.00 C ATOM 0 H ALA A 60 -18.465 18.035 -8.789 1.00 10.00 H new ATOM 0 HA ALA A 60 -17.965 17.102 -11.409 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.745 19.235 -11.548 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.327 19.445 -10.761 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.843 19.411 -9.780 1.00 10.00 H new ATOM 912 N GLN A 61 -15.505 16.660 -9.281 1.00 10.00 N ATOM 913 CA GLN A 61 -14.337 15.839 -8.939 1.00 10.00 C ATOM 914 C GLN A 61 -14.654 14.330 -8.799 1.00 10.00 C ATOM 915 O GLN A 61 -13.963 13.548 -8.149 1.00 10.00 O ATOM 916 CB GLN A 61 -13.646 16.453 -7.732 1.00 10.00 C ATOM 917 CG GLN A 61 -12.272 15.827 -7.411 1.00 10.00 C ATOM 918 CD GLN A 61 -12.241 15.311 -5.973 1.00 10.00 C ATOM 919 OE1 GLN A 61 -12.025 16.044 -5.016 1.00 10.00 O ATOM 920 NE2 GLN A 61 -12.511 14.044 -5.756 1.00 10.00 N ATOM 0 H GLN A 61 -15.839 17.190 -8.476 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.637 15.854 -9.774 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.516 17.521 -7.905 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.294 16.348 -6.862 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -12.069 15.009 -8.102 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.486 16.568 -7.555 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -12.693 13.420 -6.542 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -12.538 13.685 -4.802 1.00 10.00 H new ATOM 929 N SER A 62 -15.738 13.924 -9.439 1.00 10.00 N ATOM 930 CA SER A 62 -16.170 12.557 -9.698 1.00 10.00 C ATOM 931 C SER A 62 -16.805 12.453 -11.099 1.00 10.00 C ATOM 932 O SER A 62 -17.466 11.472 -11.439 1.00 10.00 O ATOM 933 CB SER A 62 -17.090 12.082 -8.584 1.00 10.00 C ATOM 934 OG SER A 62 -17.133 10.661 -8.561 1.00 10.00 O ATOM 0 H SER A 62 -16.397 14.600 -9.825 1.00 10.00 H new ATOM 0 HA SER A 62 -15.309 11.889 -9.700 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.737 12.459 -7.624 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.093 12.482 -8.734 1.00 10.00 H new ATOM 0 HG SER A 62 -17.726 10.363 -7.840 1.00 10.00 H new ATOM 940 N ASN A 63 -16.546 13.467 -11.936 1.00 10.00 N ATOM 941 CA ASN A 63 -16.969 13.618 -13.316 1.00 10.00 C ATOM 942 C ASN A 63 -15.757 13.798 -14.225 1.00 10.00 C ATOM 943 O ASN A 63 -15.554 13.034 -15.156 1.00 10.00 O ATOM 944 CB ASN A 63 -17.939 14.809 -13.402 1.00 10.00 C ATOM 945 CG ASN A 63 -18.917 14.716 -14.566 1.00 10.00 C ATOM 946 OD1 ASN A 63 -19.191 13.660 -15.119 1.00 10.00 O ATOM 947 ND2 ASN A 63 -19.473 15.829 -14.991 1.00 10.00 N ATOM 0 H ASN A 63 -15.988 14.264 -11.630 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.487 12.721 -13.656 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.501 14.877 -12.471 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.363 15.730 -13.495 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.126 15.806 -15.775 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -19.252 16.715 -14.537 1.00 10.00 H new ATOM 954 N THR A 64 -14.875 14.725 -13.863 1.00 10.00 N ATOM 955 CA THR A 64 -13.535 14.934 -14.437 1.00 10.00 C ATOM 956 C THR A 64 -12.711 13.649 -14.531 1.00 10.00 C ATOM 957 O THR A 64 -12.171 13.266 -15.564 1.00 10.00 O ATOM 958 CB THR A 64 -12.833 16.006 -13.604 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.576 16.334 -14.137 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.682 15.628 -12.131 1.00 10.00 C ATOM 0 H THR A 64 -15.081 15.392 -13.119 1.00 10.00 H new ATOM 0 HA THR A 64 -13.639 15.266 -15.470 1.00 10.00 H new ATOM 0 HB THR A 64 -13.485 16.878 -13.652 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.017 15.530 -14.175 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.176 16.433 -11.599 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.667 15.467 -11.694 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.095 14.713 -12.048 1.00 10.00 H new ATOM 968 N VAL A 65 -12.788 12.891 -13.450 1.00 10.00 N ATOM 969 CA VAL A 65 -12.289 11.538 -13.192 1.00 10.00 C ATOM 970 C VAL A 65 -12.762 10.492 -14.222 1.00 10.00 C ATOM 971 O VAL A 65 -12.093 9.488 -14.463 1.00 10.00 O ATOM 972 CB VAL A 65 -12.797 11.151 -11.787 1.00 10.00 C ATOM 973 CG1 VAL A 65 -11.904 10.116 -11.110 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.904 12.314 -10.802 1.00 10.00 C ATOM 0 H VAL A 65 -13.262 13.252 -12.622 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.202 11.544 -13.266 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.792 10.758 -11.997 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.305 9.878 -10.125 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -11.871 9.211 -11.717 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -10.897 10.518 -11.004 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.269 11.946 -9.843 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -11.922 12.768 -10.667 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.597 13.059 -11.192 1.00 10.00 H new ATOM 984 N LYS A 66 -13.911 10.763 -14.851 1.00 10.00 N ATOM 985 CA LYS A 66 -14.639 10.006 -15.870 1.00 10.00 C ATOM 986 C LYS A 66 -14.724 10.771 -17.215 1.00 10.00 C ATOM 987 O LYS A 66 -15.436 10.362 -18.131 1.00 10.00 O ATOM 988 CB LYS A 66 -16.047 9.704 -15.313 1.00 10.00 C ATOM 989 CG LYS A 66 -16.163 8.535 -14.319 1.00 10.00 C ATOM 990 CD LYS A 66 -15.699 8.877 -12.894 1.00 10.00 C ATOM 991 CE LYS A 66 -16.435 8.004 -11.866 1.00 10.00 C ATOM 992 NZ LYS A 66 -16.229 8.477 -10.471 1.00 10.00 N ATOM 0 H LYS A 66 -14.411 11.624 -14.629 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.106 9.080 -16.085 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.419 10.604 -14.824 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.709 9.501 -16.155 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -17.201 8.204 -14.282 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.574 7.696 -14.690 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.623 8.722 -12.808 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.887 9.930 -12.687 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -17.501 8.001 -12.092 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -16.088 6.974 -11.953 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.473 7.715 -9.807 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -15.233 8.746 -10.339 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -16.837 9.301 -10.291 1.00 10.00 H new ATOM 1006 N VAL A 67 -13.952 11.851 -17.353 1.00 10.00 N ATOM 1007 CA VAL A 67 -13.764 12.710 -18.523 1.00 10.00 C ATOM 1008 C VAL A 67 -12.347 12.598 -19.052 1.00 10.00 C ATOM 1009 O VAL A 67 -12.146 12.627 -20.260 1.00 10.00 O ATOM 1010 CB VAL A 67 -14.117 14.144 -18.141 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -13.516 15.224 -19.024 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -15.629 14.252 -18.092 1.00 10.00 C ATOM 0 H VAL A 67 -13.387 12.178 -16.569 1.00 10.00 H new ATOM 0 HA VAL A 67 -14.424 12.389 -19.329 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.666 14.336 -17.167 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -13.830 16.204 -18.665 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -12.429 15.157 -18.992 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -13.858 15.087 -20.050 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.913 15.269 -17.821 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -16.043 14.009 -19.071 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -16.020 13.556 -17.350 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.367 12.387 -18.175 1.00 10.00 N ATOM 1023 CA PHE A 68 -10.016 12.000 -18.567 1.00 10.00 C ATOM 1024 C PHE A 68 -10.100 10.680 -19.370 1.00 10.00 C ATOM 1025 O PHE A 68 -9.376 10.470 -20.343 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.152 11.921 -17.303 1.00 10.00 C ATOM 1027 CG PHE A 68 -8.689 13.282 -16.807 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -7.858 14.084 -17.614 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.114 13.769 -15.555 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.482 15.371 -17.187 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.756 15.062 -15.136 1.00 10.00 C ATOM 1032 CZ PHE A 68 -7.941 15.865 -15.953 1.00 10.00 C ATOM 0 H PHE A 68 -11.490 12.481 -17.167 1.00 10.00 H new ATOM 0 HA PHE A 68 -9.540 12.730 -19.222 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.719 11.428 -16.514 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.280 11.299 -17.505 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -7.508 13.709 -18.565 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.718 13.145 -14.913 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -6.841 15.980 -17.807 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.107 15.439 -14.187 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.668 16.860 -15.633 1.00 10.00 H new