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 -114:sc= 0.552 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 172:sc= 0.605 (180deg=0) USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= -0.157 USER MOD Set 2.2: A 61 GLN : amide:sc= 0.85 K(o=0.69,f=-7.9!) 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 -170:sc= 0.969 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=-0.25) USER MOD Single : A 24 GLN : amide:sc= -0.0127 K(o=-0.013,f=-1.3) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.775 K(o=0.78,f=-0.0024) USER MOD Single : A 28 THR OG1 : rot 70:sc= 1.26 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= -0.0303 X(o=-0.03,f=-0.064) USER MOD Single : A 49 SER OG : rot 80:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= -0.104 (180deg=-0.131) USER MOD Single : A 52 SER OG : rot 76:sc= 0.0819 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) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -14.871 9.712 -1.800 1.00 10.00 N ATOM 59 CA TRP A 5 -13.852 10.606 -1.261 1.00 10.00 C ATOM 60 C TRP A 5 -13.818 10.749 0.265 1.00 10.00 C ATOM 61 O TRP A 5 -12.735 10.996 0.786 1.00 10.00 O ATOM 62 CB TRP A 5 -14.000 11.967 -1.944 1.00 10.00 C ATOM 63 CG TRP A 5 -15.271 12.721 -1.675 1.00 10.00 C ATOM 64 CD1 TRP A 5 -16.443 12.551 -2.332 1.00 10.00 C ATOM 65 CD2 TRP A 5 -15.510 13.794 -0.711 1.00 10.00 C ATOM 66 NE1 TRP A 5 -17.390 13.421 -1.828 1.00 10.00 N ATOM 67 CE2 TRP A 5 -16.868 14.218 -0.831 1.00 10.00 C ATOM 68 CE3 TRP A 5 -14.711 14.462 0.242 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -17.407 15.246 -0.044 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -15.240 15.503 1.033 1.00 10.00 C ATOM 71 CH2 TRP A 5 -16.583 15.896 0.892 1.00 10.00 C ATOM 0 HA TRP A 5 -12.890 10.145 -1.484 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -13.162 12.594 -1.640 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -13.913 11.819 -3.020 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -16.612 11.842 -3.129 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -18.356 13.468 -2.153 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -13.678 14.171 0.367 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -18.442 15.535 -0.155 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -14.609 16.002 1.753 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -16.980 16.695 1.501 1.00 10.00 H new ATOM 82 N SER A 6 -14.904 10.553 1.021 1.00 10.00 N ATOM 83 CA SER A 6 -14.852 10.711 2.492 1.00 10.00 C ATOM 84 C SER A 6 -14.041 9.618 3.212 1.00 10.00 C ATOM 85 O SER A 6 -13.494 9.866 4.288 1.00 10.00 O ATOM 86 CB SER A 6 -16.249 10.835 3.116 1.00 10.00 C ATOM 87 OG SER A 6 -16.954 9.604 3.140 1.00 10.00 O ATOM 0 H SER A 6 -15.818 10.289 0.654 1.00 10.00 H new ATOM 0 HA SER A 6 -14.318 11.649 2.644 1.00 10.00 H new ATOM 0 HB2 SER A 6 -16.155 11.214 4.134 1.00 10.00 H new ATOM 0 HB3 SER A 6 -16.828 11.569 2.555 1.00 10.00 H new ATOM 0 HG SER A 6 -17.835 9.739 3.548 1.00 10.00 H new ATOM 93 N GLY A 7 -13.889 8.437 2.597 1.00 10.00 N ATOM 94 CA GLY A 7 -13.099 7.310 3.124 1.00 10.00 C ATOM 95 C GLY A 7 -11.616 7.312 2.714 1.00 10.00 C ATOM 96 O GLY A 7 -10.847 6.466 3.175 1.00 10.00 O ATOM 0 H GLY A 7 -14.322 8.231 1.697 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -13.160 7.320 4.212 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -13.553 6.378 2.787 1.00 10.00 H new ATOM 100 N TYR A 8 -11.213 8.264 1.865 1.00 10.00 N ATOM 101 CA TYR A 8 -9.902 8.388 1.218 1.00 10.00 C ATOM 102 C TYR A 8 -9.427 9.858 1.132 1.00 10.00 C ATOM 103 O TYR A 8 -8.483 10.199 0.414 1.00 10.00 O ATOM 104 CB TYR A 8 -10.015 7.772 -0.187 1.00 10.00 C ATOM 105 CG TYR A 8 -10.412 6.305 -0.221 1.00 10.00 C ATOM 106 CD1 TYR A 8 -9.447 5.309 0.026 1.00 10.00 C ATOM 107 CD2 TYR A 8 -11.747 5.939 -0.493 1.00 10.00 C ATOM 108 CE1 TYR A 8 -9.812 3.949 0.007 1.00 10.00 C ATOM 109 CE2 TYR A 8 -12.116 4.579 -0.510 1.00 10.00 C ATOM 110 CZ TYR A 8 -11.150 3.580 -0.260 1.00 10.00 C ATOM 111 OH TYR A 8 -11.515 2.268 -0.281 1.00 10.00 O ATOM 0 H TYR A 8 -11.839 9.022 1.593 1.00 10.00 H new ATOM 0 HA TYR A 8 -9.156 7.862 1.815 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -10.746 8.343 -0.759 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -9.056 7.884 -0.694 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -8.424 5.589 0.231 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -12.487 6.701 -0.688 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -9.070 3.188 0.196 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -13.139 4.300 -0.715 1.00 10.00 H new ATOM 0 HH TYR A 8 -12.472 2.198 -0.479 1.00 10.00 H new ATOM 121 N LEU A 9 -10.107 10.732 1.876 1.00 10.00 N ATOM 122 CA LEU A 9 -10.041 12.191 1.827 1.00 10.00 C ATOM 123 C LEU A 9 -8.643 12.793 1.678 1.00 10.00 C ATOM 124 O LEU A 9 -8.403 13.550 0.742 1.00 10.00 O ATOM 125 CB LEU A 9 -10.803 12.730 3.057 1.00 10.00 C ATOM 126 CG LEU A 9 -10.706 14.252 3.252 1.00 10.00 C ATOM 127 CD1 LEU A 9 -11.296 15.048 2.097 1.00 10.00 C ATOM 128 CD2 LEU A 9 -11.442 14.664 4.524 1.00 10.00 C ATOM 0 H LEU A 9 -10.769 10.412 2.583 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.516 12.514 0.901 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.854 12.454 2.967 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.420 12.237 3.950 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.641 14.477 3.312 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.194 16.114 2.300 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -10.766 14.802 1.177 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.351 14.799 1.985 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -11.368 15.744 4.654 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -12.491 14.379 4.446 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -10.993 14.164 5.382 1.00 10.00 H new ATOM 140 N ASP A 10 -7.724 12.462 2.580 1.00 10.00 N ATOM 141 CA ASP A 10 -6.415 13.126 2.665 1.00 10.00 C ATOM 142 C ASP A 10 -5.418 12.704 1.556 1.00 10.00 C ATOM 143 O ASP A 10 -4.266 13.138 1.544 1.00 10.00 O ATOM 144 CB ASP A 10 -5.848 12.904 4.077 1.00 10.00 C ATOM 145 CG ASP A 10 -4.676 13.844 4.416 1.00 10.00 C ATOM 146 OD1 ASP A 10 -4.845 15.085 4.323 1.00 10.00 O ATOM 147 OD2 ASP A 10 -3.601 13.352 4.841 1.00 10.00 O ATOM 0 H ASP A 10 -7.860 11.728 3.275 1.00 10.00 H new ATOM 0 HA ASP A 10 -6.564 14.191 2.487 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -6.644 13.048 4.808 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.514 11.870 4.169 1.00 10.00 H new ATOM 152 N ASP A 11 -5.864 11.885 0.598 1.00 10.00 N ATOM 153 CA ASP A 11 -5.144 11.549 -0.639 1.00 10.00 C ATOM 154 C ASP A 11 -5.925 11.958 -1.895 1.00 10.00 C ATOM 155 O ASP A 11 -5.333 12.375 -2.892 1.00 10.00 O ATOM 156 CB ASP A 11 -4.803 10.052 -0.636 1.00 10.00 C ATOM 157 CG ASP A 11 -3.950 9.651 -1.852 1.00 10.00 C ATOM 158 OD1 ASP A 11 -2.744 9.995 -1.885 1.00 10.00 O ATOM 159 OD2 ASP A 11 -4.473 8.966 -2.763 1.00 10.00 O ATOM 0 H ASP A 11 -6.769 11.420 0.663 1.00 10.00 H new ATOM 0 HA ASP A 11 -4.217 12.122 -0.669 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -4.267 9.805 0.280 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -5.725 9.470 -0.633 1.00 10.00 H new ATOM 164 N VAL A 12 -7.255 11.919 -1.819 1.00 10.00 N ATOM 165 CA VAL A 12 -8.170 12.323 -2.879 1.00 10.00 C ATOM 166 C VAL A 12 -8.271 13.838 -2.954 1.00 10.00 C ATOM 167 O VAL A 12 -7.803 14.440 -3.915 1.00 10.00 O ATOM 168 CB VAL A 12 -9.537 11.659 -2.640 1.00 10.00 C ATOM 169 CG1 VAL A 12 -10.609 12.141 -3.620 1.00 10.00 C ATOM 170 CG2 VAL A 12 -9.363 10.146 -2.820 1.00 10.00 C ATOM 0 H VAL A 12 -7.741 11.592 -0.984 1.00 10.00 H new ATOM 0 HA VAL A 12 -7.791 11.989 -3.845 1.00 10.00 H new ATOM 0 HB VAL A 12 -9.869 11.923 -1.636 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -11.552 11.639 -3.404 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -10.739 13.218 -3.516 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -10.300 11.910 -4.640 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -10.319 9.648 -2.656 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -9.014 9.938 -3.831 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -8.633 9.776 -2.101 1.00 10.00 H new ATOM 180 N SER A 13 -8.815 14.463 -1.910 1.00 10.00 N ATOM 181 CA SER A 13 -8.989 15.911 -1.804 1.00 10.00 C ATOM 182 C SER A 13 -7.671 16.661 -1.888 1.00 10.00 C ATOM 183 O SER A 13 -7.605 17.741 -2.469 1.00 10.00 O ATOM 184 CB SER A 13 -9.685 16.254 -0.489 1.00 10.00 C ATOM 185 OG SER A 13 -9.953 17.643 -0.368 1.00 10.00 O ATOM 0 H SER A 13 -9.157 13.961 -1.091 1.00 10.00 H new ATOM 0 HA SER A 13 -9.601 16.224 -2.650 1.00 10.00 H new ATOM 0 HB2 SER A 13 -10.620 15.698 -0.420 1.00 10.00 H new ATOM 0 HB3 SER A 13 -9.061 15.933 0.345 1.00 10.00 H new ATOM 0 HG SER A 13 -10.251 17.840 0.544 1.00 10.00 H new ATOM 191 N ALA A 14 -6.608 16.066 -1.347 1.00 10.00 N ATOM 192 CA ALA A 14 -5.289 16.668 -1.313 1.00 10.00 C ATOM 193 C ALA A 14 -4.744 17.022 -2.716 1.00 10.00 C ATOM 194 O ALA A 14 -4.161 18.090 -2.916 1.00 10.00 O ATOM 195 CB ALA A 14 -4.360 15.706 -0.589 1.00 10.00 C ATOM 0 H ALA A 14 -6.646 15.142 -0.917 1.00 10.00 H new ATOM 0 HA ALA A 14 -5.352 17.619 -0.785 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -3.357 16.131 -0.547 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -4.726 15.539 0.424 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -4.330 14.757 -1.125 1.00 10.00 H new ATOM 201 N LYS A 15 -5.003 16.153 -3.704 1.00 10.00 N ATOM 202 CA LYS A 15 -4.710 16.328 -5.138 1.00 10.00 C ATOM 203 C LYS A 15 -5.435 17.528 -5.788 1.00 10.00 C ATOM 204 O LYS A 15 -5.035 17.989 -6.857 1.00 10.00 O ATOM 205 CB LYS A 15 -4.927 14.963 -5.838 1.00 10.00 C ATOM 206 CG LYS A 15 -5.747 14.958 -7.137 1.00 10.00 C ATOM 207 CD LYS A 15 -5.969 13.542 -7.691 1.00 10.00 C ATOM 208 CE LYS A 15 -4.689 12.802 -8.112 1.00 10.00 C ATOM 209 NZ LYS A 15 -4.035 13.424 -9.294 1.00 10.00 N ATOM 0 H LYS A 15 -5.449 15.255 -3.514 1.00 10.00 H new ATOM 0 HA LYS A 15 -3.667 16.616 -5.268 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -3.948 14.537 -6.056 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -5.415 14.294 -5.129 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -6.713 15.428 -6.954 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -5.236 15.562 -7.887 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -6.482 12.948 -6.934 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.634 13.605 -8.552 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -3.988 12.791 -7.277 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -4.931 11.764 -8.339 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -3.177 12.889 -9.538 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.692 13.412 -10.100 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -3.778 14.407 -9.071 1.00 10.00 H new ATOM 223 N PHE A 16 -6.447 18.071 -5.111 1.00 10.00 N ATOM 224 CA PHE A 16 -7.311 19.176 -5.518 1.00 10.00 C ATOM 225 C PHE A 16 -7.334 20.350 -4.529 1.00 10.00 C ATOM 226 O PHE A 16 -8.087 21.302 -4.731 1.00 10.00 O ATOM 227 CB PHE A 16 -8.734 18.644 -5.718 1.00 10.00 C ATOM 228 CG PHE A 16 -8.878 17.422 -6.607 1.00 10.00 C ATOM 229 CD1 PHE A 16 -8.754 17.528 -8.005 1.00 10.00 C ATOM 230 CD2 PHE A 16 -9.160 16.171 -6.029 1.00 10.00 C ATOM 231 CE1 PHE A 16 -8.927 16.392 -8.819 1.00 10.00 C ATOM 232 CE2 PHE A 16 -9.337 15.034 -6.838 1.00 10.00 C ATOM 233 CZ PHE A 16 -9.224 15.145 -8.237 1.00 10.00 C ATOM 0 H PHE A 16 -6.703 17.719 -4.188 1.00 10.00 H new ATOM 0 HA PHE A 16 -6.899 19.573 -6.446 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.151 18.406 -4.739 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -9.343 19.445 -6.137 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -8.526 18.483 -8.455 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -9.241 16.083 -4.956 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -8.832 16.478 -9.891 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -9.559 14.078 -6.387 1.00 10.00 H new ATOM 0 HZ PHE A 16 -9.365 14.276 -8.862 1.00 10.00 H new ATOM 243 N ASP A 17 -6.499 20.318 -3.488 1.00 10.00 N ATOM 244 CA ASP A 17 -6.546 21.226 -2.336 1.00 10.00 C ATOM 245 C ASP A 17 -6.442 22.739 -2.641 1.00 10.00 C ATOM 246 O ASP A 17 -6.819 23.553 -1.799 1.00 10.00 O ATOM 247 CB ASP A 17 -5.465 20.789 -1.336 1.00 10.00 C ATOM 248 CG ASP A 17 -5.578 21.489 0.030 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.569 21.239 0.758 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.648 22.244 0.403 1.00 10.00 O ATOM 0 H ASP A 17 -5.744 19.635 -3.420 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.550 21.132 -1.922 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.530 19.711 -1.190 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.483 20.994 -1.761 1.00 10.00 H new ATOM 255 N THR A 18 -5.993 23.135 -3.840 1.00 10.00 N ATOM 256 CA THR A 18 -5.923 24.530 -4.298 1.00 10.00 C ATOM 257 C THR A 18 -7.023 24.932 -5.302 1.00 10.00 C ATOM 258 O THR A 18 -7.323 26.118 -5.432 1.00 10.00 O ATOM 259 CB THR A 18 -4.518 24.848 -4.832 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.274 26.240 -4.849 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.273 24.300 -6.236 1.00 10.00 C ATOM 0 H THR A 18 -5.658 22.473 -4.540 1.00 10.00 H new ATOM 0 HA THR A 18 -6.120 25.145 -3.420 1.00 10.00 H new ATOM 0 HB THR A 18 -3.832 24.354 -4.144 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.372 26.410 -5.192 1.00 10.00 H new ATOM 0 HG21 THR A 18 -3.263 24.558 -6.556 1.00 10.00 H new ATOM 0 HG22 THR A 18 -4.385 23.216 -6.228 1.00 10.00 H new ATOM 0 HG23 THR A 18 -4.995 24.735 -6.927 1.00 10.00 H new ATOM 269 N GLY A 19 -7.666 23.972 -5.984 1.00 10.00 N ATOM 270 CA GLY A 19 -8.823 24.227 -6.864 1.00 10.00 C ATOM 271 C GLY A 19 -10.134 24.160 -6.088 1.00 10.00 C ATOM 272 O GLY A 19 -10.995 25.022 -6.248 1.00 10.00 O ATOM 0 H GLY A 19 -7.398 22.989 -5.942 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -8.721 25.209 -7.327 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -8.838 23.494 -7.671 1.00 10.00 H new ATOM 292 N ASP A 21 -10.216 24.949 -3.073 1.00 10.00 N ATOM 293 CA ASP A 21 -10.060 26.173 -2.330 1.00 10.00 C ATOM 294 C ASP A 21 -10.563 27.411 -3.074 1.00 10.00 C ATOM 295 O ASP A 21 -10.922 28.379 -2.419 1.00 10.00 O ATOM 296 CB ASP A 21 -8.630 26.239 -1.818 1.00 10.00 C ATOM 297 CG ASP A 21 -8.248 27.589 -1.188 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.611 27.828 -0.011 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.554 28.395 -1.853 1.00 10.00 O ATOM 0 HA ASP A 21 -10.718 26.169 -1.461 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.484 25.451 -1.079 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -7.950 26.031 -2.644 1.00 10.00 H new ATOM 304 N ASN A 22 -10.707 27.385 -4.402 1.00 10.00 N ATOM 305 CA ASN A 22 -11.414 28.446 -5.111 1.00 10.00 C ATOM 306 C ASN A 22 -12.921 28.399 -4.825 1.00 10.00 C ATOM 307 O ASN A 22 -13.613 29.415 -4.910 1.00 10.00 O ATOM 308 CB ASN A 22 -11.248 28.287 -6.626 1.00 10.00 C ATOM 309 CG ASN A 22 -9.831 28.503 -7.133 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.072 29.323 -6.631 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.436 27.795 -8.167 1.00 10.00 N ATOM 0 H ASN A 22 -10.344 26.644 -5.002 1.00 10.00 H new ATOM 0 HA ASN A 22 -10.989 29.388 -4.765 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.573 27.286 -6.911 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -11.911 28.993 -7.127 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.500 27.929 -8.549 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.065 27.111 -8.587 1.00 10.00 H new ATOM 318 N LEU A 23 -13.440 27.210 -4.518 1.00 10.00 N ATOM 319 CA LEU A 23 -14.781 27.029 -4.016 1.00 10.00 C ATOM 320 C LEU A 23 -14.878 27.314 -2.511 1.00 10.00 C ATOM 321 O LEU A 23 -15.740 28.076 -2.087 1.00 10.00 O ATOM 322 CB LEU A 23 -15.332 25.673 -4.467 1.00 10.00 C ATOM 323 CG LEU A 23 -16.704 25.837 -5.148 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.694 26.543 -4.245 1.00 10.00 C ATOM 325 CD2 LEU A 23 -16.873 26.544 -6.489 1.00 10.00 C ATOM 0 H LEU A 23 -12.922 26.337 -4.617 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.440 27.777 -4.457 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.632 25.203 -5.158 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.425 25.009 -3.607 1.00 10.00 H new ATOM 0 HG LEU A 23 -16.866 24.779 -5.353 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.650 26.641 -4.759 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -17.831 25.964 -3.332 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.315 27.533 -3.993 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -17.925 26.539 -6.773 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.525 27.573 -6.404 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.290 26.025 -7.250 1.00 10.00 H new ATOM 337 N GLN A 24 -13.942 26.792 -1.717 1.00 10.00 N ATOM 338 CA GLN A 24 -13.828 27.018 -0.278 1.00 10.00 C ATOM 339 C GLN A 24 -13.704 28.502 0.060 1.00 10.00 C ATOM 340 O GLN A 24 -14.387 28.969 0.957 1.00 10.00 O ATOM 341 CB GLN A 24 -12.605 26.277 0.279 1.00 10.00 C ATOM 342 CG GLN A 24 -12.632 26.003 1.780 1.00 10.00 C ATOM 343 CD GLN A 24 -13.564 24.857 2.179 1.00 10.00 C ATOM 344 OE1 GLN A 24 -14.778 24.921 2.043 1.00 10.00 O ATOM 345 NE2 GLN A 24 -13.044 23.764 2.698 1.00 10.00 N ATOM 0 H GLN A 24 -13.213 26.175 -2.075 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.741 26.637 0.179 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.508 25.326 -0.245 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.713 26.860 0.049 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.621 25.772 2.116 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -12.942 26.909 2.300 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.034 23.688 2.821 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -13.651 22.993 2.977 1.00 10.00 H new ATOM 354 N THR A 25 -12.870 29.261 -0.657 1.00 10.00 N ATOM 355 CA THR A 25 -12.708 30.706 -0.476 1.00 10.00 C ATOM 356 C THR A 25 -14.043 31.410 -0.673 1.00 10.00 C ATOM 357 O THR A 25 -14.495 32.162 0.181 1.00 10.00 O ATOM 358 CB THR A 25 -11.587 31.256 -1.375 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.162 32.514 -0.899 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.905 31.386 -2.859 1.00 10.00 C ATOM 0 H THR A 25 -12.277 28.880 -1.394 1.00 10.00 H new ATOM 0 HA THR A 25 -12.391 30.909 0.547 1.00 10.00 H new ATOM 0 HB THR A 25 -10.808 30.497 -1.311 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.447 32.857 -1.475 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.036 31.784 -3.384 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.156 30.406 -3.264 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.750 32.061 -2.992 1.00 10.00 H new ATOM 368 N GLN A 26 -14.758 31.024 -1.726 1.00 10.00 N ATOM 369 CA GLN A 26 -16.124 31.450 -2.016 1.00 10.00 C ATOM 370 C GLN A 26 -17.124 31.138 -0.891 1.00 10.00 C ATOM 371 O GLN A 26 -17.823 32.045 -0.434 1.00 10.00 O ATOM 372 CB GLN A 26 -16.564 30.822 -3.358 1.00 10.00 C ATOM 373 CG GLN A 26 -16.829 31.844 -4.472 1.00 10.00 C ATOM 374 CD GLN A 26 -15.619 32.708 -4.838 1.00 10.00 C ATOM 375 OE1 GLN A 26 -15.671 33.929 -4.806 1.00 10.00 O ATOM 376 NE2 GLN A 26 -14.497 32.131 -5.217 1.00 10.00 N ATOM 0 H GLN A 26 -14.388 30.382 -2.427 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.125 32.537 -2.091 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.793 30.128 -3.692 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.469 30.237 -3.194 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.164 31.313 -5.363 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -17.646 32.496 -4.163 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.433 31.114 -5.251 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -13.692 32.702 -5.477 1.00 10.00 H new ATOM 385 N VAL A 27 -17.201 29.890 -0.410 1.00 10.00 N ATOM 386 CA VAL A 27 -18.109 29.534 0.688 1.00 10.00 C ATOM 387 C VAL A 27 -17.717 30.235 1.978 1.00 10.00 C ATOM 388 O VAL A 27 -18.567 30.671 2.744 1.00 10.00 O ATOM 389 CB VAL A 27 -18.257 28.026 0.971 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.173 27.162 -0.285 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.334 27.384 2.010 1.00 10.00 C ATOM 0 H VAL A 27 -16.646 29.111 -0.764 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.081 29.876 0.333 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.257 28.035 1.405 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.285 26.112 -0.013 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -18.968 27.445 -0.975 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.206 27.311 -0.765 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.563 26.322 2.093 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.296 27.508 1.701 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.485 27.864 2.977 1.00 10.00 H new ATOM 401 N THR A 28 -16.415 30.365 2.215 1.00 10.00 N ATOM 402 CA THR A 28 -15.877 31.032 3.386 1.00 10.00 C ATOM 403 C THR A 28 -16.134 32.519 3.337 1.00 10.00 C ATOM 404 O THR A 28 -16.234 33.150 4.375 1.00 10.00 O ATOM 405 CB THR A 28 -14.373 30.862 3.538 1.00 10.00 C ATOM 406 OG1 THR A 28 -13.984 29.507 3.523 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.919 31.428 4.871 1.00 10.00 C ATOM 0 H THR A 28 -15.697 30.003 1.587 1.00 10.00 H new ATOM 0 HA THR A 28 -16.386 30.562 4.227 1.00 10.00 H new ATOM 0 HB THR A 28 -13.919 31.385 2.696 1.00 10.00 H new ATOM 0 HG1 THR A 28 -14.110 29.140 2.623 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.841 31.302 4.972 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.167 32.488 4.919 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.423 30.901 5.681 1.00 10.00 H new ATOM 415 N GLU A 29 -16.244 33.122 2.164 1.00 10.00 N ATOM 416 CA GLU A 29 -16.603 34.517 2.075 1.00 10.00 C ATOM 417 C GLU A 29 -18.118 34.715 2.260 1.00 10.00 C ATOM 418 O GLU A 29 -18.544 35.739 2.779 1.00 10.00 O ATOM 419 CB GLU A 29 -16.055 35.136 0.809 1.00 10.00 C ATOM 420 CG GLU A 29 -14.538 35.337 0.922 1.00 10.00 C ATOM 421 CD GLU A 29 -13.971 36.103 -0.289 1.00 10.00 C ATOM 422 OE1 GLU A 29 -13.980 35.567 -1.424 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.511 37.259 -0.116 1.00 10.00 O ATOM 0 H GLU A 29 -16.089 32.664 1.266 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.134 35.056 2.899 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.280 34.495 -0.043 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.542 36.094 0.625 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.311 35.884 1.837 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.048 34.367 1.001 1.00 10.00 H new ATOM 430 N ALA A 30 -18.952 33.733 1.900 1.00 10.00 N ATOM 431 CA ALA A 30 -20.364 33.723 2.274 1.00 10.00 C ATOM 432 C ALA A 30 -20.490 33.587 3.799 1.00 10.00 C ATOM 433 O ALA A 30 -21.296 34.248 4.451 1.00 10.00 O ATOM 434 CB ALA A 30 -21.063 32.558 1.582 1.00 10.00 C ATOM 0 H ALA A 30 -18.665 32.928 1.344 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.834 34.656 1.962 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.117 32.549 1.860 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -20.974 32.670 0.501 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.599 31.621 1.889 1.00 10.00 H new ATOM 440 N LEU A 31 -19.620 32.763 4.375 1.00 10.00 N ATOM 441 CA LEU A 31 -19.405 32.626 5.795 1.00 10.00 C ATOM 442 C LEU A 31 -18.759 33.864 6.432 1.00 10.00 C ATOM 443 O LEU A 31 -19.050 34.152 7.576 1.00 10.00 O ATOM 444 CB LEU A 31 -18.523 31.406 6.013 1.00 10.00 C ATOM 445 CG LEU A 31 -18.385 31.030 7.483 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.588 30.213 7.931 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.077 30.275 7.620 1.00 10.00 C ATOM 0 H LEU A 31 -19.020 32.145 3.828 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.375 32.513 6.280 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.938 30.561 5.464 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.534 31.600 5.598 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.364 31.908 8.129 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.478 29.950 8.983 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.497 30.800 7.797 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.652 29.303 7.335 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.933 29.983 8.660 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.104 29.384 6.993 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.253 30.915 7.305 1.00 10.00 H new ATOM 459 N ASP A 32 -17.933 34.643 5.740 1.00 10.00 N ATOM 460 CA ASP A 32 -17.430 35.927 6.226 1.00 10.00 C ATOM 461 C ASP A 32 -18.618 36.856 6.522 1.00 10.00 C ATOM 462 O ASP A 32 -18.595 37.622 7.488 1.00 10.00 O ATOM 463 CB ASP A 32 -16.411 36.517 5.231 1.00 10.00 C ATOM 464 CG ASP A 32 -16.023 37.964 5.571 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.226 38.174 6.516 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.496 38.891 4.869 1.00 10.00 O ATOM 0 H ASP A 32 -17.588 34.398 4.812 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.887 35.797 7.162 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.515 35.897 5.224 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.830 36.484 4.225 1.00 10.00 H new ATOM 471 N LYS A 33 -19.712 36.692 5.761 1.00 10.00 N ATOM 472 CA LYS A 33 -20.995 37.308 6.018 1.00 10.00 C ATOM 473 C LYS A 33 -21.734 36.609 7.162 1.00 10.00 C ATOM 474 O LYS A 33 -22.315 37.264 8.018 1.00 10.00 O ATOM 475 CB LYS A 33 -21.862 37.392 4.763 1.00 10.00 C ATOM 476 CG LYS A 33 -21.236 37.547 3.372 1.00 10.00 C ATOM 477 CD LYS A 33 -20.015 38.464 3.274 1.00 10.00 C ATOM 478 CE LYS A 33 -19.630 38.674 1.812 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.413 39.520 1.701 1.00 10.00 N ATOM 0 H LYS A 33 -19.713 36.106 4.926 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.793 38.333 6.330 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.473 36.490 4.738 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.541 38.233 4.902 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.950 36.558 3.014 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.001 37.923 2.693 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.234 39.424 3.742 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.178 38.027 3.819 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.452 37.710 1.336 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.455 39.145 1.278 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.170 39.649 0.698 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.594 40.447 2.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.622 39.056 2.192 1.00 10.00 H new ATOM 493 N LEU A 34 -21.750 35.275 7.190 1.00 10.00 N ATOM 494 CA LEU A 34 -22.514 34.495 8.174 1.00 10.00 C ATOM 495 C LEU A 34 -21.866 34.545 9.568 1.00 10.00 C ATOM 496 O LEU A 34 -22.497 34.323 10.588 1.00 10.00 O ATOM 497 CB LEU A 34 -22.713 33.070 7.650 1.00 10.00 C ATOM 498 CG LEU A 34 -24.139 32.512 7.819 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.284 31.323 6.923 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.616 31.952 9.142 1.00 10.00 C ATOM 0 H LEU A 34 -21.231 34.699 6.528 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.500 34.942 8.302 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.452 33.047 6.592 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.016 32.408 8.164 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.718 33.417 7.633 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.288 30.910 7.026 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.120 31.625 5.889 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.550 30.566 7.201 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.647 31.614 9.043 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -23.984 31.112 9.430 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.560 32.727 9.906 1.00 10.00 H new ATOM 512 N ALA A 35 -20.588 34.876 9.630 1.00 10.00 N ATOM 513 CA ALA A 35 -19.856 35.189 10.836 1.00 10.00 C ATOM 514 C ALA A 35 -20.143 36.663 11.269 1.00 10.00 C ATOM 515 O ALA A 35 -20.019 36.996 12.450 1.00 10.00 O ATOM 516 CB ALA A 35 -18.382 34.852 10.546 1.00 10.00 C ATOM 0 H ALA A 35 -20.006 34.936 8.794 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.166 34.601 11.700 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.779 35.070 11.427 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.293 33.794 10.298 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -18.030 35.453 9.708 1.00 10.00 H new ATOM 522 N ALA A 36 -20.555 37.538 10.327 1.00 10.00 N ATOM 523 CA ALA A 36 -20.980 38.937 10.524 1.00 10.00 C ATOM 524 C ALA A 36 -22.438 39.142 11.010 1.00 10.00 C ATOM 525 O ALA A 36 -22.659 39.760 12.055 1.00 10.00 O ATOM 526 CB ALA A 36 -20.705 39.732 9.229 1.00 10.00 C ATOM 0 H ALA A 36 -20.602 37.266 9.345 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.383 39.316 11.353 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -21.016 40.768 9.365 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.639 39.700 9.002 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.265 39.290 8.405 1.00 10.00 H new ATOM 532 N LYS A 37 -23.429 38.619 10.273 1.00 10.00 N ATOM 533 CA LYS A 37 -24.883 38.675 10.569 1.00 10.00 C ATOM 534 C LYS A 37 -25.511 37.296 10.308 1.00 10.00 C ATOM 535 O LYS A 37 -26.312 37.103 9.400 1.00 10.00 O ATOM 536 CB LYS A 37 -25.560 39.712 9.689 1.00 10.00 C ATOM 537 CG LYS A 37 -26.911 40.204 10.216 1.00 10.00 C ATOM 538 CD LYS A 37 -27.830 39.235 10.968 1.00 10.00 C ATOM 539 CE LYS A 37 -29.101 40.034 11.211 1.00 10.00 C ATOM 540 NZ LYS A 37 -30.094 39.297 12.035 1.00 10.00 N ATOM 0 H LYS A 37 -23.236 38.117 9.406 1.00 10.00 H new ATOM 0 HA LYS A 37 -25.021 38.953 11.614 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.894 40.567 9.578 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.704 39.289 8.695 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -26.715 41.047 10.878 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -27.472 40.591 9.365 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -28.030 38.339 10.380 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.381 38.907 11.906 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -28.847 40.971 11.707 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -29.551 40.293 10.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -30.940 39.887 12.170 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -30.360 38.415 11.552 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.678 39.072 12.961 1.00 10.00 H new ATOM 554 N PRO A 38 -25.186 36.312 11.126 1.00 10.00 N ATOM 555 CA PRO A 38 -25.475 34.928 10.836 1.00 10.00 C ATOM 556 C PRO A 38 -26.745 34.493 10.120 1.00 10.00 C ATOM 557 O PRO A 38 -26.694 34.210 8.927 1.00 10.00 O ATOM 558 CB PRO A 38 -25.101 34.136 12.082 1.00 10.00 C ATOM 559 CG PRO A 38 -24.490 35.167 13.046 1.00 10.00 C ATOM 560 CD PRO A 38 -24.306 36.443 12.253 1.00 10.00 C ATOM 0 HA PRO A 38 -24.860 34.686 9.969 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.976 33.656 12.521 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.388 33.346 11.847 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -25.145 35.333 13.902 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.536 34.813 13.438 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.558 37.319 12.851 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.271 36.563 11.933 1.00 10.00 H new ATOM 568 N SER A 39 -27.885 34.421 10.786 1.00 10.00 N ATOM 569 CA SER A 39 -29.068 33.828 10.187 1.00 10.00 C ATOM 570 C SER A 39 -29.836 34.790 9.273 1.00 10.00 C ATOM 571 O SER A 39 -30.969 34.484 8.900 1.00 10.00 O ATOM 572 CB SER A 39 -29.898 33.096 11.229 1.00 10.00 C ATOM 573 OG SER A 39 -30.410 33.984 12.213 1.00 10.00 O ATOM 0 H SER A 39 -28.016 34.764 11.738 1.00 10.00 H new ATOM 0 HA SER A 39 -28.744 33.056 9.488 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.724 32.580 10.739 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.287 32.333 11.711 1.00 10.00 H new ATOM 0 HG SER A 39 -30.940 33.479 12.865 1.00 10.00 H new ATOM 579 N ASP A 40 -29.242 35.947 8.918 1.00 10.00 N ATOM 580 CA ASP A 40 -29.733 36.831 7.850 1.00 10.00 C ATOM 581 C ASP A 40 -29.884 35.941 6.614 1.00 10.00 C ATOM 582 O ASP A 40 -28.885 35.495 6.057 1.00 10.00 O ATOM 583 CB ASP A 40 -28.806 38.016 7.565 1.00 10.00 C ATOM 584 CG ASP A 40 -29.243 38.762 6.294 1.00 10.00 C ATOM 585 OD1 ASP A 40 -30.190 39.578 6.381 1.00 10.00 O ATOM 586 OD2 ASP A 40 -28.672 38.511 5.207 1.00 10.00 O ATOM 0 H ASP A 40 -28.398 36.295 9.372 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.675 37.289 8.150 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.813 38.700 8.413 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.782 37.662 7.449 1.00 10.00 H new ATOM 591 N PRO A 41 -31.102 35.621 6.171 1.00 10.00 N ATOM 592 CA PRO A 41 -31.260 34.578 5.175 1.00 10.00 C ATOM 593 C PRO A 41 -30.717 34.936 3.800 1.00 10.00 C ATOM 594 O PRO A 41 -30.369 34.039 3.043 1.00 10.00 O ATOM 595 CB PRO A 41 -32.757 34.316 5.135 1.00 10.00 C ATOM 596 CG PRO A 41 -33.375 35.650 5.564 1.00 10.00 C ATOM 597 CD PRO A 41 -32.375 36.186 6.577 1.00 10.00 C ATOM 0 HA PRO A 41 -30.677 33.699 5.449 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.085 34.026 4.137 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.040 33.509 5.811 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.495 36.328 4.719 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.362 35.513 6.006 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.346 37.276 6.567 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.637 35.884 7.591 1.00 10.00 H new ATOM 605 N ALA A 42 -30.601 36.217 3.463 1.00 10.00 N ATOM 606 CA ALA A 42 -30.018 36.635 2.207 1.00 10.00 C ATOM 607 C ALA A 42 -28.519 36.262 2.109 1.00 10.00 C ATOM 608 O ALA A 42 -28.092 35.732 1.080 1.00 10.00 O ATOM 609 CB ALA A 42 -30.327 38.121 2.053 1.00 10.00 C ATOM 0 H ALA A 42 -30.910 36.987 4.056 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.454 36.102 1.362 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.906 38.485 1.116 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.407 38.269 2.047 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.889 38.672 2.886 1.00 10.00 H new ATOM 615 N LEU A 43 -27.732 36.445 3.182 1.00 10.00 N ATOM 616 CA LEU A 43 -26.353 35.955 3.275 1.00 10.00 C ATOM 617 C LEU A 43 -26.236 34.459 3.643 1.00 10.00 C ATOM 618 O LEU A 43 -25.439 33.748 3.033 1.00 10.00 O ATOM 619 CB LEU A 43 -25.547 36.897 4.190 1.00 10.00 C ATOM 620 CG LEU A 43 -25.758 36.745 5.698 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.884 35.665 6.275 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.270 37.944 6.502 1.00 10.00 C ATOM 0 H LEU A 43 -28.042 36.943 4.017 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.910 35.984 2.279 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.488 36.750 3.979 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.787 37.924 3.916 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.831 36.571 5.775 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.062 35.587 7.348 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.119 34.713 5.798 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.837 35.911 6.098 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.451 37.769 7.563 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.202 38.084 6.334 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.808 38.838 6.185 1.00 10.00 H new ATOM 634 N LEU A 44 -27.008 33.951 4.615 1.00 10.00 N ATOM 635 CA LEU A 44 -26.962 32.542 5.046 1.00 10.00 C ATOM 636 C LEU A 44 -27.422 31.637 3.910 1.00 10.00 C ATOM 637 O LEU A 44 -26.868 30.554 3.744 1.00 10.00 O ATOM 638 CB LEU A 44 -27.720 32.361 6.387 1.00 10.00 C ATOM 639 CG LEU A 44 -28.625 31.150 6.684 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.693 30.777 5.652 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.816 29.892 6.905 1.00 10.00 C ATOM 0 H LEU A 44 -27.688 34.510 5.130 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.938 32.237 5.262 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.966 32.384 7.174 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.340 33.249 6.514 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.148 31.507 7.571 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.248 29.906 6.001 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.378 31.614 5.518 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.214 30.544 4.701 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.488 29.059 7.112 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.232 29.674 6.011 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.144 30.035 7.752 1.00 10.00 H new ATOM 653 N ALA A 45 -28.378 32.055 3.076 1.00 10.00 N ATOM 654 CA ALA A 45 -28.777 31.203 1.977 1.00 10.00 C ATOM 655 C ALA A 45 -27.760 31.243 0.830 1.00 10.00 C ATOM 656 O ALA A 45 -27.603 30.251 0.121 1.00 10.00 O ATOM 657 CB ALA A 45 -30.207 31.482 1.508 1.00 10.00 C ATOM 0 H ALA A 45 -28.869 32.947 3.143 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.783 30.181 2.355 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.456 30.816 0.682 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.900 31.312 2.332 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.285 32.517 1.175 1.00 10.00 H new ATOM 663 N ALA A 46 -27.016 32.342 0.665 1.00 10.00 N ATOM 664 CA ALA A 46 -25.877 32.388 -0.237 1.00 10.00 C ATOM 665 C ALA A 46 -24.734 31.490 0.267 1.00 10.00 C ATOM 666 O ALA A 46 -24.095 30.797 -0.518 1.00 10.00 O ATOM 667 CB ALA A 46 -25.401 33.827 -0.407 1.00 10.00 C ATOM 0 H ALA A 46 -27.192 33.219 1.155 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.192 32.007 -1.208 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.547 33.850 -1.085 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.209 34.431 -0.820 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.106 34.230 0.562 1.00 10.00 H new ATOM 673 N TYR A 47 -24.521 31.420 1.584 1.00 10.00 N ATOM 674 CA TYR A 47 -23.609 30.472 2.207 1.00 10.00 C ATOM 675 C TYR A 47 -24.013 29.053 1.930 1.00 10.00 C ATOM 676 O TYR A 47 -23.218 28.287 1.399 1.00 10.00 O ATOM 677 CB TYR A 47 -23.587 30.676 3.710 1.00 10.00 C ATOM 678 CG TYR A 47 -22.745 29.647 4.458 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.359 29.553 4.245 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.385 28.683 5.266 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.615 28.507 4.822 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.641 27.658 5.879 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.253 27.558 5.650 1.00 10.00 C ATOM 684 OH TYR A 47 -20.546 26.543 6.217 1.00 10.00 O ATOM 0 H TYR A 47 -24.987 32.033 2.253 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.621 30.651 1.783 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.203 31.673 3.927 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.609 30.639 4.087 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.860 30.290 3.633 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.454 28.732 5.415 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.555 28.430 4.631 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.134 26.947 6.526 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.147 25.987 6.756 1.00 10.00 H new ATOM 694 N GLN A 48 -25.258 28.723 2.261 1.00 10.00 N ATOM 695 CA GLN A 48 -25.737 27.365 2.117 1.00 10.00 C ATOM 696 C GLN A 48 -25.790 26.957 0.629 1.00 10.00 C ATOM 697 O GLN A 48 -25.622 25.794 0.282 1.00 10.00 O ATOM 698 CB GLN A 48 -26.995 27.137 2.952 1.00 10.00 C ATOM 699 CG GLN A 48 -28.274 27.637 2.319 1.00 10.00 C ATOM 700 CD GLN A 48 -29.009 26.617 1.449 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.345 25.516 1.867 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.300 26.944 0.206 1.00 10.00 N ATOM 0 H GLN A 48 -25.946 29.380 2.629 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.027 26.658 2.545 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.096 26.069 3.148 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.868 27.627 3.917 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -28.947 27.969 3.110 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.042 28.511 1.710 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -29.028 27.857 -0.158 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -29.798 26.284 -0.392 1.00 10.00 H new ATOM 711 N SER A 49 -25.924 27.945 -0.262 1.00 10.00 N ATOM 712 CA SER A 49 -25.768 27.790 -1.710 1.00 10.00 C ATOM 713 C SER A 49 -24.333 27.442 -2.086 1.00 10.00 C ATOM 714 O SER A 49 -24.096 26.501 -2.836 1.00 10.00 O ATOM 715 CB SER A 49 -26.141 29.071 -2.488 1.00 10.00 C ATOM 716 OG SER A 49 -27.533 29.313 -2.413 1.00 10.00 O ATOM 0 H SER A 49 -26.150 28.901 0.013 1.00 10.00 H new ATOM 0 HA SER A 49 -26.447 26.982 -1.982 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.596 29.922 -2.080 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.840 28.970 -3.531 1.00 10.00 H new ATOM 0 HG SER A 49 -27.747 29.729 -1.552 1.00 10.00 H new ATOM 722 N LYS A 50 -23.356 28.182 -1.558 1.00 10.00 N ATOM 723 CA LYS A 50 -21.930 28.000 -1.834 1.00 10.00 C ATOM 724 C LYS A 50 -21.382 26.698 -1.254 1.00 10.00 C ATOM 725 O LYS A 50 -20.599 26.025 -1.905 1.00 10.00 O ATOM 726 CB LYS A 50 -21.176 29.253 -1.361 1.00 10.00 C ATOM 727 CG LYS A 50 -21.572 30.465 -2.222 1.00 10.00 C ATOM 728 CD LYS A 50 -20.450 30.917 -3.141 1.00 10.00 C ATOM 729 CE LYS A 50 -20.084 29.881 -4.208 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.509 30.319 -5.568 1.00 10.00 N ATOM 0 H LYS A 50 -23.541 28.946 -0.908 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.777 27.893 -2.908 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.405 29.451 -0.314 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.101 29.086 -1.427 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.447 30.211 -2.820 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.859 31.291 -1.571 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.744 31.845 -3.632 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.567 31.139 -2.542 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.007 29.714 -4.199 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.556 28.928 -3.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.200 29.617 -6.271 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.545 30.405 -5.597 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -20.079 31.240 -5.786 1.00 10.00 H new ATOM 744 N LEU A 51 -21.864 26.305 -0.084 1.00 10.00 N ATOM 745 CA LEU A 51 -21.701 25.021 0.599 1.00 10.00 C ATOM 746 C LEU A 51 -22.143 23.875 -0.321 1.00 10.00 C ATOM 747 O LEU A 51 -21.460 22.851 -0.409 1.00 10.00 O ATOM 748 CB LEU A 51 -22.521 25.218 1.899 1.00 10.00 C ATOM 749 CG LEU A 51 -23.148 24.084 2.733 1.00 10.00 C ATOM 750 CD1 LEU A 51 -23.966 24.755 3.853 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.135 23.185 1.981 1.00 10.00 C ATOM 0 H LEU A 51 -22.438 26.940 0.471 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.679 24.737 0.849 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -21.872 25.767 2.581 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.342 25.884 1.636 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.321 23.455 3.061 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.431 23.989 4.473 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.307 25.368 4.468 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.739 25.384 3.412 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.518 22.420 2.657 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -24.963 23.787 1.607 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.627 22.707 1.144 1.00 10.00 H new ATOM 763 N SER A 52 -23.221 24.073 -1.081 1.00 10.00 N ATOM 764 CA SER A 52 -23.621 23.165 -2.144 1.00 10.00 C ATOM 765 C SER A 52 -22.775 23.297 -3.403 1.00 10.00 C ATOM 766 O SER A 52 -22.429 22.280 -3.988 1.00 10.00 O ATOM 767 CB SER A 52 -25.076 23.328 -2.551 1.00 10.00 C ATOM 768 OG SER A 52 -25.950 23.110 -1.456 1.00 10.00 O ATOM 0 H SER A 52 -23.842 24.875 -0.971 1.00 10.00 H new ATOM 0 HA SER A 52 -23.468 22.179 -1.706 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.233 24.330 -2.949 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.312 22.626 -3.351 1.00 10.00 H new ATOM 0 HG SER A 52 -25.933 23.891 -0.864 1.00 10.00 H new ATOM 774 N GLU A 53 -22.381 24.499 -3.825 1.00 10.00 N ATOM 775 CA GLU A 53 -21.507 24.681 -4.978 1.00 10.00 C ATOM 776 C GLU A 53 -20.139 24.012 -4.782 1.00 10.00 C ATOM 777 O GLU A 53 -19.530 23.527 -5.728 1.00 10.00 O ATOM 778 CB GLU A 53 -21.191 26.129 -5.291 1.00 10.00 C ATOM 779 CG GLU A 53 -22.190 27.117 -5.852 1.00 10.00 C ATOM 780 CD GLU A 53 -22.940 26.602 -7.097 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.302 26.440 -8.165 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.172 26.390 -7.021 1.00 10.00 O ATOM 0 H GLU A 53 -22.660 25.371 -3.376 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.078 24.230 -5.790 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -20.821 26.566 -4.363 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.356 26.112 -5.991 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -22.916 27.365 -5.078 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.670 28.040 -6.108 1.00 10.00 H new ATOM 789 N TYR A 54 -19.627 24.014 -3.555 1.00 10.00 N ATOM 790 CA TYR A 54 -18.387 23.355 -3.187 1.00 10.00 C ATOM 791 C TYR A 54 -18.574 21.837 -3.222 1.00 10.00 C ATOM 792 O TYR A 54 -17.716 21.124 -3.736 1.00 10.00 O ATOM 793 CB TYR A 54 -17.875 23.917 -1.857 1.00 10.00 C ATOM 794 CG TYR A 54 -17.260 22.918 -0.931 1.00 10.00 C ATOM 795 CD1 TYR A 54 -15.915 22.561 -1.107 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.031 22.356 0.095 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.327 21.637 -0.235 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.453 21.418 0.959 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.091 21.058 0.808 1.00 10.00 C ATOM 800 OH TYR A 54 -15.525 20.167 1.667 1.00 10.00 O ATOM 0 H TYR A 54 -20.078 24.487 -2.772 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.600 23.565 -3.912 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.138 24.691 -2.069 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.706 24.400 -1.343 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.337 22.996 -1.909 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -19.064 22.644 0.219 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.289 21.365 -0.358 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -18.046 20.968 1.742 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.194 19.872 2.320 1.00 10.00 H new ATOM 843 N TYR A 57 -18.484 21.257 -6.896 1.00 10.00 N ATOM 844 CA TYR A 57 -17.072 21.183 -7.238 1.00 10.00 C ATOM 845 C TYR A 57 -16.577 19.741 -6.954 1.00 10.00 C ATOM 846 O TYR A 57 -15.961 19.088 -7.795 1.00 10.00 O ATOM 847 CB TYR A 57 -16.264 22.311 -6.563 1.00 10.00 C ATOM 848 CG TYR A 57 -14.805 21.938 -6.576 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.367 21.026 -5.604 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.028 22.195 -7.719 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.243 20.229 -5.853 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.852 21.456 -7.937 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.491 20.433 -7.032 1.00 10.00 C ATOM 854 OH TYR A 57 -11.460 19.607 -7.338 1.00 10.00 O ATOM 0 HA TYR A 57 -16.913 21.367 -8.301 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.417 23.253 -7.090 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.606 22.460 -5.539 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.895 20.939 -4.666 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.332 22.954 -8.424 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.953 19.463 -5.149 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.228 21.669 -8.792 1.00 10.00 H new ATOM 0 HH TYR A 57 -11.053 19.891 -8.183 1.00 10.00 H new ATOM 864 N ARG A 58 -16.961 19.206 -5.787 1.00 10.00 N ATOM 865 CA ARG A 58 -16.762 17.830 -5.313 1.00 10.00 C ATOM 866 C ARG A 58 -17.484 16.791 -6.182 1.00 10.00 C ATOM 867 O ARG A 58 -16.949 15.713 -6.408 1.00 10.00 O ATOM 868 CB ARG A 58 -17.303 17.758 -3.867 1.00 10.00 C ATOM 869 CG ARG A 58 -16.385 17.420 -2.696 1.00 10.00 C ATOM 870 CD ARG A 58 -15.321 18.489 -2.418 1.00 10.00 C ATOM 871 NE ARG A 58 -13.960 18.063 -2.802 1.00 10.00 N ATOM 872 CZ ARG A 58 -12.893 18.037 -2.025 1.00 10.00 C ATOM 873 NH1 ARG A 58 -12.928 18.164 -0.732 1.00 10.00 N ATOM 874 NH2 ARG A 58 -11.719 17.897 -2.549 1.00 10.00 N ATOM 0 H ARG A 58 -17.458 19.768 -5.096 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.699 17.593 -5.365 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.756 18.725 -3.648 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.107 17.022 -3.864 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.990 17.281 -1.800 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.889 16.470 -2.897 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -15.578 19.399 -2.961 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.332 18.737 -1.357 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.831 17.757 -3.767 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -13.821 18.293 -0.256 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -12.063 18.134 -0.193 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -11.619 17.807 -3.560 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -10.893 17.877 -1.951 1.00 10.00 H new ATOM 888 N ASN A 59 -18.683 17.111 -6.673 1.00 10.00 N ATOM 889 CA ASN A 59 -19.509 16.260 -7.531 1.00 10.00 C ATOM 890 C ASN A 59 -18.866 16.085 -8.913 1.00 10.00 C ATOM 891 O ASN A 59 -18.761 14.977 -9.431 1.00 10.00 O ATOM 892 CB ASN A 59 -20.932 16.840 -7.667 1.00 10.00 C ATOM 893 CG ASN A 59 -21.884 15.833 -8.289 1.00 10.00 C ATOM 894 OD1 ASN A 59 -22.121 15.824 -9.489 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.449 14.947 -7.500 1.00 10.00 N ATOM 0 H ASN A 59 -19.124 18.009 -6.475 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.580 15.279 -7.062 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.302 17.134 -6.685 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.902 17.741 -8.279 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.086 14.251 -7.888 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.251 14.955 -6.499 1.00 10.00 H new ATOM 902 N ALA A 60 -18.366 17.185 -9.470 1.00 10.00 N ATOM 903 CA ALA A 60 -17.535 17.242 -10.659 1.00 10.00 C ATOM 904 C ALA A 60 -16.231 16.462 -10.447 1.00 10.00 C ATOM 905 O ALA A 60 -15.865 15.625 -11.271 1.00 10.00 O ATOM 906 CB ALA A 60 -17.328 18.727 -10.981 1.00 10.00 C ATOM 0 H ALA A 60 -18.543 18.110 -9.078 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.008 16.760 -11.515 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.706 18.823 -11.871 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.294 19.199 -11.160 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.836 19.216 -10.140 1.00 10.00 H new ATOM 912 N GLN A 61 -15.624 16.613 -9.269 1.00 10.00 N ATOM 913 CA GLN A 61 -14.512 15.820 -8.744 1.00 10.00 C ATOM 914 C GLN A 61 -14.951 14.448 -8.181 1.00 10.00 C ATOM 915 O GLN A 61 -14.332 13.834 -7.312 1.00 10.00 O ATOM 916 CB GLN A 61 -13.750 16.685 -7.765 1.00 10.00 C ATOM 917 CG GLN A 61 -12.430 16.061 -7.288 1.00 10.00 C ATOM 918 CD GLN A 61 -12.410 15.974 -5.767 1.00 10.00 C ATOM 919 OE1 GLN A 61 -12.128 16.933 -5.063 1.00 10.00 O ATOM 920 NE2 GLN A 61 -12.775 14.851 -5.191 1.00 10.00 N ATOM 0 H GLN A 61 -15.915 17.339 -8.614 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.841 15.538 -9.555 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.539 17.647 -8.232 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -14.382 16.882 -6.899 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -12.313 15.066 -7.718 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.589 16.660 -7.637 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -13.014 14.040 -5.761 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -12.819 14.790 -4.174 1.00 10.00 H new ATOM 929 N SER A 62 -16.069 13.975 -8.702 1.00 10.00 N ATOM 930 CA SER A 62 -16.645 12.646 -8.578 1.00 10.00 C ATOM 931 C SER A 62 -17.371 12.289 -9.895 1.00 10.00 C ATOM 932 O SER A 62 -18.279 11.460 -9.937 1.00 10.00 O ATOM 933 CB SER A 62 -17.522 12.572 -7.331 1.00 10.00 C ATOM 934 OG SER A 62 -17.839 11.226 -7.002 1.00 10.00 O ATOM 0 H SER A 62 -16.657 14.573 -9.282 1.00 10.00 H new ATOM 0 HA SER A 62 -15.873 11.890 -8.435 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.007 13.042 -6.493 1.00 10.00 H new ATOM 0 HB3 SER A 62 -18.441 13.134 -7.496 1.00 10.00 H new ATOM 0 HG SER A 62 -18.802 11.080 -7.112 1.00 10.00 H new ATOM 940 N ASN A 63 -16.940 12.932 -10.993 1.00 10.00 N ATOM 941 CA ASN A 63 -17.344 12.716 -12.372 1.00 10.00 C ATOM 942 C ASN A 63 -16.114 12.467 -13.248 1.00 10.00 C ATOM 943 O ASN A 63 -15.981 11.422 -13.867 1.00 10.00 O ATOM 944 CB ASN A 63 -18.169 13.929 -12.840 1.00 10.00 C ATOM 945 CG ASN A 63 -19.143 13.610 -13.966 1.00 10.00 C ATOM 946 OD1 ASN A 63 -19.016 12.633 -14.690 1.00 10.00 O ATOM 947 ND2 ASN A 63 -20.152 14.429 -14.152 1.00 10.00 N ATOM 0 H ASN A 63 -16.244 13.674 -10.921 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.971 11.828 -12.455 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.726 14.327 -11.992 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.489 14.714 -13.171 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.825 14.249 -14.897 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.263 15.246 -13.551 1.00 10.00 H new ATOM 954 N THR A 64 -15.137 13.367 -13.170 1.00 10.00 N ATOM 955 CA THR A 64 -13.778 13.246 -13.735 1.00 10.00 C ATOM 956 C THR A 64 -13.065 11.937 -13.390 1.00 10.00 C ATOM 957 O THR A 64 -12.530 11.209 -14.222 1.00 10.00 O ATOM 958 CB THR A 64 -12.979 14.458 -13.256 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.685 14.480 -13.800 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.897 14.577 -11.731 1.00 10.00 C ATOM 0 H THR A 64 -15.271 14.254 -12.685 1.00 10.00 H new ATOM 0 HA THR A 64 -13.859 13.223 -14.822 1.00 10.00 H new ATOM 0 HB THR A 64 -13.537 15.321 -13.619 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.206 15.269 -13.472 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.315 15.460 -11.466 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.902 14.667 -11.319 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.415 13.689 -11.322 1.00 10.00 H new ATOM 968 N VAL A 65 -13.211 11.571 -12.132 1.00 10.00 N ATOM 969 CA VAL A 65 -12.822 10.331 -11.462 1.00 10.00 C ATOM 970 C VAL A 65 -13.390 9.072 -12.143 1.00 10.00 C ATOM 971 O VAL A 65 -12.767 8.012 -12.161 1.00 10.00 O ATOM 972 CB VAL A 65 -13.371 10.429 -10.027 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.586 9.550 -9.060 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.353 11.847 -9.446 1.00 10.00 C ATOM 0 H VAL A 65 -13.658 12.207 -11.471 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.737 10.228 -11.497 1.00 10.00 H new ATOM 0 HB VAL A 65 -14.404 10.096 -10.122 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -13.004 9.647 -8.058 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.649 8.510 -9.380 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.542 9.863 -9.049 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.755 11.830 -8.433 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.328 12.218 -9.423 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.962 12.503 -10.068 1.00 10.00 H new ATOM 984 N LYS A 66 -14.570 9.231 -12.754 1.00 10.00 N ATOM 985 CA LYS A 66 -15.377 8.274 -13.504 1.00 10.00 C ATOM 986 C LYS A 66 -15.342 8.538 -15.026 1.00 10.00 C ATOM 987 O LYS A 66 -16.108 7.953 -15.789 1.00 10.00 O ATOM 988 CB LYS A 66 -16.798 8.330 -12.924 1.00 10.00 C ATOM 989 CG LYS A 66 -16.911 7.614 -11.560 1.00 10.00 C ATOM 990 CD LYS A 66 -17.594 8.533 -10.543 1.00 10.00 C ATOM 991 CE LYS A 66 -17.869 7.845 -9.204 1.00 10.00 C ATOM 992 NZ LYS A 66 -18.629 8.747 -8.300 1.00 10.00 N ATOM 0 H LYS A 66 -15.031 10.141 -12.729 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.970 7.269 -13.395 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -17.099 9.371 -12.810 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -17.493 7.873 -13.629 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -17.481 6.692 -11.670 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.920 7.335 -11.203 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -16.966 9.408 -10.373 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -18.535 8.892 -10.961 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -18.433 6.927 -9.369 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -16.927 7.560 -8.735 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -18.924 8.221 -7.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -18.025 9.546 -8.019 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -19.470 9.106 -8.795 1.00 10.00 H new ATOM 1006 N VAL A 67 -14.389 9.361 -15.470 1.00 10.00 N ATOM 1007 CA VAL A 67 -14.078 9.742 -16.847 1.00 10.00 C ATOM 1008 C VAL A 67 -12.686 9.281 -17.235 1.00 10.00 C ATOM 1009 O VAL A 67 -12.485 8.814 -18.348 1.00 10.00 O ATOM 1010 CB VAL A 67 -14.284 11.246 -16.988 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -13.569 11.881 -18.161 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -15.781 11.484 -17.047 1.00 10.00 C ATOM 0 H VAL A 67 -13.758 9.819 -14.812 1.00 10.00 H new ATOM 0 HA VAL A 67 -14.750 9.245 -17.547 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.831 11.736 -16.126 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -13.776 12.951 -18.177 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -12.495 11.721 -18.063 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -13.920 11.429 -19.089 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -15.976 12.552 -17.148 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -16.200 10.956 -17.903 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -16.244 11.116 -16.132 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.730 9.316 -16.312 1.00 10.00 N ATOM 1023 CA PHE A 68 -10.449 8.636 -16.487 1.00 10.00 C ATOM 1024 C PHE A 68 -10.742 7.120 -16.620 1.00 10.00 C ATOM 1025 O PHE A 68 -10.105 6.395 -17.382 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.568 8.989 -15.285 1.00 10.00 C ATOM 1027 CG PHE A 68 -9.038 10.413 -15.305 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -8.162 10.830 -16.327 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.435 11.333 -14.315 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.707 12.162 -16.370 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -8.998 12.668 -14.369 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.132 13.084 -15.396 1.00 10.00 C ATOM 0 H PHE A 68 -11.819 9.813 -15.426 1.00 10.00 H new ATOM 0 HA PHE A 68 -9.912 8.945 -17.384 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -10.141 8.838 -14.370 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.725 8.299 -15.250 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -7.839 10.126 -17.079 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -10.079 11.011 -13.510 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -7.031 12.476 -17.152 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.327 13.374 -13.621 1.00 10.00 H new ATOM 0 HZ PHE A 68 -7.794 14.109 -15.437 1.00 10.00 H new