USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 459 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -166:sc= 0.874 (180deg=0.748) USER MOD Set 2.1: A 57 TYR OH : rot -175:sc= 0.43 USER MOD Set 2.2: A 61 GLN : amide:sc= 0.429 K(o=0.86,f=-0.01) USER MOD Set 3.1: A 26 GLN : amide:sc= 1.07 K(o=2.3,f=-6.8!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 165:sc= 1.24 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 24 GLN : amide:sc=-0.00291 X(o=-0.0029,f=-0.0029) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.2) 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=-0.00636 X(o=-0.0064,f=-0.0064) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 81:sc=0.000863 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 THR OG1 : rot -68:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 2.022 6.303 -7.197 1.00 10.00 N ATOM 59 CA TRP A 5 1.548 7.629 -6.766 1.00 10.00 C ATOM 60 C TRP A 5 2.322 8.296 -5.625 1.00 10.00 C ATOM 61 O TRP A 5 2.365 9.524 -5.587 1.00 10.00 O ATOM 62 CB TRP A 5 0.055 7.543 -6.409 1.00 10.00 C ATOM 63 CG TRP A 5 -0.849 7.017 -7.487 1.00 10.00 C ATOM 64 CD1 TRP A 5 -1.536 5.853 -7.439 1.00 10.00 C ATOM 65 CD2 TRP A 5 -1.164 7.611 -8.786 1.00 10.00 C ATOM 66 NE1 TRP A 5 -2.250 5.685 -8.611 1.00 10.00 N ATOM 67 CE2 TRP A 5 -2.056 6.738 -9.479 1.00 10.00 C ATOM 68 CE3 TRP A 5 -0.780 8.796 -9.455 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -2.546 7.025 -10.763 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -1.265 9.094 -10.744 1.00 10.00 C ATOM 71 CH2 TRP A 5 -2.147 8.213 -11.397 1.00 10.00 C ATOM 0 HA TRP A 5 1.728 8.280 -7.622 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -0.052 6.908 -5.530 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -0.289 8.538 -6.127 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -1.528 5.160 -6.611 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -2.846 4.881 -8.809 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -0.104 9.484 -8.970 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -3.221 6.341 -11.257 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -0.957 10.006 -11.235 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -2.516 8.450 -12.384 1.00 10.00 H new ATOM 82 N SER A 6 2.973 7.559 -4.720 1.00 10.00 N ATOM 83 CA SER A 6 3.621 8.153 -3.531 1.00 10.00 C ATOM 84 C SER A 6 4.758 9.140 -3.855 1.00 10.00 C ATOM 85 O SER A 6 5.064 10.014 -3.042 1.00 10.00 O ATOM 86 CB SER A 6 4.159 7.070 -2.591 1.00 10.00 C ATOM 87 OG SER A 6 3.170 6.082 -2.330 1.00 10.00 O ATOM 0 H SER A 6 3.069 6.545 -4.783 1.00 10.00 H new ATOM 0 HA SER A 6 2.829 8.722 -3.044 1.00 10.00 H new ATOM 0 HB2 SER A 6 5.037 6.602 -3.036 1.00 10.00 H new ATOM 0 HB3 SER A 6 4.480 7.524 -1.654 1.00 10.00 H new ATOM 0 HG SER A 6 3.538 5.401 -1.729 1.00 10.00 H new ATOM 93 N GLY A 7 5.351 9.047 -5.053 1.00 10.00 N ATOM 94 CA GLY A 7 6.388 9.963 -5.553 1.00 10.00 C ATOM 95 C GLY A 7 5.864 11.217 -6.275 1.00 10.00 C ATOM 96 O GLY A 7 6.669 12.052 -6.692 1.00 10.00 O ATOM 0 H GLY A 7 5.117 8.312 -5.721 1.00 10.00 H new ATOM 0 HA2 GLY A 7 7.006 10.279 -4.713 1.00 10.00 H new ATOM 0 HA3 GLY A 7 7.036 9.414 -6.237 1.00 10.00 H new ATOM 100 N TYR A 8 4.540 11.365 -6.433 1.00 10.00 N ATOM 101 CA TYR A 8 3.883 12.480 -7.127 1.00 10.00 C ATOM 102 C TYR A 8 2.540 12.915 -6.491 1.00 10.00 C ATOM 103 O TYR A 8 1.801 13.741 -7.036 1.00 10.00 O ATOM 104 CB TYR A 8 3.739 12.109 -8.615 1.00 10.00 C ATOM 105 CG TYR A 8 3.680 13.282 -9.582 1.00 10.00 C ATOM 106 CD1 TYR A 8 4.684 14.273 -9.559 1.00 10.00 C ATOM 107 CD2 TYR A 8 2.652 13.358 -10.542 1.00 10.00 C ATOM 108 CE1 TYR A 8 4.638 15.352 -10.463 1.00 10.00 C ATOM 109 CE2 TYR A 8 2.597 14.437 -11.445 1.00 10.00 C ATOM 110 CZ TYR A 8 3.590 15.442 -11.404 1.00 10.00 C ATOM 111 OH TYR A 8 3.556 16.487 -12.277 1.00 10.00 O ATOM 0 H TYR A 8 3.874 10.685 -6.067 1.00 10.00 H new ATOM 0 HA TYR A 8 4.514 13.363 -7.025 1.00 10.00 H new ATOM 0 HB2 TYR A 8 4.578 11.472 -8.895 1.00 10.00 H new ATOM 0 HB3 TYR A 8 2.833 11.515 -8.737 1.00 10.00 H new ATOM 0 HD1 TYR A 8 5.491 14.204 -8.845 1.00 10.00 H new ATOM 0 HD2 TYR A 8 1.901 12.583 -10.586 1.00 10.00 H new ATOM 0 HE1 TYR A 8 5.406 16.111 -10.436 1.00 10.00 H new ATOM 0 HE2 TYR A 8 1.797 14.497 -12.168 1.00 10.00 H new ATOM 0 HH TYR A 8 2.772 16.402 -12.859 1.00 10.00 H new ATOM 121 N LEU A 9 2.217 12.362 -5.317 1.00 10.00 N ATOM 122 CA LEU A 9 0.989 12.595 -4.552 1.00 10.00 C ATOM 123 C LEU A 9 0.687 14.082 -4.334 1.00 10.00 C ATOM 124 O LEU A 9 -0.440 14.527 -4.543 1.00 10.00 O ATOM 125 CB LEU A 9 1.119 11.829 -3.217 1.00 10.00 C ATOM 126 CG LEU A 9 0.035 12.151 -2.171 1.00 10.00 C ATOM 127 CD1 LEU A 9 -1.374 11.889 -2.695 1.00 10.00 C ATOM 128 CD2 LEU A 9 0.249 11.312 -0.912 1.00 10.00 C ATOM 0 H LEU A 9 2.840 11.704 -4.850 1.00 10.00 H new ATOM 0 HA LEU A 9 0.137 12.225 -5.121 1.00 10.00 H new ATOM 0 HB2 LEU A 9 1.094 10.759 -3.426 1.00 10.00 H new ATOM 0 HB3 LEU A 9 2.096 12.047 -2.784 1.00 10.00 H new ATOM 0 HG LEU A 9 0.126 13.213 -1.944 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -2.101 12.131 -1.920 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -1.557 12.510 -3.572 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -1.471 10.838 -2.968 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -0.524 11.549 -0.181 1.00 10.00 H new ATOM 0 HD22 LEU A 9 0.195 10.254 -1.167 1.00 10.00 H new ATOM 0 HD23 LEU A 9 1.229 11.534 -0.489 1.00 10.00 H new ATOM 140 N ASP A 10 1.699 14.865 -3.971 1.00 10.00 N ATOM 141 CA ASP A 10 1.589 16.304 -3.703 1.00 10.00 C ATOM 142 C ASP A 10 1.364 17.178 -4.963 1.00 10.00 C ATOM 143 O ASP A 10 1.452 18.406 -4.905 1.00 10.00 O ATOM 144 CB ASP A 10 2.802 16.763 -2.875 1.00 10.00 C ATOM 145 CG ASP A 10 4.124 16.729 -3.663 1.00 10.00 C ATOM 146 OD1 ASP A 10 4.573 15.620 -4.044 1.00 10.00 O ATOM 147 OD2 ASP A 10 4.740 17.802 -3.874 1.00 10.00 O ATOM 0 H ASP A 10 2.648 14.510 -3.850 1.00 10.00 H new ATOM 0 HA ASP A 10 0.678 16.454 -3.123 1.00 10.00 H new ATOM 0 HB2 ASP A 10 2.626 17.777 -2.517 1.00 10.00 H new ATOM 0 HB3 ASP A 10 2.895 16.126 -1.995 1.00 10.00 H new ATOM 152 N ASP A 11 1.051 16.548 -6.097 1.00 10.00 N ATOM 153 CA ASP A 11 0.575 17.167 -7.337 1.00 10.00 C ATOM 154 C ASP A 11 -0.787 16.572 -7.719 1.00 10.00 C ATOM 155 O ASP A 11 -1.751 17.296 -7.962 1.00 10.00 O ATOM 156 CB ASP A 11 1.608 17.000 -8.460 1.00 10.00 C ATOM 157 CG ASP A 11 1.166 17.757 -9.724 1.00 10.00 C ATOM 158 OD1 ASP A 11 1.473 18.968 -9.839 1.00 10.00 O ATOM 159 OD2 ASP A 11 0.496 17.154 -10.596 1.00 10.00 O ATOM 0 H ASP A 11 1.127 15.534 -6.180 1.00 10.00 H new ATOM 0 HA ASP A 11 0.446 18.238 -7.180 1.00 10.00 H new ATOM 0 HB2 ASP A 11 2.577 17.372 -8.128 1.00 10.00 H new ATOM 0 HB3 ASP A 11 1.735 15.942 -8.690 1.00 10.00 H new ATOM 164 N VAL A 12 -0.891 15.245 -7.668 1.00 10.00 N ATOM 165 CA VAL A 12 -2.050 14.458 -8.091 1.00 10.00 C ATOM 166 C VAL A 12 -3.246 14.600 -7.159 1.00 10.00 C ATOM 167 O VAL A 12 -4.377 14.764 -7.614 1.00 10.00 O ATOM 168 CB VAL A 12 -1.612 12.985 -8.181 1.00 10.00 C ATOM 169 CG1 VAL A 12 -2.773 11.998 -8.335 1.00 10.00 C ATOM 170 CG2 VAL A 12 -0.641 12.846 -9.358 1.00 10.00 C ATOM 0 H VAL A 12 -0.134 14.661 -7.314 1.00 10.00 H new ATOM 0 HA VAL A 12 -2.384 14.832 -9.059 1.00 10.00 H new ATOM 0 HB VAL A 12 -1.135 12.726 -7.236 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -2.382 10.982 -8.391 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -3.439 12.083 -7.477 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -3.325 12.225 -9.247 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -0.317 11.809 -9.441 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -1.141 13.145 -10.279 1.00 10.00 H new ATOM 0 HG23 VAL A 12 0.226 13.485 -9.192 1.00 10.00 H new ATOM 180 N SER A 13 -2.999 14.557 -5.853 1.00 10.00 N ATOM 181 CA SER A 13 -3.986 14.876 -4.830 1.00 10.00 C ATOM 182 C SER A 13 -4.139 16.380 -4.667 1.00 10.00 C ATOM 183 O SER A 13 -5.247 16.900 -4.515 1.00 10.00 O ATOM 184 CB SER A 13 -3.562 14.252 -3.505 1.00 10.00 C ATOM 185 OG SER A 13 -4.504 14.524 -2.481 1.00 10.00 O ATOM 0 H SER A 13 -2.091 14.295 -5.471 1.00 10.00 H new ATOM 0 HA SER A 13 -4.949 14.469 -5.139 1.00 10.00 H new ATOM 0 HB2 SER A 13 -3.455 13.174 -3.626 1.00 10.00 H new ATOM 0 HB3 SER A 13 -2.585 14.639 -3.215 1.00 10.00 H new ATOM 0 HG SER A 13 -4.206 14.110 -1.644 1.00 10.00 H new ATOM 191 N ALA A 14 -3.023 17.107 -4.744 1.00 10.00 N ATOM 192 CA ALA A 14 -3.043 18.529 -4.461 1.00 10.00 C ATOM 193 C ALA A 14 -3.815 19.357 -5.514 1.00 10.00 C ATOM 194 O ALA A 14 -4.319 20.436 -5.191 1.00 10.00 O ATOM 195 CB ALA A 14 -1.629 19.053 -4.259 1.00 10.00 C ATOM 0 H ALA A 14 -2.108 16.734 -4.997 1.00 10.00 H new ATOM 0 HA ALA A 14 -3.598 18.655 -3.531 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -1.664 20.122 -4.048 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -1.164 18.532 -3.422 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -1.045 18.881 -5.163 1.00 10.00 H new ATOM 201 N LYS A 15 -3.968 18.844 -6.750 1.00 10.00 N ATOM 202 CA LYS A 15 -4.851 19.410 -7.786 1.00 10.00 C ATOM 203 C LYS A 15 -6.283 19.600 -7.272 1.00 10.00 C ATOM 204 O LYS A 15 -6.891 20.651 -7.478 1.00 10.00 O ATOM 205 CB LYS A 15 -4.775 18.581 -9.092 1.00 10.00 C ATOM 206 CG LYS A 15 -5.738 17.382 -9.175 1.00 10.00 C ATOM 207 CD LYS A 15 -5.410 16.451 -10.350 1.00 10.00 C ATOM 208 CE LYS A 15 -5.680 17.114 -11.708 1.00 10.00 C ATOM 209 NZ LYS A 15 -5.364 16.198 -12.836 1.00 10.00 N ATOM 0 H LYS A 15 -3.472 18.009 -7.061 1.00 10.00 H new ATOM 0 HA LYS A 15 -4.492 20.410 -8.031 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -4.975 19.244 -9.934 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -3.755 18.214 -9.210 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -5.693 16.818 -8.244 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.760 17.746 -9.278 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -4.363 16.154 -10.295 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.004 15.541 -10.267 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -6.726 17.415 -11.765 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -5.082 18.021 -11.796 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -5.558 16.678 -13.738 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -4.360 15.931 -12.795 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -5.953 15.344 -12.765 1.00 10.00 H new ATOM 223 N PHE A 16 -6.780 18.605 -6.532 1.00 10.00 N ATOM 224 CA PHE A 16 -8.025 18.666 -5.786 1.00 10.00 C ATOM 225 C PHE A 16 -7.901 19.600 -4.580 1.00 10.00 C ATOM 226 O PHE A 16 -8.761 20.451 -4.388 1.00 10.00 O ATOM 227 CB PHE A 16 -8.479 17.243 -5.397 1.00 10.00 C ATOM 228 CG PHE A 16 -9.260 17.098 -4.101 1.00 10.00 C ATOM 229 CD1 PHE A 16 -8.568 16.989 -2.877 1.00 10.00 C ATOM 230 CD2 PHE A 16 -10.666 17.020 -4.115 1.00 10.00 C ATOM 231 CE1 PHE A 16 -9.279 16.849 -1.673 1.00 10.00 C ATOM 232 CE2 PHE A 16 -11.376 16.865 -2.910 1.00 10.00 C ATOM 233 CZ PHE A 16 -10.683 16.788 -1.689 1.00 10.00 C ATOM 0 H PHE A 16 -6.305 17.707 -6.437 1.00 10.00 H new ATOM 0 HA PHE A 16 -8.802 19.092 -6.421 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -9.092 16.850 -6.208 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -7.593 16.611 -5.331 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -7.488 17.013 -2.865 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -11.200 17.079 -5.052 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -8.747 16.788 -0.735 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -12.454 16.805 -2.923 1.00 10.00 H new ATOM 0 HZ PHE A 16 -11.230 16.682 -0.764 1.00 10.00 H new ATOM 243 N ASP A 17 -6.831 19.499 -3.790 1.00 10.00 N ATOM 244 CA ASP A 17 -6.703 20.236 -2.527 1.00 10.00 C ATOM 245 C ASP A 17 -6.645 21.771 -2.676 1.00 10.00 C ATOM 246 O ASP A 17 -6.981 22.494 -1.737 1.00 10.00 O ATOM 247 CB ASP A 17 -5.492 19.710 -1.747 1.00 10.00 C ATOM 248 CG ASP A 17 -5.490 20.174 -0.281 1.00 10.00 C ATOM 249 OD1 ASP A 17 -6.383 19.748 0.491 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.568 20.927 0.117 1.00 10.00 O ATOM 0 H ASP A 17 -6.029 18.906 -4.005 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.622 20.050 -1.971 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.488 18.621 -1.780 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.576 20.047 -2.233 1.00 10.00 H new ATOM 255 N THR A 18 -6.285 22.282 -3.860 1.00 10.00 N ATOM 256 CA THR A 18 -6.347 23.705 -4.206 1.00 10.00 C ATOM 257 C THR A 18 -7.597 24.086 -5.018 1.00 10.00 C ATOM 258 O THR A 18 -8.140 25.178 -4.852 1.00 10.00 O ATOM 259 CB THR A 18 -5.041 24.147 -4.883 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.884 25.545 -4.778 1.00 10.00 O ATOM 261 CG2 THR A 18 -4.976 23.780 -6.362 1.00 10.00 C ATOM 0 H THR A 18 -5.934 21.702 -4.622 1.00 10.00 H new ATOM 0 HA THR A 18 -6.449 24.260 -3.273 1.00 10.00 H new ATOM 0 HB THR A 18 -4.243 23.617 -4.362 1.00 10.00 H new ATOM 0 HG1 THR A 18 -4.047 25.814 -5.212 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.029 24.120 -6.780 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.054 22.698 -6.472 1.00 10.00 H new ATOM 0 HG23 THR A 18 -5.799 24.259 -6.892 1.00 10.00 H new ATOM 269 N GLY A 19 -8.128 23.169 -5.840 1.00 10.00 N ATOM 270 CA GLY A 19 -9.384 23.369 -6.576 1.00 10.00 C ATOM 271 C GLY A 19 -10.603 23.394 -5.652 1.00 10.00 C ATOM 272 O GLY A 19 -11.465 24.262 -5.778 1.00 10.00 O ATOM 0 H GLY A 19 -7.695 22.262 -6.014 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.332 24.306 -7.130 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.503 22.571 -7.309 1.00 10.00 H new ATOM 292 N ASP A 21 -10.363 24.303 -2.548 1.00 10.00 N ATOM 293 CA ASP A 21 -10.144 25.540 -1.835 1.00 10.00 C ATOM 294 C ASP A 21 -10.597 26.775 -2.611 1.00 10.00 C ATOM 295 O ASP A 21 -10.948 27.763 -1.979 1.00 10.00 O ATOM 296 CB ASP A 21 -8.710 25.561 -1.334 1.00 10.00 C ATOM 297 CG ASP A 21 -8.278 26.910 -0.734 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.631 27.186 0.438 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.551 27.675 -1.413 1.00 10.00 O ATOM 0 HA ASP A 21 -10.791 25.584 -0.959 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.588 24.784 -0.580 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.044 25.312 -2.160 1.00 10.00 H new ATOM 304 N ASN A 22 -10.718 26.727 -3.941 1.00 10.00 N ATOM 305 CA ASN A 22 -11.381 27.795 -4.681 1.00 10.00 C ATOM 306 C ASN A 22 -12.890 27.810 -4.409 1.00 10.00 C ATOM 307 O ASN A 22 -13.530 28.857 -4.504 1.00 10.00 O ATOM 308 CB ASN A 22 -11.217 27.608 -6.194 1.00 10.00 C ATOM 309 CG ASN A 22 -9.791 27.751 -6.700 1.00 10.00 C ATOM 310 OD1 ASN A 22 -8.977 28.498 -6.174 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.449 27.064 -7.767 1.00 10.00 N ATOM 0 H ASN A 22 -10.367 25.964 -4.520 1.00 10.00 H new ATOM 0 HA ASN A 22 -10.916 28.723 -4.349 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.588 26.620 -6.467 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -11.845 28.337 -6.707 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.509 27.155 -8.153 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.124 26.440 -8.210 1.00 10.00 H new ATOM 318 N LEU A 23 -13.462 26.650 -4.078 1.00 10.00 N ATOM 319 CA LEU A 23 -14.817 26.540 -3.589 1.00 10.00 C ATOM 320 C LEU A 23 -14.911 26.889 -2.104 1.00 10.00 C ATOM 321 O LEU A 23 -15.750 27.694 -1.721 1.00 10.00 O ATOM 322 CB LEU A 23 -15.415 25.177 -3.967 1.00 10.00 C ATOM 323 CG LEU A 23 -16.770 25.354 -4.684 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.759 26.137 -3.831 1.00 10.00 C ATOM 325 CD2 LEU A 23 -16.869 26.007 -6.059 1.00 10.00 C ATOM 0 H LEU A 23 -12.980 25.754 -4.147 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.440 27.285 -4.084 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.723 24.638 -4.615 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.549 24.572 -3.070 1.00 10.00 H new ATOM 0 HG LEU A 23 -16.979 24.296 -4.842 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.701 26.241 -4.369 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -17.933 25.606 -2.895 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.352 27.125 -3.617 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -17.911 26.030 -6.377 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.483 27.025 -6.007 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.283 25.433 -6.777 1.00 10.00 H new ATOM 337 N GLN A 24 -13.991 26.385 -1.287 1.00 10.00 N ATOM 338 CA GLN A 24 -13.892 26.662 0.138 1.00 10.00 C ATOM 339 C GLN A 24 -13.735 28.154 0.423 1.00 10.00 C ATOM 340 O GLN A 24 -14.440 28.675 1.271 1.00 10.00 O ATOM 341 CB GLN A 24 -12.688 25.924 0.728 1.00 10.00 C ATOM 342 CG GLN A 24 -12.791 25.706 2.229 1.00 10.00 C ATOM 343 CD GLN A 24 -13.767 24.588 2.601 1.00 10.00 C ATOM 344 OE1 GLN A 24 -14.890 24.820 3.023 1.00 10.00 O ATOM 345 NE2 GLN A 24 -13.386 23.335 2.453 1.00 10.00 N ATOM 0 H GLN A 24 -13.266 25.747 -1.615 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.819 26.318 0.597 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.585 24.958 0.234 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.782 26.490 0.512 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.804 25.467 2.625 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -13.110 26.633 2.705 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.452 23.124 2.102 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -14.025 22.576 2.690 1.00 10.00 H new ATOM 354 N THR A 25 -12.846 28.854 -0.281 1.00 10.00 N ATOM 355 CA THR A 25 -12.642 30.298 -0.160 1.00 10.00 C ATOM 356 C THR A 25 -13.947 31.029 -0.438 1.00 10.00 C ATOM 357 O THR A 25 -14.418 31.819 0.370 1.00 10.00 O ATOM 358 CB THR A 25 -11.466 30.755 -1.043 1.00 10.00 C ATOM 359 OG1 THR A 25 -10.982 32.014 -0.624 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.731 30.833 -2.540 1.00 10.00 C ATOM 0 H THR A 25 -12.231 28.421 -0.970 1.00 10.00 H new ATOM 0 HA THR A 25 -12.358 30.553 0.861 1.00 10.00 H new ATOM 0 HB THR A 25 -10.734 29.960 -0.903 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.234 32.284 -1.197 1.00 10.00 H new ATOM 0 HG21 THR A 25 -10.828 31.166 -3.052 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.016 29.849 -2.911 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.538 31.540 -2.730 1.00 10.00 H new ATOM 368 N GLN A 26 -14.625 30.625 -1.505 1.00 10.00 N ATOM 369 CA GLN A 26 -15.948 31.092 -1.894 1.00 10.00 C ATOM 370 C GLN A 26 -17.051 30.860 -0.843 1.00 10.00 C ATOM 371 O GLN A 26 -17.758 31.807 -0.489 1.00 10.00 O ATOM 372 CB GLN A 26 -16.272 30.464 -3.259 1.00 10.00 C ATOM 373 CG GLN A 26 -15.961 31.425 -4.413 1.00 10.00 C ATOM 374 CD GLN A 26 -15.918 30.724 -5.771 1.00 10.00 C ATOM 375 OE1 GLN A 26 -16.666 29.795 -6.048 1.00 10.00 O ATOM 376 NE2 GLN A 26 -15.066 31.144 -6.681 1.00 10.00 N ATOM 0 H GLN A 26 -14.250 29.931 -2.152 1.00 10.00 H new ATOM 0 HA GLN A 26 -15.926 32.179 -1.969 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.696 29.547 -3.384 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.325 30.186 -3.291 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -16.715 32.211 -4.439 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.002 31.909 -4.228 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -14.434 31.917 -6.470 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -15.037 30.697 -7.597 1.00 10.00 H new ATOM 385 N VAL A 27 -17.194 29.652 -0.285 1.00 10.00 N ATOM 386 CA VAL A 27 -18.140 29.386 0.806 1.00 10.00 C ATOM 387 C VAL A 27 -17.749 30.102 2.087 1.00 10.00 C ATOM 388 O VAL A 27 -18.603 30.592 2.818 1.00 10.00 O ATOM 389 CB VAL A 27 -18.374 27.899 1.118 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.341 26.986 -0.116 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.464 27.231 2.149 1.00 10.00 C ATOM 0 H VAL A 27 -16.659 28.834 -0.576 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.082 29.781 0.425 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.372 27.982 1.549 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.514 25.954 0.190 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.118 27.292 -0.816 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.367 27.062 -0.599 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.749 26.185 2.263 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.429 27.290 1.813 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.564 27.741 3.107 1.00 10.00 H new ATOM 401 N THR A 28 -16.453 30.196 2.360 1.00 10.00 N ATOM 402 CA THR A 28 -15.936 30.916 3.508 1.00 10.00 C ATOM 403 C THR A 28 -16.194 32.401 3.375 1.00 10.00 C ATOM 404 O THR A 28 -16.315 33.087 4.376 1.00 10.00 O ATOM 405 CB THR A 28 -14.438 30.743 3.702 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.065 29.386 3.790 1.00 10.00 O ATOM 407 CG2 THR A 28 -14.004 31.392 5.001 1.00 10.00 C ATOM 0 H THR A 28 -15.728 29.769 1.783 1.00 10.00 H new ATOM 0 HA THR A 28 -16.459 30.493 4.366 1.00 10.00 H new ATOM 0 HB THR A 28 -13.963 31.203 2.836 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.874 29.040 2.893 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.930 31.263 5.131 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.241 32.456 4.973 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.529 30.925 5.834 1.00 10.00 H new ATOM 415 N GLU A 29 -16.293 32.934 2.166 1.00 10.00 N ATOM 416 CA GLU A 29 -16.646 34.320 1.982 1.00 10.00 C ATOM 417 C GLU A 29 -18.169 34.542 2.121 1.00 10.00 C ATOM 418 O GLU A 29 -18.594 35.605 2.564 1.00 10.00 O ATOM 419 CB GLU A 29 -16.053 34.862 0.698 1.00 10.00 C ATOM 420 CG GLU A 29 -14.535 35.042 0.824 1.00 10.00 C ATOM 421 CD GLU A 29 -13.937 35.726 -0.422 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.072 35.192 -1.551 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.325 36.814 -0.282 1.00 10.00 O ATOM 0 H GLU A 29 -16.132 32.420 1.300 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.201 34.906 2.786 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.275 34.182 -0.124 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.517 35.818 0.455 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.311 35.638 1.709 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.064 34.070 0.967 1.00 10.00 H new ATOM 430 N ALA A 30 -19.012 33.549 1.808 1.00 10.00 N ATOM 431 CA ALA A 30 -20.437 33.574 2.155 1.00 10.00 C ATOM 432 C ALA A 30 -20.579 33.566 3.681 1.00 10.00 C ATOM 433 O ALA A 30 -21.356 34.313 4.274 1.00 10.00 O ATOM 434 CB ALA A 30 -21.137 32.344 1.570 1.00 10.00 C ATOM 0 H ALA A 30 -18.725 32.708 1.308 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.896 34.473 1.744 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.195 32.369 1.831 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.031 32.347 0.485 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.684 31.440 1.977 1.00 10.00 H new ATOM 440 N LEU A 31 -19.752 32.747 4.320 1.00 10.00 N ATOM 441 CA LEU A 31 -19.548 32.717 5.744 1.00 10.00 C ATOM 442 C LEU A 31 -18.888 33.997 6.281 1.00 10.00 C ATOM 443 O LEU A 31 -19.188 34.376 7.394 1.00 10.00 O ATOM 444 CB LEU A 31 -18.706 31.491 6.058 1.00 10.00 C ATOM 445 CG LEU A 31 -18.515 31.283 7.556 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.708 30.546 8.139 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.219 30.527 7.748 1.00 10.00 C ATOM 0 H LEU A 31 -19.184 32.058 3.827 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.516 32.663 6.243 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -19.181 30.608 5.629 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.731 31.592 5.581 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.454 32.234 8.085 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.560 30.403 9.209 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.613 31.130 7.973 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.808 29.575 7.654 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -17.049 30.360 8.812 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.278 29.567 7.235 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.394 31.108 7.336 1.00 10.00 H new ATOM 459 N ASP A 32 -18.046 34.716 5.540 1.00 10.00 N ATOM 460 CA ASP A 32 -17.522 36.021 5.949 1.00 10.00 C ATOM 461 C ASP A 32 -18.689 36.993 6.165 1.00 10.00 C ATOM 462 O ASP A 32 -18.685 37.778 7.116 1.00 10.00 O ATOM 463 CB ASP A 32 -16.467 36.533 4.950 1.00 10.00 C ATOM 464 CG ASP A 32 -16.012 37.964 5.277 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.195 38.142 6.213 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.453 38.910 4.581 1.00 10.00 O ATOM 0 H ASP A 32 -17.704 34.407 4.630 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.998 35.930 6.900 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.604 35.867 4.960 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.879 36.505 3.941 1.00 10.00 H new ATOM 471 N LYS A 33 -19.752 36.849 5.359 1.00 10.00 N ATOM 472 CA LYS A 33 -21.022 37.521 5.557 1.00 10.00 C ATOM 473 C LYS A 33 -21.763 36.955 6.772 1.00 10.00 C ATOM 474 O LYS A 33 -22.342 37.696 7.562 1.00 10.00 O ATOM 475 CB LYS A 33 -21.899 37.484 4.304 1.00 10.00 C ATOM 476 CG LYS A 33 -21.280 37.503 2.904 1.00 10.00 C ATOM 477 CD LYS A 33 -20.065 38.412 2.702 1.00 10.00 C ATOM 478 CE LYS A 33 -19.713 38.456 1.215 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.525 39.314 0.968 1.00 10.00 N ATOM 0 H LYS A 33 -19.741 36.246 4.536 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.800 38.570 5.755 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.511 36.584 4.370 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.577 38.335 4.364 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.990 36.484 2.647 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.051 37.803 2.195 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.282 39.416 3.067 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.218 38.040 3.278 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.516 37.446 0.855 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.563 38.836 0.649 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.310 39.325 -0.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.723 40.283 1.290 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.709 38.936 1.490 1.00 10.00 H new ATOM 493 N LEU A 34 -21.784 35.631 6.926 1.00 10.00 N ATOM 494 CA LEU A 34 -22.536 34.945 7.986 1.00 10.00 C ATOM 495 C LEU A 34 -21.869 35.115 9.360 1.00 10.00 C ATOM 496 O LEU A 34 -22.478 34.957 10.404 1.00 10.00 O ATOM 497 CB LEU A 34 -22.758 33.486 7.586 1.00 10.00 C ATOM 498 CG LEU A 34 -24.191 32.974 7.818 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.339 31.678 7.089 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.672 32.614 9.208 1.00 10.00 C ATOM 0 H LEU A 34 -21.275 34.994 6.313 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.517 35.407 8.095 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.510 33.369 6.531 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.066 32.859 8.147 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.769 33.843 7.504 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.347 31.291 7.236 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.163 31.837 6.025 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.615 30.960 7.473 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.707 32.275 9.159 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -24.049 31.817 9.614 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.607 33.490 9.854 1.00 10.00 H new ATOM 512 N ALA A 35 -20.591 35.447 9.372 1.00 10.00 N ATOM 513 CA ALA A 35 -19.835 35.866 10.525 1.00 10.00 C ATOM 514 C ALA A 35 -20.100 37.383 10.815 1.00 10.00 C ATOM 515 O ALA A 35 -19.942 37.833 11.952 1.00 10.00 O ATOM 516 CB ALA A 35 -18.379 35.450 10.254 1.00 10.00 C ATOM 0 H ALA A 35 -20.025 35.428 8.524 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.133 35.387 11.457 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.754 35.743 11.098 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.328 34.369 10.122 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -18.022 35.943 9.350 1.00 10.00 H new ATOM 522 N ALA A 36 -20.528 38.169 9.800 1.00 10.00 N ATOM 523 CA ALA A 36 -20.902 39.600 9.848 1.00 10.00 C ATOM 524 C ALA A 36 -22.330 39.927 10.362 1.00 10.00 C ATOM 525 O ALA A 36 -22.483 40.715 11.300 1.00 10.00 O ATOM 526 CB ALA A 36 -20.662 40.233 8.458 1.00 10.00 C ATOM 0 H ALA A 36 -20.628 37.791 8.858 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.255 40.039 10.607 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.936 41.288 8.486 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.609 40.138 8.192 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.272 39.720 7.714 1.00 10.00 H new ATOM 532 N LYS A 37 -23.371 39.334 9.758 1.00 10.00 N ATOM 533 CA LYS A 37 -24.821 39.553 10.027 1.00 10.00 C ATOM 534 C LYS A 37 -25.567 38.197 10.022 1.00 10.00 C ATOM 535 O LYS A 37 -26.605 38.043 9.380 1.00 10.00 O ATOM 536 CB LYS A 37 -25.354 40.427 8.890 1.00 10.00 C ATOM 537 CG LYS A 37 -26.673 41.149 9.163 1.00 10.00 C ATOM 538 CD LYS A 37 -27.193 41.684 7.824 1.00 10.00 C ATOM 539 CE LYS A 37 -28.522 42.395 8.070 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.225 42.713 6.802 1.00 10.00 N ATOM 0 H LYS A 37 -23.226 38.644 9.021 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.970 40.026 10.998 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.598 41.173 8.647 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.481 39.802 8.006 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.397 40.468 9.611 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.524 41.965 9.870 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.471 42.372 7.385 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.326 40.867 7.115 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.160 41.766 8.691 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.343 43.315 8.626 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -30.041 43.325 7.002 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.573 43.204 6.157 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.554 41.832 6.357 1.00 10.00 H new ATOM 554 N PRO A 38 -25.056 37.198 10.746 1.00 10.00 N ATOM 555 CA PRO A 38 -25.427 35.804 10.639 1.00 10.00 C ATOM 556 C PRO A 38 -26.697 35.314 9.959 1.00 10.00 C ATOM 557 O PRO A 38 -26.659 34.997 8.774 1.00 10.00 O ATOM 558 CB PRO A 38 -25.041 35.100 11.933 1.00 10.00 C ATOM 559 CG PRO A 38 -24.245 36.136 12.732 1.00 10.00 C ATOM 560 CD PRO A 38 -24.091 37.352 11.817 1.00 10.00 C ATOM 0 HA PRO A 38 -24.841 35.480 9.779 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.924 34.773 12.482 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.442 34.211 11.734 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.766 36.404 13.651 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.271 35.741 13.021 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.270 38.275 12.368 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.078 37.410 11.419 1.00 10.00 H new ATOM 568 N SER A 39 -27.808 35.182 10.668 1.00 10.00 N ATOM 569 CA SER A 39 -28.980 34.514 10.133 1.00 10.00 C ATOM 570 C SER A 39 -29.776 35.358 9.130 1.00 10.00 C ATOM 571 O SER A 39 -30.890 34.973 8.777 1.00 10.00 O ATOM 572 CB SER A 39 -29.799 33.872 11.243 1.00 10.00 C ATOM 573 OG SER A 39 -30.303 34.840 12.152 1.00 10.00 O ATOM 0 H SER A 39 -27.920 35.531 11.620 1.00 10.00 H new ATOM 0 HA SER A 39 -28.630 33.690 9.511 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.629 33.315 10.807 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.181 33.154 11.782 1.00 10.00 H new ATOM 0 HG SER A 39 -30.825 34.392 12.850 1.00 10.00 H new ATOM 579 N ASP A 40 -29.221 36.502 8.682 1.00 10.00 N ATOM 580 CA ASP A 40 -29.710 37.282 7.537 1.00 10.00 C ATOM 581 C ASP A 40 -29.885 36.266 6.399 1.00 10.00 C ATOM 582 O ASP A 40 -28.898 35.760 5.872 1.00 10.00 O ATOM 583 CB ASP A 40 -28.754 38.427 7.167 1.00 10.00 C ATOM 584 CG ASP A 40 -29.190 39.111 5.860 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.857 38.615 4.759 1.00 10.00 O ATOM 586 OD2 ASP A 40 -29.877 40.156 5.941 1.00 10.00 O ATOM 0 H ASP A 40 -28.399 36.916 9.121 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.651 37.783 7.764 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.729 39.159 7.974 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.741 38.039 7.058 1.00 10.00 H new ATOM 591 N PRO A 41 -31.113 35.903 6.018 1.00 10.00 N ATOM 592 CA PRO A 41 -31.304 34.750 5.155 1.00 10.00 C ATOM 593 C PRO A 41 -30.770 34.891 3.738 1.00 10.00 C ATOM 594 O PRO A 41 -30.453 33.881 3.117 1.00 10.00 O ATOM 595 CB PRO A 41 -32.803 34.495 5.183 1.00 10.00 C ATOM 596 CG PRO A 41 -33.398 35.882 5.447 1.00 10.00 C ATOM 597 CD PRO A 41 -32.377 36.523 6.375 1.00 10.00 C ATOM 0 HA PRO A 41 -30.717 33.911 5.528 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.157 34.080 4.239 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.075 33.786 5.965 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.519 36.451 4.525 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.381 35.817 5.913 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.341 37.604 6.238 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.625 36.343 7.421 1.00 10.00 H new ATOM 605 N ALA A 42 -30.628 36.106 3.223 1.00 10.00 N ATOM 606 CA ALA A 42 -30.080 36.327 1.902 1.00 10.00 C ATOM 607 C ALA A 42 -28.568 36.019 1.833 1.00 10.00 C ATOM 608 O ALA A 42 -28.126 35.392 0.868 1.00 10.00 O ATOM 609 CB ALA A 42 -30.446 37.756 1.502 1.00 10.00 C ATOM 0 H ALA A 42 -30.891 36.961 3.713 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.510 35.633 1.180 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -30.052 37.968 0.508 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.531 37.865 1.493 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -30.017 38.456 2.219 1.00 10.00 H new ATOM 615 N LEU A 43 -27.782 36.365 2.866 1.00 10.00 N ATOM 616 CA LEU A 43 -26.387 35.933 2.990 1.00 10.00 C ATOM 617 C LEU A 43 -26.253 34.495 3.526 1.00 10.00 C ATOM 618 O LEU A 43 -25.434 33.733 3.015 1.00 10.00 O ATOM 619 CB LEU A 43 -25.594 36.977 3.800 1.00 10.00 C ATOM 620 CG LEU A 43 -25.793 36.960 5.314 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.899 35.953 5.988 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.309 38.222 6.010 1.00 10.00 C ATOM 0 H LEU A 43 -28.100 36.952 3.637 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.945 35.884 1.995 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.533 36.835 3.594 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.860 37.968 3.432 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.865 36.783 5.402 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.073 35.974 7.064 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.119 34.957 5.604 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.857 36.198 5.784 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.484 38.136 7.082 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.243 38.353 5.825 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.853 39.083 5.622 1.00 10.00 H new ATOM 634 N LEU A 44 -27.043 34.096 4.535 1.00 10.00 N ATOM 635 CA LEU A 44 -26.984 32.750 5.122 1.00 10.00 C ATOM 636 C LEU A 44 -27.369 31.736 4.068 1.00 10.00 C ATOM 637 O LEU A 44 -26.626 30.788 3.898 1.00 10.00 O ATOM 638 CB LEU A 44 -27.758 32.688 6.469 1.00 10.00 C ATOM 639 CG LEU A 44 -28.646 31.497 6.881 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.724 31.058 5.894 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.832 30.259 7.191 1.00 10.00 C ATOM 0 H LEU A 44 -27.742 34.700 4.967 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.968 32.487 5.417 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -27.014 32.804 7.257 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.395 33.572 6.499 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.149 31.908 7.756 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.274 30.213 6.308 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.411 31.885 5.714 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.258 30.762 4.954 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.500 29.446 7.476 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.262 29.968 6.308 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.147 30.470 8.012 1.00 10.00 H new ATOM 653 N ALA A 45 -28.417 31.918 3.269 1.00 10.00 N ATOM 654 CA ALA A 45 -28.745 30.907 2.282 1.00 10.00 C ATOM 655 C ALA A 45 -27.788 30.938 1.083 1.00 10.00 C ATOM 656 O ALA A 45 -27.654 29.927 0.399 1.00 10.00 O ATOM 657 CB ALA A 45 -30.223 30.963 1.932 1.00 10.00 C ATOM 0 H ALA A 45 -29.033 32.731 3.286 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.585 29.920 2.716 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.451 30.197 1.190 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.816 30.787 2.829 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.464 31.945 1.525 1.00 10.00 H new ATOM 663 N ALA A 46 -27.072 32.043 0.845 1.00 10.00 N ATOM 664 CA ALA A 46 -25.969 32.053 -0.105 1.00 10.00 C ATOM 665 C ALA A 46 -24.813 31.192 0.442 1.00 10.00 C ATOM 666 O ALA A 46 -24.184 30.458 -0.320 1.00 10.00 O ATOM 667 CB ALA A 46 -25.524 33.476 -0.420 1.00 10.00 C ATOM 0 H ALA A 46 -27.242 32.939 1.301 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.303 31.619 -1.047 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.699 33.450 -1.132 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.358 34.031 -0.850 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.197 33.966 0.497 1.00 10.00 H new ATOM 673 N TYR A 47 -24.577 31.205 1.763 1.00 10.00 N ATOM 674 CA TYR A 47 -23.678 30.264 2.426 1.00 10.00 C ATOM 675 C TYR A 47 -24.194 28.855 2.245 1.00 10.00 C ATOM 676 O TYR A 47 -23.462 28.025 1.731 1.00 10.00 O ATOM 677 CB TYR A 47 -23.515 30.547 3.920 1.00 10.00 C ATOM 678 CG TYR A 47 -22.550 29.605 4.645 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.292 29.278 4.101 1.00 10.00 C ATOM 680 CD2 TYR A 47 -22.975 28.934 5.811 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.467 28.317 4.717 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.153 27.979 6.439 1.00 10.00 C ATOM 683 CZ TYR A 47 -20.894 27.664 5.892 1.00 10.00 C ATOM 684 OH TYR A 47 -20.109 26.728 6.491 1.00 10.00 O ATOM 0 H TYR A 47 -25.010 31.874 2.399 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.699 30.383 1.962 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.166 31.572 4.046 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.493 30.482 4.398 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.956 29.770 3.200 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -23.946 29.156 6.228 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.505 28.079 4.288 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -22.488 27.488 7.341 1.00 10.00 H new ATOM 0 HH TYR A 47 -20.562 26.384 7.289 1.00 10.00 H new ATOM 694 N GLN A 48 -25.467 28.619 2.573 1.00 10.00 N ATOM 695 CA GLN A 48 -26.127 27.327 2.424 1.00 10.00 C ATOM 696 C GLN A 48 -26.045 26.793 0.985 1.00 10.00 C ATOM 697 O GLN A 48 -25.967 25.587 0.763 1.00 10.00 O ATOM 698 CB GLN A 48 -27.595 27.367 2.871 1.00 10.00 C ATOM 699 CG GLN A 48 -27.894 27.795 4.305 1.00 10.00 C ATOM 700 CD GLN A 48 -27.241 26.902 5.354 1.00 10.00 C ATOM 701 OE1 GLN A 48 -27.741 25.844 5.713 1.00 10.00 O ATOM 702 NE2 GLN A 48 -26.095 27.281 5.877 1.00 10.00 N ATOM 0 H GLN A 48 -26.078 29.340 2.958 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.584 26.646 3.079 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -28.130 28.042 2.202 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -28.016 26.373 2.724 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -27.553 28.820 4.449 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.973 27.794 4.459 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -25.668 28.160 5.586 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -25.634 26.695 6.573 1.00 10.00 H new ATOM 711 N SER A 49 -26.027 27.695 0.005 1.00 10.00 N ATOM 712 CA SER A 49 -25.875 27.387 -1.403 1.00 10.00 C ATOM 713 C SER A 49 -24.432 27.039 -1.760 1.00 10.00 C ATOM 714 O SER A 49 -24.176 25.998 -2.367 1.00 10.00 O ATOM 715 CB SER A 49 -26.362 28.586 -2.238 1.00 10.00 C ATOM 716 OG SER A 49 -26.292 28.292 -3.623 1.00 10.00 O ATOM 0 H SER A 49 -26.122 28.695 0.184 1.00 10.00 H new ATOM 0 HA SER A 49 -26.479 26.508 -1.628 1.00 10.00 H new ATOM 0 HB2 SER A 49 -27.388 28.833 -1.965 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.753 29.462 -2.016 1.00 10.00 H new ATOM 0 HG SER A 49 -26.607 29.064 -4.138 1.00 10.00 H new ATOM 722 N LYS A 50 -23.459 27.856 -1.337 1.00 10.00 N ATOM 723 CA LYS A 50 -22.041 27.612 -1.586 1.00 10.00 C ATOM 724 C LYS A 50 -21.499 26.387 -0.873 1.00 10.00 C ATOM 725 O LYS A 50 -20.741 25.634 -1.468 1.00 10.00 O ATOM 726 CB LYS A 50 -21.233 28.910 -1.358 1.00 10.00 C ATOM 727 CG LYS A 50 -21.468 29.957 -2.456 1.00 10.00 C ATOM 728 CD LYS A 50 -21.117 29.454 -3.866 1.00 10.00 C ATOM 729 CE LYS A 50 -19.638 29.229 -4.115 1.00 10.00 C ATOM 730 NZ LYS A 50 -19.335 29.232 -5.572 1.00 10.00 N ATOM 0 H LYS A 50 -23.640 28.710 -0.809 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.919 27.346 -2.636 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.504 29.336 -0.392 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.171 28.669 -1.314 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.514 30.263 -2.438 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -20.873 30.843 -2.236 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -21.647 28.518 -4.044 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -21.488 30.174 -4.595 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.060 30.008 -3.618 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -19.333 28.278 -3.679 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -18.309 29.332 -5.713 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -19.657 28.338 -5.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.826 30.028 -6.027 1.00 10.00 H new ATOM 744 N LEU A 51 -21.979 26.126 0.330 1.00 10.00 N ATOM 745 CA LEU A 51 -21.815 24.923 1.136 1.00 10.00 C ATOM 746 C LEU A 51 -22.133 23.676 0.301 1.00 10.00 C ATOM 747 O LEU A 51 -21.391 22.693 0.339 1.00 10.00 O ATOM 748 CB LEU A 51 -22.762 25.198 2.328 1.00 10.00 C ATOM 749 CG LEU A 51 -23.216 24.092 3.287 1.00 10.00 C ATOM 750 CD1 LEU A 51 -23.914 24.775 4.466 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.265 23.165 2.671 1.00 10.00 C ATOM 0 H LEU A 51 -22.550 26.817 0.817 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.805 24.717 1.490 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -22.282 25.963 2.938 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.667 25.642 1.913 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.336 23.508 3.556 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.254 24.020 5.175 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.215 25.449 4.961 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.770 25.343 4.102 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.548 22.402 3.397 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -25.145 23.745 2.393 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.851 22.686 1.784 1.00 10.00 H new ATOM 763 N SER A 52 -23.179 23.747 -0.524 1.00 10.00 N ATOM 764 CA SER A 52 -23.507 22.723 -1.504 1.00 10.00 C ATOM 765 C SER A 52 -22.695 22.783 -2.796 1.00 10.00 C ATOM 766 O SER A 52 -22.314 21.729 -3.290 1.00 10.00 O ATOM 767 CB SER A 52 -24.977 22.752 -1.886 1.00 10.00 C ATOM 768 OG SER A 52 -25.814 22.595 -0.750 1.00 10.00 O ATOM 0 H SER A 52 -23.830 24.533 -0.526 1.00 10.00 H new ATOM 0 HA SER A 52 -23.251 21.797 -0.989 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.207 23.696 -2.381 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.183 21.958 -2.603 1.00 10.00 H new ATOM 0 HG SER A 52 -25.898 23.453 -0.284 1.00 10.00 H new ATOM 774 N GLU A 53 -22.379 23.961 -3.348 1.00 10.00 N ATOM 775 CA GLU A 53 -21.488 24.092 -4.507 1.00 10.00 C ATOM 776 C GLU A 53 -20.094 23.522 -4.229 1.00 10.00 C ATOM 777 O GLU A 53 -19.413 23.071 -5.138 1.00 10.00 O ATOM 778 CB GLU A 53 -21.245 25.529 -4.952 1.00 10.00 C ATOM 779 CG GLU A 53 -22.209 26.313 -5.825 1.00 10.00 C ATOM 780 CD GLU A 53 -22.768 25.544 -7.035 1.00 10.00 C ATOM 781 OE1 GLU A 53 -23.697 24.721 -6.860 1.00 10.00 O ATOM 782 OE2 GLU A 53 -22.306 25.799 -8.173 1.00 10.00 O ATOM 0 H GLU A 53 -22.735 24.852 -3.002 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.017 23.541 -5.284 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -21.112 26.113 -4.042 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.288 25.530 -5.474 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.044 26.646 -5.209 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.702 27.208 -6.186 1.00 10.00 H new ATOM 789 N TYR A 54 -19.631 23.573 -2.988 1.00 10.00 N ATOM 790 CA TYR A 54 -18.366 22.995 -2.570 1.00 10.00 C ATOM 791 C TYR A 54 -18.437 21.461 -2.590 1.00 10.00 C ATOM 792 O TYR A 54 -17.519 20.802 -3.083 1.00 10.00 O ATOM 793 CB TYR A 54 -17.947 23.627 -1.237 1.00 10.00 C ATOM 794 CG TYR A 54 -17.354 22.689 -0.241 1.00 10.00 C ATOM 795 CD1 TYR A 54 -16.118 22.099 -0.532 1.00 10.00 C ATOM 796 CD2 TYR A 54 -18.031 22.402 0.953 1.00 10.00 C ATOM 797 CE1 TYR A 54 -15.558 21.196 0.373 1.00 10.00 C ATOM 798 CE2 TYR A 54 -17.463 21.513 1.873 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.212 20.910 1.595 1.00 10.00 C ATOM 800 OH TYR A 54 -15.636 20.072 2.499 1.00 10.00 O ATOM 0 H TYR A 54 -20.137 24.028 -2.228 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.568 23.229 -3.274 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.225 24.418 -1.441 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.820 24.101 -0.789 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -15.602 22.341 -1.449 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -18.985 22.864 1.161 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -14.621 20.713 0.140 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -17.979 21.287 2.795 1.00 10.00 H new ATOM 0 HH TYR A 54 -16.218 19.986 3.283 1.00 10.00 H new ATOM 843 N TYR A 57 -18.465 20.826 -6.317 1.00 10.00 N ATOM 844 CA TYR A 57 -17.081 20.811 -6.765 1.00 10.00 C ATOM 845 C TYR A 57 -16.534 19.376 -6.605 1.00 10.00 C ATOM 846 O TYR A 57 -15.923 18.817 -7.512 1.00 10.00 O ATOM 847 CB TYR A 57 -16.247 21.886 -6.043 1.00 10.00 C ATOM 848 CG TYR A 57 -14.791 21.494 -6.029 1.00 10.00 C ATOM 849 CD1 TYR A 57 -13.950 21.810 -7.112 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.372 20.583 -5.046 1.00 10.00 C ATOM 851 CE1 TYR A 57 -12.693 21.186 -7.219 1.00 10.00 C ATOM 852 CE2 TYR A 57 -13.143 19.923 -5.172 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.299 20.233 -6.255 1.00 10.00 C ATOM 854 OH TYR A 57 -11.105 19.608 -6.373 1.00 10.00 O ATOM 0 HA TYR A 57 -17.014 21.076 -7.820 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.368 22.847 -6.543 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.607 22.011 -5.022 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.267 22.526 -7.856 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -15.000 20.390 -4.189 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.032 21.435 -8.036 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.845 19.182 -4.444 1.00 10.00 H new ATOM 0 HH TYR A 57 -11.025 18.922 -5.678 1.00 10.00 H new ATOM 864 N ARG A 58 -16.850 18.752 -5.462 1.00 10.00 N ATOM 865 CA ARG A 58 -16.560 17.363 -5.092 1.00 10.00 C ATOM 866 C ARG A 58 -17.217 16.371 -6.058 1.00 10.00 C ATOM 867 O ARG A 58 -16.575 15.427 -6.517 1.00 10.00 O ATOM 868 CB ARG A 58 -17.085 17.166 -3.648 1.00 10.00 C ATOM 869 CG ARG A 58 -16.115 16.680 -2.573 1.00 10.00 C ATOM 870 CD ARG A 58 -15.254 17.838 -2.043 1.00 10.00 C ATOM 871 NE ARG A 58 -14.553 17.479 -0.794 1.00 10.00 N ATOM 872 CZ ARG A 58 -15.075 17.404 0.421 1.00 10.00 C ATOM 873 NH1 ARG A 58 -16.348 17.553 0.660 1.00 10.00 N ATOM 874 NH2 ARG A 58 -14.307 17.166 1.446 1.00 10.00 N ATOM 0 H ARG A 58 -17.351 19.241 -4.720 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.488 17.171 -5.147 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.498 18.118 -3.314 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -17.912 16.457 -3.691 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.673 16.231 -1.751 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.471 15.902 -2.984 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.523 18.122 -2.800 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.886 18.709 -1.867 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.559 17.266 -0.876 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -16.993 17.737 -0.108 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -16.699 17.486 1.615 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -13.304 17.037 1.313 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -14.709 17.108 2.382 1.00 10.00 H new ATOM 888 N ASN A 59 -18.483 16.620 -6.403 1.00 10.00 N ATOM 889 CA ASN A 59 -19.275 15.833 -7.348 1.00 10.00 C ATOM 890 C ASN A 59 -18.713 15.910 -8.776 1.00 10.00 C ATOM 891 O ASN A 59 -18.546 14.901 -9.458 1.00 10.00 O ATOM 892 CB ASN A 59 -20.739 16.310 -7.315 1.00 10.00 C ATOM 893 CG ASN A 59 -21.657 15.352 -8.058 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.887 15.474 -9.252 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.201 14.363 -7.383 1.00 10.00 N ATOM 0 H ASN A 59 -19.004 17.407 -6.015 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.224 14.788 -7.043 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.069 16.402 -6.280 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.809 17.302 -7.761 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -22.814 13.699 -7.856 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.010 14.260 -6.386 1.00 10.00 H new ATOM 902 N ALA A 60 -18.363 17.123 -9.198 1.00 10.00 N ATOM 903 CA ALA A 60 -17.707 17.447 -10.447 1.00 10.00 C ATOM 904 C ALA A 60 -16.327 16.783 -10.519 1.00 10.00 C ATOM 905 O ALA A 60 -16.005 16.172 -11.533 1.00 10.00 O ATOM 906 CB ALA A 60 -17.672 18.976 -10.575 1.00 10.00 C ATOM 0 H ALA A 60 -18.545 17.954 -8.635 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.255 17.051 -11.302 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -17.182 19.252 -11.509 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.690 19.365 -10.571 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -17.119 19.399 -9.736 1.00 10.00 H new ATOM 912 N GLN A 61 -15.582 16.751 -9.405 1.00 10.00 N ATOM 913 CA GLN A 61 -14.348 15.980 -9.201 1.00 10.00 C ATOM 914 C GLN A 61 -14.580 14.473 -8.944 1.00 10.00 C ATOM 915 O GLN A 61 -13.795 13.762 -8.319 1.00 10.00 O ATOM 916 CB GLN A 61 -13.464 16.636 -8.152 1.00 10.00 C ATOM 917 CG GLN A 61 -11.977 16.268 -8.378 1.00 10.00 C ATOM 918 CD GLN A 61 -11.247 17.181 -9.364 1.00 10.00 C ATOM 919 OE1 GLN A 61 -10.867 16.780 -10.455 1.00 10.00 O ATOM 920 NE2 GLN A 61 -10.992 18.428 -9.035 1.00 10.00 N ATOM 0 H GLN A 61 -15.838 17.291 -8.578 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.809 16.004 -10.148 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.586 17.718 -8.193 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.775 16.317 -7.157 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.458 16.298 -7.420 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.920 15.242 -8.740 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -11.297 18.790 -8.131 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -10.489 19.034 -9.683 1.00 10.00 H new ATOM 929 N SER A 62 -15.707 14.001 -9.453 1.00 10.00 N ATOM 930 CA SER A 62 -16.144 12.618 -9.601 1.00 10.00 C ATOM 931 C SER A 62 -16.969 12.457 -10.891 1.00 10.00 C ATOM 932 O SER A 62 -17.744 11.515 -11.047 1.00 10.00 O ATOM 933 CB SER A 62 -16.911 12.191 -8.355 1.00 10.00 C ATOM 934 OG SER A 62 -16.969 10.774 -8.256 1.00 10.00 O ATOM 0 H SER A 62 -16.414 14.644 -9.811 1.00 10.00 H new ATOM 0 HA SER A 62 -15.281 11.959 -9.696 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.429 12.602 -7.468 1.00 10.00 H new ATOM 0 HB3 SER A 62 -17.921 12.599 -8.387 1.00 10.00 H new ATOM 0 HG SER A 62 -17.464 10.522 -7.449 1.00 10.00 H new ATOM 940 N ASN A 63 -16.773 13.388 -11.835 1.00 10.00 N ATOM 941 CA ASN A 63 -17.367 13.454 -13.161 1.00 10.00 C ATOM 942 C ASN A 63 -16.289 13.710 -14.213 1.00 10.00 C ATOM 943 O ASN A 63 -16.124 12.949 -15.156 1.00 10.00 O ATOM 944 CB ASN A 63 -18.440 14.558 -13.137 1.00 10.00 C ATOM 945 CG ASN A 63 -19.596 14.286 -14.083 1.00 10.00 C ATOM 946 OD1 ASN A 63 -19.418 13.956 -15.247 1.00 10.00 O ATOM 947 ND2 ASN A 63 -20.820 14.417 -13.621 1.00 10.00 N ATOM 0 H ASN A 63 -16.143 14.173 -11.669 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.837 12.508 -13.430 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.825 14.660 -12.122 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.979 15.510 -13.400 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -21.617 14.244 -14.233 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.972 14.692 -12.651 1.00 10.00 H new ATOM 954 N THR A 64 -15.450 14.709 -13.960 1.00 10.00 N ATOM 955 CA THR A 64 -14.207 15.020 -14.681 1.00 10.00 C ATOM 956 C THR A 64 -13.275 13.812 -14.827 1.00 10.00 C ATOM 957 O THR A 64 -12.795 13.464 -15.899 1.00 10.00 O ATOM 958 CB THR A 64 -13.544 16.177 -13.944 1.00 10.00 C ATOM 959 OG1 THR A 64 -12.466 16.719 -14.657 1.00 10.00 O ATOM 960 CG2 THR A 64 -13.116 15.796 -12.534 1.00 10.00 C ATOM 0 H THR A 64 -15.625 15.367 -13.201 1.00 10.00 H new ATOM 0 HA THR A 64 -14.438 15.301 -15.708 1.00 10.00 H new ATOM 0 HB THR A 64 -14.308 16.950 -13.862 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.736 16.066 -14.692 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.649 16.654 -12.051 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.989 15.487 -11.960 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.403 14.973 -12.580 1.00 10.00 H new ATOM 968 N VAL A 65 -13.192 13.056 -13.741 1.00 10.00 N ATOM 969 CA VAL A 65 -12.568 11.747 -13.525 1.00 10.00 C ATOM 970 C VAL A 65 -13.001 10.674 -14.539 1.00 10.00 C ATOM 971 O VAL A 65 -12.266 9.732 -14.831 1.00 10.00 O ATOM 972 CB VAL A 65 -12.968 11.307 -12.097 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.000 10.278 -11.523 1.00 10.00 C ATOM 974 CG2 VAL A 65 -13.023 12.456 -11.091 1.00 10.00 C ATOM 0 H VAL A 65 -13.615 13.386 -12.874 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.490 11.846 -13.655 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.965 10.887 -12.227 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.320 9.998 -10.519 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -11.989 9.394 -12.160 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -10.998 10.706 -11.479 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.310 12.070 -10.113 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -12.042 12.926 -11.022 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.756 13.193 -11.420 1.00 10.00 H new ATOM 984 N LYS A 66 -14.201 10.854 -15.097 1.00 10.00 N ATOM 985 CA LYS A 66 -14.967 9.998 -15.997 1.00 10.00 C ATOM 986 C LYS A 66 -15.289 10.714 -17.326 1.00 10.00 C ATOM 987 O LYS A 66 -16.069 10.229 -18.143 1.00 10.00 O ATOM 988 CB LYS A 66 -16.237 9.600 -15.230 1.00 10.00 C ATOM 989 CG LYS A 66 -15.972 8.685 -14.017 1.00 10.00 C ATOM 990 CD LYS A 66 -17.080 8.879 -12.976 1.00 10.00 C ATOM 991 CE LYS A 66 -16.730 8.225 -11.634 1.00 10.00 C ATOM 992 NZ LYS A 66 -17.673 8.653 -10.568 1.00 10.00 N ATOM 0 H LYS A 66 -14.719 11.711 -14.902 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.397 9.114 -16.282 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.742 10.504 -14.888 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -16.919 9.093 -15.913 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -15.936 7.643 -14.335 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.002 8.918 -13.578 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -17.253 9.945 -12.825 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -18.010 8.455 -13.354 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -16.760 7.140 -11.736 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -15.711 8.491 -11.351 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -17.286 8.395 -9.638 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -17.805 9.684 -10.615 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -18.589 8.180 -10.705 1.00 10.00 H new ATOM 1006 N VAL A 67 -14.626 11.850 -17.550 1.00 10.00 N ATOM 1007 CA VAL A 67 -14.600 12.712 -18.729 1.00 10.00 C ATOM 1008 C VAL A 67 -13.213 12.730 -19.339 1.00 10.00 C ATOM 1009 O VAL A 67 -13.077 12.779 -20.554 1.00 10.00 O ATOM 1010 CB VAL A 67 -15.036 14.110 -18.306 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -14.563 15.244 -19.202 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -16.543 14.087 -18.150 1.00 10.00 C ATOM 0 H VAL A 67 -14.023 12.231 -16.821 1.00 10.00 H new ATOM 0 HA VAL A 67 -15.282 12.334 -19.490 1.00 10.00 H new ATOM 0 HB VAL A 67 -14.544 14.341 -17.361 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -14.928 16.193 -18.811 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -13.473 15.257 -19.227 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -14.948 15.095 -20.211 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -16.893 15.074 -17.847 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -17.003 13.815 -19.100 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -16.819 13.355 -17.391 1.00 10.00 H new ATOM 1022 N PHE A 68 -12.176 12.609 -18.514 1.00 10.00 N ATOM 1023 CA PHE A 68 -10.810 12.349 -18.949 1.00 10.00 C ATOM 1024 C PHE A 68 -10.823 11.064 -19.815 1.00 10.00 C ATOM 1025 O PHE A 68 -10.148 10.955 -20.836 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.956 12.183 -17.684 1.00 10.00 C ATOM 1027 CG PHE A 68 -9.756 13.380 -16.762 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -10.145 14.690 -17.115 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.209 13.146 -15.484 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -10.012 15.739 -16.187 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -9.064 14.197 -14.563 1.00 10.00 C ATOM 1032 CZ PHE A 68 -9.468 15.495 -14.915 1.00 10.00 C ATOM 0 H PHE A 68 -12.266 12.691 -17.501 1.00 10.00 H new ATOM 0 HA PHE A 68 -10.395 13.158 -19.550 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -10.399 11.382 -17.092 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.969 11.840 -17.996 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -10.545 14.887 -18.099 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -8.898 12.149 -15.210 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -10.330 16.736 -16.454 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -8.643 14.007 -13.587 1.00 10.00 H new ATOM 0 HZ PHE A 68 -9.361 16.305 -14.209 1.00 10.00 H new