USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 19 ASN : amide:sc= -2.16 K(o=-2.2,f=-2.7!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0227) USER MOD Single : A 17 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.48) USER MOD Single : A 25 GLN : amide:sc= -0.0766 X(o=-0.077,f=0) USER MOD Single : A 30 THR OG1 : rot -20:sc= 0.676 USER MOD Single : A 31 GLN : amide:sc= -0.244 K(o=-0.24,f=-3.3!) USER MOD Single : A 36 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.3) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 40:sc= -0.564 USER MOD Single : A 60 GLN : amide:sc= -0.96 K(o=-0.96,f=-3.7!) USER MOD Single : A 61 CYS SG : rot 1:sc= -0.563 USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= -1.52 (180deg=-1.62) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.848 -3.107 1.136 1.00 0.00 N ATOM 69 CA PHE A 8 7.293 -2.038 1.958 1.00 0.00 C ATOM 70 C PHE A 8 6.614 -2.604 3.201 1.00 0.00 C ATOM 71 O PHE A 8 6.632 -3.813 3.434 1.00 0.00 O ATOM 72 CB PHE A 8 6.293 -1.211 1.149 1.00 0.00 C ATOM 73 CG PHE A 8 6.895 -0.560 -0.065 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.144 -1.298 -1.211 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.210 0.789 -0.060 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.695 -0.704 -2.328 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.762 1.390 -1.175 1.00 0.00 C ATOM 78 CZ PHE A 8 8.006 0.642 -2.311 1.00 0.00 C ATOM 0 HA PHE A 8 8.114 -1.395 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.471 -1.855 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.868 -0.440 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.904 -2.351 -1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.022 1.378 0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.883 -1.291 -3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.002 2.443 -1.159 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.439 1.109 -3.184 1.00 0.00 H new ATOM 88 N ARG A 9 6.017 -1.723 3.996 1.00 0.00 N ATOM 89 CA ARG A 9 5.331 -2.135 5.214 1.00 0.00 C ATOM 90 C ARG A 9 3.982 -1.434 5.343 1.00 0.00 C ATOM 91 O ARG A 9 3.651 -0.553 4.550 1.00 0.00 O ATOM 92 CB ARG A 9 6.199 -1.833 6.439 1.00 0.00 C ATOM 93 CG ARG A 9 6.861 -3.066 7.034 1.00 0.00 C ATOM 94 CD ARG A 9 6.755 -3.082 8.551 1.00 0.00 C ATOM 95 NE ARG A 9 7.955 -3.630 9.178 1.00 0.00 N ATOM 96 CZ ARG A 9 8.003 -4.058 10.438 1.00 0.00 C ATOM 97 NH1 ARG A 9 6.922 -4.002 11.206 1.00 0.00 N ATOM 98 NH2 ARG A 9 9.134 -4.542 10.931 1.00 0.00 N ATOM 0 H ARG A 9 5.994 -0.719 3.818 1.00 0.00 H new ATOM 0 HA ARG A 9 5.156 -3.209 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.971 -1.116 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.583 -1.357 7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.394 -3.963 6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.911 -3.093 6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.588 -2.068 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.889 -3.673 8.848 1.00 0.00 H new ATOM 0 HE ARG A 9 8.806 -3.688 8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.049 -3.630 10.832 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.964 -4.331 12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.968 -4.587 10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.171 -4.870 11.896 1.00 0.00 H new ATOM 112 N VAL A 10 3.209 -1.831 6.348 1.00 0.00 N ATOM 113 CA VAL A 10 1.897 -1.241 6.581 1.00 0.00 C ATOM 114 C VAL A 10 2.019 0.110 7.280 1.00 0.00 C ATOM 115 O VAL A 10 2.312 0.178 8.474 1.00 0.00 O ATOM 116 CB VAL A 10 1.007 -2.166 7.432 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.415 -1.631 7.495 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.027 -3.583 6.879 1.00 0.00 C ATOM 0 H VAL A 10 3.469 -2.559 7.014 1.00 0.00 H new ATOM 0 HA VAL A 10 1.435 -1.103 5.604 1.00 0.00 H new ATOM 0 HB VAL A 10 1.406 -2.190 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.028 -2.298 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.410 -0.637 7.942 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.827 -1.574 6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.393 -4.222 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.655 -3.579 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.048 -3.965 6.893 1.00 0.00 H new ATOM 128 N GLY A 11 1.793 1.182 6.528 1.00 0.00 N ATOM 129 CA GLY A 11 1.884 2.516 7.091 1.00 0.00 C ATOM 130 C GLY A 11 2.803 3.422 6.297 1.00 0.00 C ATOM 131 O GLY A 11 2.672 4.645 6.343 1.00 0.00 O ATOM 0 H GLY A 11 1.548 1.151 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.889 2.959 7.130 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.244 2.449 8.118 1.00 0.00 H new ATOM 135 N GLU A 12 3.738 2.822 5.564 1.00 0.00 N ATOM 136 CA GLU A 12 4.682 3.585 4.757 1.00 0.00 C ATOM 137 C GLU A 12 4.011 4.121 3.496 1.00 0.00 C ATOM 138 O GLU A 12 3.320 3.388 2.789 1.00 0.00 O ATOM 139 CB GLU A 12 5.881 2.713 4.378 1.00 0.00 C ATOM 140 CG GLU A 12 6.610 2.127 5.576 1.00 0.00 C ATOM 141 CD GLU A 12 7.756 3.000 6.045 1.00 0.00 C ATOM 142 OE1 GLU A 12 7.491 4.008 6.735 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.919 2.678 5.724 1.00 0.00 O ATOM 0 H GLU A 12 3.861 1.811 5.513 1.00 0.00 H new ATOM 0 HA GLU A 12 5.029 4.431 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.540 1.900 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.582 3.308 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.904 1.990 6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.993 1.140 5.317 1.00 0.00 H new ATOM 150 N ARG A 13 4.220 5.405 3.223 1.00 0.00 N ATOM 151 CA ARG A 13 3.635 6.040 2.047 1.00 0.00 C ATOM 152 C ARG A 13 4.268 5.501 0.767 1.00 0.00 C ATOM 153 O ARG A 13 5.467 5.658 0.542 1.00 0.00 O ATOM 154 CB ARG A 13 3.811 7.558 2.122 1.00 0.00 C ATOM 155 CG ARG A 13 2.501 8.323 2.031 1.00 0.00 C ATOM 156 CD ARG A 13 2.606 9.500 1.074 1.00 0.00 C ATOM 157 NE ARG A 13 3.339 10.619 1.662 1.00 0.00 N ATOM 158 CZ ARG A 13 3.249 11.874 1.230 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.463 12.177 0.205 1.00 0.00 N ATOM 160 NH2 ARG A 13 3.949 12.831 1.825 1.00 0.00 N ATOM 0 H ARG A 13 4.789 6.025 3.799 1.00 0.00 H new ATOM 0 HA ARG A 13 2.570 5.807 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.308 7.813 3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.468 7.880 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.709 7.652 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.219 8.682 3.021 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.105 9.180 0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.606 9.829 0.793 1.00 0.00 H new ATOM 0 HE ARG A 13 3.956 10.426 2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.923 11.446 -0.257 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.399 13.141 -0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.556 12.604 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.881 13.794 1.494 1.00 0.00 H new ATOM 174 N VAL A 14 3.451 4.866 -0.067 1.00 0.00 N ATOM 175 CA VAL A 14 3.930 4.305 -1.324 1.00 0.00 C ATOM 176 C VAL A 14 3.485 5.154 -2.510 1.00 0.00 C ATOM 177 O VAL A 14 2.383 5.703 -2.515 1.00 0.00 O ATOM 178 CB VAL A 14 3.429 2.862 -1.524 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.096 1.922 -0.531 1.00 0.00 C ATOM 180 CG2 VAL A 14 1.914 2.800 -1.392 1.00 0.00 C ATOM 0 H VAL A 14 2.455 4.727 0.105 1.00 0.00 H new ATOM 0 HA VAL A 14 5.019 4.299 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 14 3.697 2.540 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.729 0.908 -0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.176 1.944 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.861 2.240 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.578 1.773 -1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.621 3.142 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.457 3.441 -2.146 1.00 0.00 H new ATOM 190 N TRP A 15 4.349 5.257 -3.514 1.00 0.00 N ATOM 191 CA TRP A 15 4.047 6.040 -4.707 1.00 0.00 C ATOM 192 C TRP A 15 3.730 5.128 -5.889 1.00 0.00 C ATOM 193 O TRP A 15 4.634 4.594 -6.533 1.00 0.00 O ATOM 194 CB TRP A 15 5.224 6.956 -5.050 1.00 0.00 C ATOM 195 CG TRP A 15 4.920 8.412 -4.863 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.608 9.315 -5.837 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.901 9.132 -3.625 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.396 10.554 -5.281 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.570 10.467 -3.925 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.132 8.779 -2.291 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.465 11.448 -2.941 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.027 9.753 -1.316 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.696 11.074 -1.645 1.00 0.00 C ATOM 0 H TRP A 15 5.265 4.808 -3.526 1.00 0.00 H new ATOM 0 HA TRP A 15 3.169 6.652 -4.501 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.077 6.688 -4.427 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.519 6.784 -6.085 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.538 9.089 -6.891 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.149 11.400 -5.794 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.388 7.763 -2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.210 12.467 -3.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.203 9.491 -0.283 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.622 11.812 -0.860 1.00 0.00 H new ATOM 214 N VAL A 16 2.442 4.956 -6.169 1.00 0.00 N ATOM 215 CA VAL A 16 2.009 4.110 -7.275 1.00 0.00 C ATOM 216 C VAL A 16 2.286 4.778 -8.618 1.00 0.00 C ATOM 217 O VAL A 16 2.074 5.979 -8.781 1.00 0.00 O ATOM 218 CB VAL A 16 0.507 3.783 -7.179 1.00 0.00 C ATOM 219 CG1 VAL A 16 0.119 2.738 -8.213 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.152 3.313 -5.776 1.00 0.00 C ATOM 0 H VAL A 16 1.681 5.390 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 16 2.580 3.184 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.057 4.692 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.946 2.521 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.334 3.117 -9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.690 1.826 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.913 3.087 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.725 2.417 -5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.389 4.098 -5.058 1.00 0.00 H new ATOM 230 N ASN A 17 2.764 3.991 -9.578 1.00 0.00 N ATOM 231 CA ASN A 17 3.071 4.507 -10.908 1.00 0.00 C ATOM 232 C ASN A 17 4.028 5.695 -10.830 1.00 0.00 C ATOM 233 O ASN A 17 4.073 6.529 -11.734 1.00 0.00 O ATOM 234 CB ASN A 17 1.785 4.920 -11.625 1.00 0.00 C ATOM 235 CG ASN A 17 1.304 3.867 -12.605 1.00 0.00 C ATOM 236 OD1 ASN A 17 1.524 2.672 -12.405 1.00 0.00 O ATOM 237 ND2 ASN A 17 0.645 4.306 -13.670 1.00 0.00 N ATOM 0 H ASN A 17 2.947 2.995 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 17 3.557 3.712 -11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.005 5.108 -10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.954 5.857 -12.156 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.298 3.644 -14.364 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.486 5.306 -13.795 1.00 0.00 H new ATOM 244 N GLY A 18 4.794 5.766 -9.743 1.00 0.00 N ATOM 245 CA GLY A 18 5.738 6.854 -9.570 1.00 0.00 C ATOM 246 C GLY A 18 5.076 8.217 -9.636 1.00 0.00 C ATOM 247 O GLY A 18 5.675 9.182 -10.114 1.00 0.00 O ATOM 0 H GLY A 18 4.776 5.089 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.241 6.745 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.506 6.790 -10.341 1.00 0.00 H new ATOM 251 N ASN A 19 3.840 8.301 -9.155 1.00 0.00 N ATOM 252 CA ASN A 19 3.100 9.558 -9.164 1.00 0.00 C ATOM 253 C ASN A 19 1.734 9.397 -8.501 1.00 0.00 C ATOM 254 O ASN A 19 0.729 9.906 -8.998 1.00 0.00 O ATOM 255 CB ASN A 19 2.929 10.062 -10.598 1.00 0.00 C ATOM 256 CG ASN A 19 2.228 9.053 -11.487 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.114 8.618 -11.193 1.00 0.00 O ATOM 258 ND2 ASN A 19 2.879 8.674 -12.580 1.00 0.00 N ATOM 0 H ASN A 19 3.330 7.514 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 19 3.673 10.290 -8.594 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.359 10.991 -10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.908 10.293 -11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.458 7.996 -13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.801 9.060 -12.785 1.00 0.00 H new ATOM 265 N LYS A 20 1.705 8.690 -7.376 1.00 0.00 N ATOM 266 CA LYS A 20 0.462 8.466 -6.647 1.00 0.00 C ATOM 267 C LYS A 20 0.743 8.016 -5.215 1.00 0.00 C ATOM 268 O LYS A 20 0.860 6.820 -4.944 1.00 0.00 O ATOM 269 CB LYS A 20 -0.394 7.420 -7.362 1.00 0.00 C ATOM 270 CG LYS A 20 -1.157 7.971 -8.556 1.00 0.00 C ATOM 271 CD LYS A 20 -2.312 7.062 -8.946 1.00 0.00 C ATOM 272 CE LYS A 20 -3.017 7.564 -10.197 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.204 7.331 -11.423 1.00 0.00 N ATOM 0 H LYS A 20 2.527 8.263 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.083 9.409 -6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.247 6.605 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.104 6.996 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.538 8.964 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.479 8.083 -9.402 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.940 6.052 -9.117 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.025 7.004 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.979 7.061 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.223 8.629 -10.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.753 7.609 -12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.334 7.898 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.957 6.323 -11.489 1.00 0.00 H new ATOM 287 N PRO A 21 0.854 8.970 -4.274 1.00 0.00 N ATOM 288 CA PRO A 21 1.119 8.661 -2.864 1.00 0.00 C ATOM 289 C PRO A 21 -0.056 7.960 -2.196 1.00 0.00 C ATOM 290 O PRO A 21 -1.204 8.112 -2.615 1.00 0.00 O ATOM 291 CB PRO A 21 1.350 10.037 -2.233 1.00 0.00 C ATOM 292 CG PRO A 21 0.626 10.989 -3.120 1.00 0.00 C ATOM 293 CD PRO A 21 0.727 10.420 -4.508 1.00 0.00 C ATOM 0 HA PRO A 21 1.961 7.979 -2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.965 10.075 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.412 10.275 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.415 11.091 -2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.071 11.983 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.155 10.655 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.589 10.818 -5.044 1.00 0.00 H new ATOM 301 N GLY A 22 0.236 7.189 -1.152 1.00 0.00 N ATOM 302 CA GLY A 22 -0.807 6.476 -0.442 1.00 0.00 C ATOM 303 C GLY A 22 -0.267 5.649 0.708 1.00 0.00 C ATOM 304 O GLY A 22 0.790 5.029 0.591 1.00 0.00 O ATOM 0 H GLY A 22 1.177 7.046 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.536 7.191 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.335 5.824 -1.138 1.00 0.00 H new ATOM 308 N PHE A 23 -0.991 5.643 1.821 1.00 0.00 N ATOM 309 CA PHE A 23 -0.579 4.887 2.997 1.00 0.00 C ATOM 310 C PHE A 23 -1.107 3.457 2.939 1.00 0.00 C ATOM 311 O PHE A 23 -2.301 3.233 2.745 1.00 0.00 O ATOM 312 CB PHE A 23 -1.074 5.575 4.270 1.00 0.00 C ATOM 313 CG PHE A 23 -0.467 6.930 4.495 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.749 7.060 5.148 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.111 8.075 4.052 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.310 8.305 5.356 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.554 9.323 4.257 1.00 0.00 C ATOM 318 CZ PHE A 23 0.658 9.438 4.910 1.00 0.00 C ATOM 0 H PHE A 23 -1.867 6.154 1.934 1.00 0.00 H new ATOM 0 HA PHE A 23 0.510 4.851 3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.158 5.675 4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.851 4.939 5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.264 6.177 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.059 7.991 3.541 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.258 8.392 5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.066 10.207 3.907 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.095 10.412 5.071 1.00 0.00 H new ATOM 328 N ILE A 24 -0.208 2.493 3.107 1.00 0.00 N ATOM 329 CA ILE A 24 -0.583 1.084 3.074 1.00 0.00 C ATOM 330 C ILE A 24 -1.320 0.684 4.348 1.00 0.00 C ATOM 331 O ILE A 24 -0.791 0.815 5.452 1.00 0.00 O ATOM 332 CB ILE A 24 0.651 0.178 2.901 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.506 0.661 1.729 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.223 -1.267 2.690 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.847 -0.033 1.633 1.00 0.00 C ATOM 0 H ILE A 24 0.785 2.662 3.267 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.244 0.951 2.217 1.00 0.00 H new ATOM 0 HB ILE A 24 1.251 0.230 3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.957 0.504 0.800 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.668 1.735 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.106 -1.894 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.348 -1.607 3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.396 -1.336 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.399 0.359 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.415 0.145 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.694 -1.105 1.505 1.00 0.00 H new ATOM 347 N GLN A 25 -2.546 0.195 4.186 1.00 0.00 N ATOM 348 CA GLN A 25 -3.357 -0.225 5.324 1.00 0.00 C ATOM 349 C GLN A 25 -3.378 -1.745 5.447 1.00 0.00 C ATOM 350 O GLN A 25 -3.411 -2.287 6.552 1.00 0.00 O ATOM 351 CB GLN A 25 -4.785 0.307 5.183 1.00 0.00 C ATOM 352 CG GLN A 25 -4.883 1.820 5.283 1.00 0.00 C ATOM 353 CD GLN A 25 -4.916 2.309 6.718 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.984 2.565 7.274 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.742 2.439 7.326 1.00 0.00 N ATOM 0 H GLN A 25 -2.999 0.080 3.279 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.910 0.188 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.190 -0.012 4.223 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.409 -0.141 5.956 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.034 2.270 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.782 2.157 4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.881 2.215 6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.701 2.763 8.292 1.00 0.00 H new ATOM 364 N PHE A 26 -3.359 -2.427 4.306 1.00 0.00 N ATOM 365 CA PHE A 26 -3.377 -3.885 4.288 1.00 0.00 C ATOM 366 C PHE A 26 -2.182 -4.435 3.516 1.00 0.00 C ATOM 367 O PHE A 26 -1.597 -3.744 2.681 1.00 0.00 O ATOM 368 CB PHE A 26 -4.678 -4.392 3.665 1.00 0.00 C ATOM 369 CG PHE A 26 -5.073 -5.763 4.132 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.605 -5.952 5.398 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.911 -6.865 3.306 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.968 -7.212 5.831 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.273 -8.128 3.734 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.802 -8.302 4.998 1.00 0.00 C ATOM 0 H PHE A 26 -3.331 -1.994 3.383 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.314 -4.237 5.318 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.480 -3.692 3.899 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.572 -4.403 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.737 -5.104 6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.497 -6.735 2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.381 -7.345 6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.142 -8.978 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.085 -9.288 5.335 1.00 0.00 H new ATOM 384 N LEU A 27 -1.824 -5.683 3.799 1.00 0.00 N ATOM 385 CA LEU A 27 -0.700 -6.328 3.130 1.00 0.00 C ATOM 386 C LEU A 27 -0.852 -7.845 3.151 1.00 0.00 C ATOM 387 O LEU A 27 -0.849 -8.466 4.214 1.00 0.00 O ATOM 388 CB LEU A 27 0.617 -5.924 3.799 1.00 0.00 C ATOM 389 CG LEU A 27 1.382 -4.802 3.095 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.664 -4.477 3.846 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.690 -5.191 1.656 1.00 0.00 C ATOM 0 H LEU A 27 -2.296 -6.268 4.488 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.688 -5.998 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.407 -5.613 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.261 -6.801 3.858 1.00 0.00 H new ATOM 0 HG LEU A 27 0.755 -3.910 3.085 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.195 -3.677 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.421 -4.157 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.296 -5.364 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.235 -4.382 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.298 -6.095 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.758 -5.374 1.121 1.00 0.00 H new ATOM 403 N GLY A 28 -0.986 -8.437 1.969 1.00 0.00 N ATOM 404 CA GLY A 28 -1.138 -9.878 1.874 1.00 0.00 C ATOM 405 C GLY A 28 -2.124 -10.287 0.798 1.00 0.00 C ATOM 406 O GLY A 28 -2.772 -9.439 0.185 1.00 0.00 O ATOM 0 H GLY A 28 -0.992 -7.945 1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.168 -10.330 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.471 -10.269 2.835 1.00 0.00 H new ATOM 410 N GLU A 29 -2.238 -11.591 0.567 1.00 0.00 N ATOM 411 CA GLU A 29 -3.152 -12.112 -0.442 1.00 0.00 C ATOM 412 C GLU A 29 -4.594 -11.726 -0.122 1.00 0.00 C ATOM 413 O GLU A 29 -4.948 -11.518 1.039 1.00 0.00 O ATOM 414 CB GLU A 29 -3.029 -13.634 -0.538 1.00 0.00 C ATOM 415 CG GLU A 29 -3.124 -14.338 0.807 1.00 0.00 C ATOM 416 CD GLU A 29 -4.433 -15.084 0.982 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.478 -14.420 1.149 1.00 0.00 O ATOM 418 OE2 GLU A 29 -4.414 -16.333 0.952 1.00 0.00 O ATOM 0 H GLU A 29 -1.708 -12.306 1.065 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.881 -11.672 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.813 -14.013 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.076 -13.885 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.295 -15.038 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.019 -13.604 1.606 1.00 0.00 H new ATOM 425 N THR A 30 -5.420 -11.635 -1.158 1.00 0.00 N ATOM 426 CA THR A 30 -6.823 -11.274 -0.989 1.00 0.00 C ATOM 427 C THR A 30 -7.733 -12.448 -1.334 1.00 0.00 C ATOM 428 O THR A 30 -7.266 -13.569 -1.540 1.00 0.00 O ATOM 429 CB THR A 30 -7.171 -10.069 -1.865 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.202 -10.437 -3.232 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.196 -8.922 -1.719 1.00 0.00 C ATOM 0 H THR A 30 -5.142 -11.806 -2.124 1.00 0.00 H new ATOM 0 HA THR A 30 -6.980 -11.011 0.057 1.00 0.00 H new ATOM 0 HB THR A 30 -8.151 -9.736 -1.524 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.694 -11.265 -3.359 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.501 -8.100 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.186 -8.583 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.197 -9.255 -2.001 1.00 0.00 H new ATOM 439 N GLN A 31 -9.034 -12.183 -1.396 1.00 0.00 N ATOM 440 CA GLN A 31 -10.010 -13.217 -1.716 1.00 0.00 C ATOM 441 C GLN A 31 -10.560 -13.031 -3.127 1.00 0.00 C ATOM 442 O GLN A 31 -10.926 -13.999 -3.794 1.00 0.00 O ATOM 443 CB GLN A 31 -11.157 -13.197 -0.703 1.00 0.00 C ATOM 444 CG GLN A 31 -10.795 -13.813 0.638 1.00 0.00 C ATOM 445 CD GLN A 31 -11.633 -13.267 1.776 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.515 -12.434 1.568 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.361 -13.733 2.989 1.00 0.00 N ATOM 0 H GLN A 31 -9.436 -11.261 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.507 -14.183 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.474 -12.166 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.009 -13.732 -1.121 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.923 -14.894 0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.741 -13.627 0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.621 -14.423 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.892 -13.401 3.794 1.00 0.00 H new ATOM 456 N PHE A 32 -10.615 -11.781 -3.575 1.00 0.00 N ATOM 457 CA PHE A 32 -11.120 -11.469 -4.908 1.00 0.00 C ATOM 458 C PHE A 32 -10.083 -11.801 -5.976 1.00 0.00 C ATOM 459 O PHE A 32 -10.427 -12.226 -7.079 1.00 0.00 O ATOM 460 CB PHE A 32 -11.507 -9.992 -4.997 1.00 0.00 C ATOM 461 CG PHE A 32 -10.385 -9.054 -4.650 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.478 -8.651 -5.617 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.239 -8.577 -3.358 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.446 -7.789 -5.302 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.207 -7.714 -3.036 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.310 -7.320 -4.010 1.00 0.00 C ATOM 0 H PHE A 32 -10.317 -10.968 -3.036 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.005 -12.080 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.851 -9.775 -6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.347 -9.804 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.579 -9.015 -6.629 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.938 -8.882 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.746 -7.482 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.103 -7.349 -2.025 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.503 -6.646 -3.762 1.00 0.00 H new ATOM 476 N ALA A 33 -8.811 -11.603 -5.641 1.00 0.00 N ATOM 477 CA ALA A 33 -7.725 -11.881 -6.572 1.00 0.00 C ATOM 478 C ALA A 33 -6.669 -12.780 -5.932 1.00 0.00 C ATOM 479 O ALA A 33 -6.417 -12.696 -4.730 1.00 0.00 O ATOM 480 CB ALA A 33 -7.094 -10.582 -7.048 1.00 0.00 C ATOM 0 H ALA A 33 -8.509 -11.251 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.141 -12.407 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.284 -10.804 -7.743 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.847 -9.974 -7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.698 -10.035 -6.192 1.00 0.00 H new ATOM 486 N PRO A 34 -6.035 -13.658 -6.730 1.00 0.00 N ATOM 487 CA PRO A 34 -5.004 -14.573 -6.234 1.00 0.00 C ATOM 488 C PRO A 34 -3.682 -13.864 -5.961 1.00 0.00 C ATOM 489 O PRO A 34 -3.557 -12.658 -6.174 1.00 0.00 O ATOM 490 CB PRO A 34 -4.848 -15.575 -7.377 1.00 0.00 C ATOM 491 CG PRO A 34 -5.215 -14.810 -8.599 1.00 0.00 C ATOM 492 CD PRO A 34 -6.274 -13.827 -8.177 1.00 0.00 C ATOM 0 HA PRO A 34 -5.282 -15.028 -5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.827 -15.952 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.499 -16.438 -7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.347 -14.295 -9.011 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.589 -15.475 -9.377 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.180 -12.882 -8.712 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.276 -14.207 -8.376 1.00 0.00 H new ATOM 500 N GLY A 35 -2.696 -14.622 -5.491 1.00 0.00 N ATOM 501 CA GLY A 35 -1.396 -14.048 -5.199 1.00 0.00 C ATOM 502 C GLY A 35 -1.454 -13.007 -4.099 1.00 0.00 C ATOM 503 O GLY A 35 -2.530 -12.687 -3.594 1.00 0.00 O ATOM 0 H GLY A 35 -2.774 -15.622 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.709 -14.842 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.992 -13.594 -6.104 1.00 0.00 H new ATOM 507 N GLN A 36 -0.293 -12.477 -3.727 1.00 0.00 N ATOM 508 CA GLN A 36 -0.216 -11.465 -2.680 1.00 0.00 C ATOM 509 C GLN A 36 -0.492 -10.075 -3.243 1.00 0.00 C ATOM 510 O GLN A 36 -0.106 -9.763 -4.370 1.00 0.00 O ATOM 511 CB GLN A 36 1.162 -11.495 -2.014 1.00 0.00 C ATOM 512 CG GLN A 36 1.562 -12.871 -1.506 1.00 0.00 C ATOM 513 CD GLN A 36 0.760 -13.299 -0.293 1.00 0.00 C ATOM 514 OE1 GLN A 36 0.587 -12.532 0.654 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.264 -14.530 -0.316 1.00 0.00 N ATOM 0 H GLN A 36 0.607 -12.731 -4.135 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.978 -11.691 -1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.909 -11.149 -2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.169 -10.793 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.427 -13.602 -2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.622 -12.867 -1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.432 -15.132 -1.122 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.285 -14.873 0.472 1.00 0.00 H new ATOM 524 N TRP A 37 -1.163 -9.244 -2.452 1.00 0.00 N ATOM 525 CA TRP A 37 -1.490 -7.886 -2.871 1.00 0.00 C ATOM 526 C TRP A 37 -1.052 -6.871 -1.820 1.00 0.00 C ATOM 527 O TRP A 37 -0.500 -7.236 -0.782 1.00 0.00 O ATOM 528 CB TRP A 37 -2.993 -7.758 -3.126 1.00 0.00 C ATOM 529 CG TRP A 37 -3.459 -8.520 -4.328 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.764 -9.850 -4.388 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.674 -7.999 -5.645 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.154 -10.187 -5.661 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.108 -9.068 -6.451 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.542 -6.731 -6.220 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.410 -8.907 -7.801 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.841 -6.574 -7.560 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.272 -7.657 -8.338 1.00 0.00 C ATOM 0 H TRP A 37 -1.491 -9.487 -1.517 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.952 -7.678 -3.796 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.534 -8.112 -2.248 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.244 -6.705 -3.253 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.707 -10.536 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.433 -11.119 -5.969 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.213 -5.890 -5.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.742 -9.740 -8.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.741 -5.600 -8.016 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.500 -7.501 -9.382 1.00 0.00 H new ATOM 548 N ALA A 38 -1.302 -5.595 -2.096 1.00 0.00 N ATOM 549 CA ALA A 38 -0.934 -4.528 -1.174 1.00 0.00 C ATOM 550 C ALA A 38 -1.939 -3.383 -1.230 1.00 0.00 C ATOM 551 O ALA A 38 -1.995 -2.638 -2.208 1.00 0.00 O ATOM 552 CB ALA A 38 0.466 -4.019 -1.490 1.00 0.00 C ATOM 0 H ALA A 38 -1.758 -5.275 -2.951 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.943 -4.935 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.729 -3.222 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.181 -4.836 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.492 -3.634 -2.509 1.00 0.00 H new ATOM 558 N GLY A 39 -2.733 -3.247 -0.172 1.00 0.00 N ATOM 559 CA GLY A 39 -3.726 -2.190 -0.119 1.00 0.00 C ATOM 560 C GLY A 39 -3.112 -0.833 0.163 1.00 0.00 C ATOM 561 O GLY A 39 -2.328 -0.682 1.100 1.00 0.00 O ATOM 0 H GLY A 39 -2.706 -3.851 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.264 -2.153 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.459 -2.422 0.654 1.00 0.00 H new ATOM 565 N ILE A 40 -3.467 0.157 -0.650 1.00 0.00 N ATOM 566 CA ILE A 40 -2.944 1.508 -0.482 1.00 0.00 C ATOM 567 C ILE A 40 -4.075 2.528 -0.406 1.00 0.00 C ATOM 568 O ILE A 40 -5.101 2.383 -1.068 1.00 0.00 O ATOM 569 CB ILE A 40 -1.998 1.891 -1.636 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.952 0.795 -1.858 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.324 3.225 -1.348 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.734 0.455 -3.315 1.00 0.00 C ATOM 0 H ILE A 40 -4.114 0.049 -1.431 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.385 1.518 0.454 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.586 1.992 -2.548 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.005 1.114 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.261 -0.104 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.659 3.482 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.083 4.000 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.747 3.150 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.020 -0.328 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.670 0.105 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.394 1.343 -3.849 1.00 0.00 H new ATOM 584 N VAL A 41 -3.877 3.562 0.406 1.00 0.00 N ATOM 585 CA VAL A 41 -4.879 4.608 0.569 1.00 0.00 C ATOM 586 C VAL A 41 -4.490 5.866 -0.201 1.00 0.00 C ATOM 587 O VAL A 41 -3.668 6.658 0.260 1.00 0.00 O ATOM 588 CB VAL A 41 -5.077 4.969 2.054 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.242 5.933 2.220 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.292 3.713 2.884 1.00 0.00 C ATOM 0 H VAL A 41 -3.032 3.697 0.961 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.814 4.216 0.170 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.174 5.464 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.366 6.176 3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.042 6.846 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.154 5.469 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.430 3.987 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.178 3.188 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.422 3.062 2.791 1.00 0.00 H new ATOM 600 N LEU A 42 -5.085 6.042 -1.377 1.00 0.00 N ATOM 601 CA LEU A 42 -4.799 7.204 -2.210 1.00 0.00 C ATOM 602 C LEU A 42 -5.206 8.493 -1.504 1.00 0.00 C ATOM 603 O LEU A 42 -6.181 8.521 -0.754 1.00 0.00 O ATOM 604 CB LEU A 42 -5.531 7.089 -3.549 1.00 0.00 C ATOM 605 CG LEU A 42 -5.109 5.903 -4.418 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.113 5.678 -5.537 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.716 6.128 -4.986 1.00 0.00 C ATOM 0 H LEU A 42 -5.767 5.396 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.725 7.235 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.601 7.015 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.372 8.008 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.085 5.010 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.796 4.830 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.094 5.472 -5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.169 6.570 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.432 5.275 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.713 7.032 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.003 6.239 -4.169 1.00 0.00 H new ATOM 619 N ASP A 43 -4.451 9.559 -1.750 1.00 0.00 N ATOM 620 CA ASP A 43 -4.733 10.852 -1.138 1.00 0.00 C ATOM 621 C ASP A 43 -6.026 11.444 -1.689 1.00 0.00 C ATOM 622 O ASP A 43 -6.868 11.932 -0.934 1.00 0.00 O ATOM 623 CB ASP A 43 -3.569 11.817 -1.380 1.00 0.00 C ATOM 624 CG ASP A 43 -3.160 12.555 -0.120 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.780 11.885 0.863 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.218 13.803 -0.117 1.00 0.00 O ATOM 0 H ASP A 43 -3.640 9.553 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.854 10.702 -0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.714 11.262 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.852 12.539 -2.145 1.00 0.00 H new ATOM 631 N GLU A 44 -6.179 11.396 -3.008 1.00 0.00 N ATOM 632 CA GLU A 44 -7.370 11.928 -3.660 1.00 0.00 C ATOM 633 C GLU A 44 -8.255 10.797 -4.182 1.00 0.00 C ATOM 634 O GLU A 44 -7.815 9.651 -4.284 1.00 0.00 O ATOM 635 CB GLU A 44 -6.975 12.857 -4.811 1.00 0.00 C ATOM 636 CG GLU A 44 -7.092 14.334 -4.466 1.00 0.00 C ATOM 637 CD GLU A 44 -7.933 15.102 -5.467 1.00 0.00 C ATOM 638 OE1 GLU A 44 -7.447 15.341 -6.592 1.00 0.00 O ATOM 639 OE2 GLU A 44 -9.079 15.464 -5.125 1.00 0.00 O ATOM 0 H GLU A 44 -5.493 10.994 -3.647 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.936 12.497 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.948 12.641 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.606 12.642 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.530 14.438 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.095 14.773 -4.422 1.00 0.00 H new ATOM 646 N PRO A 45 -9.519 11.106 -4.522 1.00 0.00 N ATOM 647 CA PRO A 45 -10.463 10.110 -5.034 1.00 0.00 C ATOM 648 C PRO A 45 -10.152 9.704 -6.471 1.00 0.00 C ATOM 649 O PRO A 45 -10.965 9.905 -7.375 1.00 0.00 O ATOM 650 CB PRO A 45 -11.809 10.833 -4.959 1.00 0.00 C ATOM 651 CG PRO A 45 -11.466 12.277 -5.091 1.00 0.00 C ATOM 652 CD PRO A 45 -10.125 12.449 -4.431 1.00 0.00 C ATOM 0 HA PRO A 45 -10.430 9.181 -4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.478 10.510 -5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.316 10.630 -4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.426 12.574 -6.139 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.219 12.902 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.520 13.198 -4.942 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.226 12.774 -3.395 1.00 0.00 H new ATOM 660 N ILE A 46 -8.971 9.130 -6.676 1.00 0.00 N ATOM 661 CA ILE A 46 -8.554 8.695 -8.004 1.00 0.00 C ATOM 662 C ILE A 46 -8.316 7.189 -8.040 1.00 0.00 C ATOM 663 O ILE A 46 -7.479 6.701 -8.800 1.00 0.00 O ATOM 664 CB ILE A 46 -7.269 9.417 -8.454 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.193 9.311 -7.373 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.565 10.874 -8.775 1.00 0.00 C ATOM 667 CD1 ILE A 46 -4.789 9.528 -7.895 1.00 0.00 C ATOM 0 H ILE A 46 -8.286 8.955 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.364 8.949 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.897 8.935 -9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.399 10.044 -6.593 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.251 8.327 -6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.648 11.371 -9.091 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.302 10.928 -9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.958 11.370 -7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.078 9.438 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.563 8.779 -8.654 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.714 10.523 -8.333 1.00 0.00 H new ATOM 679 N GLY A 47 -9.057 6.458 -7.214 1.00 0.00 N ATOM 680 CA GLY A 47 -8.912 5.015 -7.167 1.00 0.00 C ATOM 681 C GLY A 47 -10.116 4.293 -7.739 1.00 0.00 C ATOM 682 O GLY A 47 -10.807 4.819 -8.612 1.00 0.00 O ATOM 0 H GLY A 47 -9.756 6.839 -6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.020 4.724 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.761 4.701 -6.134 1.00 0.00 H new ATOM 686 N LYS A 48 -10.368 3.084 -7.246 1.00 0.00 N ATOM 687 CA LYS A 48 -11.498 2.288 -7.714 1.00 0.00 C ATOM 688 C LYS A 48 -12.404 1.895 -6.551 1.00 0.00 C ATOM 689 O LYS A 48 -13.627 1.972 -6.652 1.00 0.00 O ATOM 690 CB LYS A 48 -11.000 1.035 -8.435 1.00 0.00 C ATOM 691 CG LYS A 48 -10.219 1.332 -9.705 1.00 0.00 C ATOM 692 CD LYS A 48 -11.065 2.096 -10.712 1.00 0.00 C ATOM 693 CE LYS A 48 -10.366 2.201 -12.059 1.00 0.00 C ATOM 694 NZ LYS A 48 -10.584 3.530 -12.695 1.00 0.00 N ATOM 0 H LYS A 48 -9.806 2.634 -6.523 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.076 2.895 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.368 0.462 -7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.854 0.405 -8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.330 1.913 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.876 0.398 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.025 1.595 -10.837 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.274 3.095 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.297 2.032 -11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.734 1.417 -12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.092 3.562 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.602 3.681 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.210 4.277 -12.075 1.00 0.00 H new ATOM 708 N ASN A 49 -11.793 1.476 -5.448 1.00 0.00 N ATOM 709 CA ASN A 49 -12.543 1.071 -4.265 1.00 0.00 C ATOM 710 C ASN A 49 -12.348 2.068 -3.129 1.00 0.00 C ATOM 711 O ASN A 49 -11.572 3.017 -3.249 1.00 0.00 O ATOM 712 CB ASN A 49 -12.110 -0.326 -3.814 1.00 0.00 C ATOM 713 CG ASN A 49 -12.416 -1.389 -4.850 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.578 -1.697 -5.118 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.372 -1.958 -5.441 1.00 0.00 N ATOM 0 H ASN A 49 -10.780 1.408 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.601 1.049 -4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.040 -0.322 -3.607 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.615 -0.576 -2.881 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.516 -2.680 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.426 -1.673 -5.189 1.00 0.00 H new ATOM 722 N ASP A 50 -13.055 1.848 -2.026 1.00 0.00 N ATOM 723 CA ASP A 50 -12.959 2.729 -0.868 1.00 0.00 C ATOM 724 C ASP A 50 -12.724 1.925 0.408 1.00 0.00 C ATOM 725 O ASP A 50 -13.189 2.301 1.484 1.00 0.00 O ATOM 726 CB ASP A 50 -14.231 3.566 -0.730 1.00 0.00 C ATOM 727 CG ASP A 50 -15.466 2.712 -0.522 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.481 1.913 0.439 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.419 2.841 -1.319 1.00 0.00 O ATOM 0 H ASP A 50 -13.701 1.067 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.110 3.395 -1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.122 4.252 0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.360 4.175 -1.625 1.00 0.00 H new ATOM 734 N GLY A 51 -12.001 0.818 0.278 1.00 0.00 N ATOM 735 CA GLY A 51 -11.716 -0.021 1.428 1.00 0.00 C ATOM 736 C GLY A 51 -12.405 -1.369 1.347 1.00 0.00 C ATOM 737 O GLY A 51 -11.923 -2.355 1.903 1.00 0.00 O ATOM 0 H GLY A 51 -11.607 0.487 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.639 -0.171 1.507 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.034 0.492 2.336 1.00 0.00 H new ATOM 741 N SER A 52 -13.538 -1.412 0.653 1.00 0.00 N ATOM 742 CA SER A 52 -14.295 -2.648 0.501 1.00 0.00 C ATOM 743 C SER A 52 -14.181 -3.186 -0.922 1.00 0.00 C ATOM 744 O SER A 52 -14.120 -2.419 -1.882 1.00 0.00 O ATOM 745 CB SER A 52 -15.766 -2.417 0.854 1.00 0.00 C ATOM 746 OG SER A 52 -16.440 -3.647 1.060 1.00 0.00 O ATOM 0 H SER A 52 -13.952 -0.604 0.187 1.00 0.00 H new ATOM 0 HA SER A 52 -13.876 -3.387 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.836 -1.805 1.753 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.253 -1.862 0.052 1.00 0.00 H new ATOM 0 HG SER A 52 -17.378 -3.472 1.286 1.00 0.00 H new ATOM 752 N VAL A 53 -14.150 -4.508 -1.049 1.00 0.00 N ATOM 753 CA VAL A 53 -14.042 -5.149 -2.354 1.00 0.00 C ATOM 754 C VAL A 53 -14.728 -6.510 -2.356 1.00 0.00 C ATOM 755 O VAL A 53 -14.358 -7.404 -1.595 1.00 0.00 O ATOM 756 CB VAL A 53 -12.570 -5.327 -2.772 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.478 -5.809 -4.211 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.801 -4.028 -2.587 1.00 0.00 C ATOM 0 H VAL A 53 -14.198 -5.157 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.538 -4.494 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.119 -6.084 -2.130 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.431 -5.929 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.991 -6.766 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.946 -5.078 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.763 -4.174 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.251 -3.248 -3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.837 -3.730 -1.539 1.00 0.00 H new ATOM 768 N ALA A 54 -15.731 -6.661 -3.216 1.00 0.00 N ATOM 769 CA ALA A 54 -16.469 -7.914 -3.315 1.00 0.00 C ATOM 770 C ALA A 54 -17.130 -8.268 -1.988 1.00 0.00 C ATOM 771 O ALA A 54 -17.238 -9.440 -1.629 1.00 0.00 O ATOM 772 CB ALA A 54 -15.545 -9.036 -3.763 1.00 0.00 C ATOM 0 H ALA A 54 -16.050 -5.931 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.255 -7.787 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.109 -9.966 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.124 -8.793 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -14.739 -9.154 -3.039 1.00 0.00 H new ATOM 778 N GLY A 55 -17.570 -7.245 -1.261 1.00 0.00 N ATOM 779 CA GLY A 55 -18.214 -7.468 0.020 1.00 0.00 C ATOM 780 C GLY A 55 -17.226 -7.829 1.113 1.00 0.00 C ATOM 781 O GLY A 55 -17.599 -8.432 2.120 1.00 0.00 O ATOM 0 H GLY A 55 -17.492 -6.266 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.759 -6.570 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.948 -8.268 -0.080 1.00 0.00 H new ATOM 785 N VAL A 56 -15.964 -7.461 0.917 1.00 0.00 N ATOM 786 CA VAL A 56 -14.922 -7.751 1.895 1.00 0.00 C ATOM 787 C VAL A 56 -14.128 -6.494 2.235 1.00 0.00 C ATOM 788 O VAL A 56 -13.311 -6.030 1.441 1.00 0.00 O ATOM 789 CB VAL A 56 -13.954 -8.834 1.382 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.965 -9.227 2.470 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.723 -10.052 0.889 1.00 0.00 C ATOM 0 H VAL A 56 -15.638 -6.961 0.090 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.421 -8.119 2.792 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.393 -8.422 0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.290 -9.993 2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.389 -8.352 2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.507 -9.618 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.021 -10.805 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.313 -10.466 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.387 -9.759 0.076 1.00 0.00 H new ATOM 801 N ARG A 57 -14.375 -5.948 3.422 1.00 0.00 N ATOM 802 CA ARG A 57 -13.682 -4.745 3.868 1.00 0.00 C ATOM 803 C ARG A 57 -12.325 -5.090 4.473 1.00 0.00 C ATOM 804 O ARG A 57 -12.233 -5.904 5.392 1.00 0.00 O ATOM 805 CB ARG A 57 -14.534 -3.991 4.891 1.00 0.00 C ATOM 806 CG ARG A 57 -14.089 -2.554 5.111 1.00 0.00 C ATOM 807 CD ARG A 57 -15.175 -1.734 5.790 1.00 0.00 C ATOM 808 NE ARG A 57 -16.070 -1.103 4.823 1.00 0.00 N ATOM 809 CZ ARG A 57 -17.263 -0.602 5.135 1.00 0.00 C ATOM 810 NH1 ARG A 57 -17.707 -0.656 6.384 1.00 0.00 N ATOM 811 NH2 ARG A 57 -18.013 -0.045 4.194 1.00 0.00 N ATOM 0 H ARG A 57 -15.049 -6.319 4.091 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.519 -4.107 3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.573 -3.995 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.501 -4.523 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.186 -2.541 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.833 -2.100 4.154 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.753 -2.377 6.453 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.714 -0.967 6.412 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.763 -1.043 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.133 -1.083 7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.622 -0.270 6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.675 -0.001 3.232 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.927 0.339 4.432 1.00 0.00 H new ATOM 825 N TYR A 58 -11.275 -4.463 3.954 1.00 0.00 N ATOM 826 CA TYR A 58 -9.923 -4.702 4.443 1.00 0.00 C ATOM 827 C TYR A 58 -9.481 -3.589 5.387 1.00 0.00 C ATOM 828 O TYR A 58 -9.090 -3.846 6.526 1.00 0.00 O ATOM 829 CB TYR A 58 -8.946 -4.812 3.271 1.00 0.00 C ATOM 830 CG TYR A 58 -9.168 -6.034 2.408 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.221 -6.086 1.504 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.326 -7.134 2.499 1.00 0.00 C ATOM 833 CE1 TYR A 58 -10.428 -7.201 0.714 1.00 0.00 C ATOM 834 CE2 TYR A 58 -8.525 -8.253 1.711 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.578 -8.281 0.822 1.00 0.00 C ATOM 836 OH TYR A 58 -9.781 -9.393 0.037 1.00 0.00 O ATOM 0 H TYR A 58 -11.335 -3.785 3.194 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.924 -5.642 4.995 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.034 -3.920 2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.928 -4.832 3.659 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.889 -5.242 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.502 -7.116 3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.251 -7.226 0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.859 -9.100 1.792 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.044 -9.113 -0.865 1.00 0.00 H new ATOM 846 N PHE A 59 -9.545 -2.351 4.906 1.00 0.00 N ATOM 847 CA PHE A 59 -9.151 -1.198 5.707 1.00 0.00 C ATOM 848 C PHE A 59 -10.209 -0.102 5.638 1.00 0.00 C ATOM 849 O PHE A 59 -11.239 -0.259 4.984 1.00 0.00 O ATOM 850 CB PHE A 59 -7.803 -0.654 5.227 1.00 0.00 C ATOM 851 CG PHE A 59 -7.727 -0.466 3.739 1.00 0.00 C ATOM 852 CD1 PHE A 59 -8.151 0.717 3.154 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.231 -1.472 2.924 1.00 0.00 C ATOM 854 CE1 PHE A 59 -8.081 0.892 1.785 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.159 -1.302 1.556 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.585 -0.118 0.985 1.00 0.00 C ATOM 0 H PHE A 59 -9.866 -2.121 3.966 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.056 -1.521 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.611 0.301 5.716 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.013 -1.337 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.540 1.510 3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.897 -2.400 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.414 1.818 1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.770 -2.094 0.933 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.530 0.017 -0.085 1.00 0.00 H new ATOM 866 N GLN A 60 -9.947 1.009 6.319 1.00 0.00 N ATOM 867 CA GLN A 60 -10.877 2.133 6.337 1.00 0.00 C ATOM 868 C GLN A 60 -10.268 3.353 5.653 1.00 0.00 C ATOM 869 O GLN A 60 -9.123 3.719 5.919 1.00 0.00 O ATOM 870 CB GLN A 60 -11.264 2.479 7.775 1.00 0.00 C ATOM 871 CG GLN A 60 -12.458 3.413 7.876 1.00 0.00 C ATOM 872 CD GLN A 60 -13.754 2.751 7.451 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.894 2.304 6.313 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.713 2.684 8.369 1.00 0.00 N ATOM 0 H GLN A 60 -9.098 1.155 6.866 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.772 1.841 5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.487 1.558 8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.410 2.940 8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.554 3.764 8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.282 4.291 7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.555 3.067 9.301 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.607 2.249 8.142 1.00 0.00 H new ATOM 883 N CYS A 61 -11.042 3.979 4.772 1.00 0.00 N ATOM 884 CA CYS A 61 -10.579 5.159 4.051 1.00 0.00 C ATOM 885 C CYS A 61 -11.753 5.912 3.431 1.00 0.00 C ATOM 886 O CYS A 61 -12.912 5.570 3.660 1.00 0.00 O ATOM 887 CB CYS A 61 -9.583 4.759 2.962 1.00 0.00 C ATOM 888 SG CYS A 61 -10.286 3.711 1.666 1.00 0.00 S ATOM 0 H CYS A 61 -11.992 3.689 4.540 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.082 5.818 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.179 5.662 2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.747 4.235 3.424 1.00 0.00 H new ATOM 0 HG CYS A 61 -11.548 3.512 1.906 1.00 0.00 H new ATOM 894 N GLU A 62 -11.442 6.938 2.646 1.00 0.00 N ATOM 895 CA GLU A 62 -12.471 7.740 1.994 1.00 0.00 C ATOM 896 C GLU A 62 -12.842 7.149 0.635 1.00 0.00 C ATOM 897 O GLU A 62 -12.173 6.243 0.139 1.00 0.00 O ATOM 898 CB GLU A 62 -11.992 9.184 1.825 1.00 0.00 C ATOM 899 CG GLU A 62 -12.532 10.132 2.883 1.00 0.00 C ATOM 900 CD GLU A 62 -12.203 11.582 2.589 1.00 0.00 C ATOM 901 OE1 GLU A 62 -11.114 12.038 2.996 1.00 0.00 O ATOM 902 OE2 GLU A 62 -13.035 12.262 1.953 1.00 0.00 O ATOM 0 H GLU A 62 -10.487 7.234 2.446 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.359 7.732 2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.903 9.202 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.290 9.544 0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.614 10.015 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.119 9.859 3.854 1.00 0.00 H new ATOM 909 N PRO A 63 -13.921 7.656 0.014 1.00 0.00 N ATOM 910 CA PRO A 63 -14.383 7.175 -1.292 1.00 0.00 C ATOM 911 C PRO A 63 -13.313 7.292 -2.370 1.00 0.00 C ATOM 912 O PRO A 63 -12.649 8.323 -2.492 1.00 0.00 O ATOM 913 CB PRO A 63 -15.564 8.093 -1.621 1.00 0.00 C ATOM 914 CG PRO A 63 -16.018 8.620 -0.304 1.00 0.00 C ATOM 915 CD PRO A 63 -14.780 8.735 0.539 1.00 0.00 C ATOM 0 HA PRO A 63 -14.643 6.117 -1.258 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.263 8.901 -2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.362 7.546 -2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.505 9.588 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.744 7.950 0.156 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.310 9.713 0.434 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.998 8.598 1.598 1.00 0.00 H new ATOM 923 N LEU A 64 -13.156 6.233 -3.158 1.00 0.00 N ATOM 924 CA LEU A 64 -12.175 6.217 -4.235 1.00 0.00 C ATOM 925 C LEU A 64 -10.773 6.526 -3.717 1.00 0.00 C ATOM 926 O LEU A 64 -9.937 7.061 -4.445 1.00 0.00 O ATOM 927 CB LEU A 64 -12.566 7.228 -5.315 1.00 0.00 C ATOM 928 CG LEU A 64 -14.009 7.122 -5.808 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.295 8.187 -6.856 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.279 5.734 -6.370 1.00 0.00 C ATOM 0 H LEU A 64 -13.698 5.373 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.163 5.214 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.404 8.233 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.897 7.104 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.675 7.286 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.327 8.096 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.142 9.175 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.622 8.054 -7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.311 5.676 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.605 5.542 -7.205 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.115 4.988 -5.592 1.00 0.00 H new ATOM 942 N LYS A 65 -10.520 6.184 -2.458 1.00 0.00 N ATOM 943 CA LYS A 65 -9.215 6.425 -1.851 1.00 0.00 C ATOM 944 C LYS A 65 -8.608 5.124 -1.336 1.00 0.00 C ATOM 945 O LYS A 65 -7.979 5.095 -0.278 1.00 0.00 O ATOM 946 CB LYS A 65 -9.337 7.434 -0.707 1.00 0.00 C ATOM 947 CG LYS A 65 -9.536 8.865 -1.179 1.00 0.00 C ATOM 948 CD LYS A 65 -9.133 9.865 -0.108 1.00 0.00 C ATOM 949 CE LYS A 65 -10.029 11.093 -0.128 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.660 12.032 -1.223 1.00 0.00 N ATOM 0 H LYS A 65 -11.199 5.740 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.556 6.835 -2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.175 7.150 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.438 7.384 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.947 9.038 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.581 9.019 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.185 9.391 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.097 10.167 -0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.067 10.783 -0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.961 11.608 0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.238 12.894 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.654 12.282 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.831 11.577 -2.143 1.00 0.00 H new ATOM 964 N GLY A 66 -8.799 4.049 -2.093 1.00 0.00 N ATOM 965 CA GLY A 66 -8.264 2.759 -1.701 1.00 0.00 C ATOM 966 C GLY A 66 -8.201 1.781 -2.858 1.00 0.00 C ATOM 967 O GLY A 66 -9.203 1.538 -3.529 1.00 0.00 O ATOM 0 H GLY A 66 -9.316 4.048 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.264 2.894 -1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.882 2.339 -0.907 1.00 0.00 H new ATOM 971 N ILE A 67 -7.019 1.219 -3.090 1.00 0.00 N ATOM 972 CA ILE A 67 -6.828 0.262 -4.173 1.00 0.00 C ATOM 973 C ILE A 67 -5.799 -0.798 -3.793 1.00 0.00 C ATOM 974 O ILE A 67 -4.969 -0.582 -2.910 1.00 0.00 O ATOM 975 CB ILE A 67 -6.378 0.965 -5.471 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.293 -0.040 -6.622 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.040 1.660 -5.265 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.350 0.602 -7.991 1.00 0.00 C ATOM 0 H ILE A 67 -6.180 1.410 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.791 -0.219 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.120 1.721 -5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.365 -0.604 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.111 -0.755 -6.531 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.738 2.150 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.135 2.404 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.287 0.924 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.285 -0.170 -8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.290 1.143 -8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.517 1.296 -8.102 1.00 0.00 H new ATOM 990 N PHE A 68 -5.859 -1.942 -4.465 1.00 0.00 N ATOM 991 CA PHE A 68 -4.933 -3.036 -4.197 1.00 0.00 C ATOM 992 C PHE A 68 -4.073 -3.333 -5.422 1.00 0.00 C ATOM 993 O PHE A 68 -4.588 -3.634 -6.498 1.00 0.00 O ATOM 994 CB PHE A 68 -5.700 -4.293 -3.783 1.00 0.00 C ATOM 995 CG PHE A 68 -6.624 -4.074 -2.619 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.852 -3.458 -2.798 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.264 -4.486 -1.345 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.704 -3.256 -1.728 1.00 0.00 C ATOM 999 CE2 PHE A 68 -7.111 -4.286 -0.272 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.333 -3.670 -0.464 1.00 0.00 C ATOM 0 H PHE A 68 -6.539 -2.136 -5.200 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.279 -2.732 -3.380 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.279 -4.653 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.987 -5.077 -3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.147 -3.132 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.311 -4.969 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.659 -2.775 -1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.818 -4.611 0.716 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.997 -3.513 0.373 1.00 0.00 H new ATOM 1010 N THR A 69 -2.757 -3.245 -5.248 1.00 0.00 N ATOM 1011 CA THR A 69 -1.824 -3.504 -6.338 1.00 0.00 C ATOM 1012 C THR A 69 -0.572 -4.208 -5.827 1.00 0.00 C ATOM 1013 O THR A 69 -0.297 -4.211 -4.626 1.00 0.00 O ATOM 1014 CB THR A 69 -1.442 -2.194 -7.032 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.619 -2.445 -8.158 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.702 -1.232 -6.127 1.00 0.00 C ATOM 0 H THR A 69 -2.314 -2.997 -4.363 1.00 0.00 H new ATOM 0 HA THR A 69 -2.317 -4.158 -7.058 1.00 0.00 H new ATOM 0 HB THR A 69 -2.386 -1.736 -7.327 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.387 -1.596 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.461 -0.324 -6.680 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.330 -0.980 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.219 -1.698 -5.776 1.00 0.00 H new ATOM 1024 N ARG A 70 0.184 -4.804 -6.743 1.00 0.00 N ATOM 1025 CA ARG A 70 1.407 -5.511 -6.382 1.00 0.00 C ATOM 1026 C ARG A 70 2.436 -4.549 -5.787 1.00 0.00 C ATOM 1027 O ARG A 70 2.706 -3.492 -6.358 1.00 0.00 O ATOM 1028 CB ARG A 70 1.995 -6.212 -7.608 1.00 0.00 C ATOM 1029 CG ARG A 70 1.250 -7.478 -8.000 1.00 0.00 C ATOM 1030 CD ARG A 70 2.208 -8.589 -8.401 1.00 0.00 C ATOM 1031 NE ARG A 70 1.752 -9.898 -7.939 1.00 0.00 N ATOM 1032 CZ ARG A 70 2.460 -11.018 -8.070 1.00 0.00 C ATOM 1033 NH1 ARG A 70 3.655 -10.992 -8.647 1.00 0.00 N ATOM 1034 NH2 ARG A 70 1.971 -12.167 -7.622 1.00 0.00 N ATOM 0 H ARG A 70 -0.029 -4.811 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 70 1.158 -6.259 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.987 -5.520 -8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.037 -6.461 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.634 -7.812 -7.165 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.575 -7.262 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.312 -8.604 -9.486 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.196 -8.383 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 70 0.838 -9.957 -7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.035 -10.111 -8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.193 -11.853 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.053 -12.192 -7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.513 -13.025 -7.722 1.00 0.00 H new ATOM 1048 N PRO A 71 3.028 -4.900 -4.631 1.00 0.00 N ATOM 1049 CA PRO A 71 4.029 -4.054 -3.970 1.00 0.00 C ATOM 1050 C PRO A 71 5.206 -3.729 -4.883 1.00 0.00 C ATOM 1051 O PRO A 71 5.779 -2.642 -4.810 1.00 0.00 O ATOM 1052 CB PRO A 71 4.497 -4.904 -2.784 1.00 0.00 C ATOM 1053 CG PRO A 71 3.387 -5.864 -2.534 1.00 0.00 C ATOM 1054 CD PRO A 71 2.771 -6.141 -3.877 1.00 0.00 C ATOM 0 HA PRO A 71 3.613 -3.089 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.425 -5.426 -3.015 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.689 -4.286 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.759 -6.782 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.653 -5.442 -1.847 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.228 -7.006 -4.358 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.704 -6.348 -3.795 1.00 0.00 H new ATOM 1062 N SER A 72 5.564 -4.679 -5.740 1.00 0.00 N ATOM 1063 CA SER A 72 6.676 -4.495 -6.667 1.00 0.00 C ATOM 1064 C SER A 72 6.462 -3.265 -7.545 1.00 0.00 C ATOM 1065 O SER A 72 7.420 -2.614 -7.961 1.00 0.00 O ATOM 1066 CB SER A 72 6.847 -5.737 -7.543 1.00 0.00 C ATOM 1067 OG SER A 72 8.214 -5.974 -7.830 1.00 0.00 O ATOM 0 H SER A 72 5.100 -5.585 -5.812 1.00 0.00 H new ATOM 0 HA SER A 72 7.582 -4.343 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.423 -6.604 -7.037 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.294 -5.609 -8.473 1.00 0.00 H new ATOM 0 HG SER A 72 8.297 -6.774 -8.390 1.00 0.00 H new ATOM 1073 N LYS A 73 5.200 -2.955 -7.823 1.00 0.00 N ATOM 1074 CA LYS A 73 4.861 -1.803 -8.652 1.00 0.00 C ATOM 1075 C LYS A 73 5.006 -0.503 -7.867 1.00 0.00 C ATOM 1076 O LYS A 73 5.312 0.545 -8.434 1.00 0.00 O ATOM 1077 CB LYS A 73 3.434 -1.935 -9.185 1.00 0.00 C ATOM 1078 CG LYS A 73 3.202 -3.198 -10.000 1.00 0.00 C ATOM 1079 CD LYS A 73 2.296 -2.937 -11.192 1.00 0.00 C ATOM 1080 CE LYS A 73 0.888 -3.453 -10.946 1.00 0.00 C ATOM 1081 NZ LYS A 73 0.726 -4.862 -11.399 1.00 0.00 N ATOM 0 H LYS A 73 4.396 -3.485 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 73 5.555 -1.776 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.739 -1.922 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.204 -1.067 -9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.159 -3.588 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.757 -3.965 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.262 -1.867 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.711 -3.418 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.657 -3.385 -9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.172 -2.819 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.248 -5.176 -11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.922 -4.924 -12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.391 -5.472 -10.882 1.00 0.00 H new ATOM 1095 N LEU A 74 4.783 -0.580 -6.558 1.00 0.00 N ATOM 1096 CA LEU A 74 4.889 0.592 -5.696 1.00 0.00 C ATOM 1097 C LEU A 74 6.294 1.181 -5.745 1.00 0.00 C ATOM 1098 O LEU A 74 7.256 0.494 -6.089 1.00 0.00 O ATOM 1099 CB LEU A 74 4.528 0.222 -4.255 1.00 0.00 C ATOM 1100 CG LEU A 74 3.185 -0.489 -4.087 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.901 -0.751 -2.616 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.066 0.335 -4.708 1.00 0.00 C ATOM 0 H LEU A 74 4.528 -1.440 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 74 4.189 1.344 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.313 -0.418 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.518 1.131 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 74 3.235 -1.448 -4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.941 -1.258 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.688 -1.379 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.870 0.196 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.117 -0.185 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.016 1.308 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.263 0.474 -5.771 1.00 0.00 H new ATOM 1114 N THR A 75 6.406 2.461 -5.402 1.00 0.00 N ATOM 1115 CA THR A 75 7.694 3.145 -5.408 1.00 0.00 C ATOM 1116 C THR A 75 7.830 4.058 -4.193 1.00 0.00 C ATOM 1117 O THR A 75 6.845 4.370 -3.524 1.00 0.00 O ATOM 1118 CB THR A 75 7.857 3.959 -6.692 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.447 3.205 -7.819 1.00 0.00 O ATOM 1120 CG2 THR A 75 9.280 4.412 -6.936 1.00 0.00 C ATOM 0 H THR A 75 5.620 3.045 -5.116 1.00 0.00 H new ATOM 0 HA THR A 75 8.479 2.390 -5.363 1.00 0.00 H new ATOM 0 HB THR A 75 7.230 4.840 -6.557 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.557 3.743 -8.630 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.326 4.984 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.610 5.038 -6.107 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.931 3.541 -7.015 1.00 0.00 H new ATOM 1128 N ARG A 76 9.058 4.483 -3.914 1.00 0.00 N ATOM 1129 CA ARG A 76 9.324 5.361 -2.780 1.00 0.00 C ATOM 1130 C ARG A 76 9.510 6.804 -3.240 1.00 0.00 C ATOM 1131 O ARG A 76 10.530 7.149 -3.836 1.00 0.00 O ATOM 1132 CB ARG A 76 10.568 4.890 -2.025 1.00 0.00 C ATOM 1133 CG ARG A 76 10.611 3.386 -1.802 1.00 0.00 C ATOM 1134 CD ARG A 76 12.000 2.922 -1.393 1.00 0.00 C ATOM 1135 NE ARG A 76 12.438 1.761 -2.165 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.759 1.807 -3.456 1.00 0.00 C ATOM 1137 NH1 ARG A 76 12.691 2.953 -4.123 1.00 0.00 N ATOM 1138 NH2 ARG A 76 13.148 0.704 -4.082 1.00 0.00 N ATOM 0 H ARG A 76 9.884 4.234 -4.457 1.00 0.00 H new ATOM 0 HA ARG A 76 8.464 5.320 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.456 5.192 -2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.609 5.394 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.893 3.111 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.309 2.873 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.710 3.738 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.001 2.673 -0.332 1.00 0.00 H new ATOM 0 HE ARG A 76 12.501 0.863 -1.686 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.392 3.804 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.938 2.983 -5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.201 -0.179 -3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.394 0.739 -5.071 1.00 0.00 H new ATOM 1152 N LYS A 77 8.517 7.642 -2.956 1.00 0.00 N ATOM 1153 CA LYS A 77 8.569 9.048 -3.340 1.00 0.00 C ATOM 1154 C LYS A 77 8.697 9.197 -4.852 1.00 0.00 C ATOM 1155 O LYS A 77 9.077 8.257 -5.549 1.00 0.00 O ATOM 1156 CB LYS A 77 9.743 9.743 -2.646 1.00 0.00 C ATOM 1157 CG LYS A 77 9.516 11.228 -2.412 1.00 0.00 C ATOM 1158 CD LYS A 77 10.689 11.863 -1.682 1.00 0.00 C ATOM 1159 CE LYS A 77 10.269 13.122 -0.939 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.134 12.883 0.525 1.00 0.00 N ATOM 0 H LYS A 77 7.667 7.371 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 77 7.638 9.519 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.928 9.257 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.641 9.611 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.367 11.729 -3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.605 11.371 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.110 11.147 -0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.475 12.107 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.004 13.908 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.320 13.479 -1.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.847 13.765 0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.415 12.151 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.046 12.566 0.911 1.00 0.00 H new