USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 893 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 108 THR OG1 : rot -180:sc= 0.716! USER MOD Set 1.2: A 110 ASN : amide:sc= -17.2! C(o=-16!,f=-16!) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -142:sc= -1.94 (180deg=-5.18!) USER MOD Set 2.2: A 67 HIS : no HD1:sc= -4.21! C(o=-6.2!,f=-6.4!) USER MOD Set 3.1: A 40 HIS : no HD1:sc= -2.4! K(o=-4.7!,f=-1.3) USER MOD Set 3.2: A 74 SER OG : rot 0:sc= -2.34! USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= -0.177 (180deg=-0.862) USER MOD Single : A 7 MET CE :methyl -107:sc= -0.361 (180deg=-3.85!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -7.19! C(o=-7.2!,f=-5.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 134:sc= 0.234 USER MOD Single : A 45 CYS SG : rot 37:sc= -3.03! USER MOD Single : A 47 GLN : amide:sc= -8.95! C(o=-9!,f=-4.1!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -10.6! C(o=-11!,f=-1.8!) USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -9e-06 (180deg=-0.273) USER MOD Single : A 68 HIS : no HE2:sc= -3.05! C(o=-3.1!,f=-6.1!) USER MOD Single : A 70 THR OG1 : rot -175:sc= -10.7! USER MOD Single : A 77 TYR OH : rot -130:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.562 K(o=-0.56,f=-5.5!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 160:sc= -2.88! USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= -0.0109 (180deg=-0.249) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -130:sc= -3.34! (180deg=-5.25!) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= -0.325 (180deg=-2.52!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -125:sc= -0.354 (180deg=-1.79!) USER MOD Single : A 103 THR OG1 : rot -150:sc= -0.959! USER MOD Single : A 111 GLN : amide:sc= -0.187 K(o=-0.19,f=-2.4!) USER MOD Single : A 114 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0485) USER MOD Single : A 118 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -7.099 -8.036 86.122 1.00 0.00 N ATOM 44 CA LYS A 4 -6.706 -7.535 87.466 1.00 0.00 C ATOM 45 C LYS A 4 -6.324 -8.697 88.394 1.00 0.00 C ATOM 46 O LYS A 4 -5.171 -8.873 88.734 1.00 0.00 O ATOM 47 CB LYS A 4 -7.882 -6.765 88.062 1.00 0.00 C ATOM 48 CG LYS A 4 -8.119 -5.493 87.246 1.00 0.00 C ATOM 49 CD LYS A 4 -9.277 -4.704 87.859 1.00 0.00 C ATOM 50 CE LYS A 4 -9.601 -3.494 86.979 1.00 0.00 C ATOM 51 NZ LYS A 4 -8.337 -2.886 86.473 1.00 0.00 N ATOM 0 HA LYS A 4 -5.838 -6.884 87.365 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.778 -7.386 88.057 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.676 -6.511 89.102 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.216 -4.883 87.233 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.346 -5.749 86.211 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.155 -5.343 87.953 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.013 -4.375 88.864 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.229 -3.799 86.142 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.166 -2.758 87.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.518 -1.906 86.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.623 -2.891 87.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.987 -3.436 85.662 1.00 0.00 H new ATOM 65 N GLU A 5 -7.281 -9.473 88.825 1.00 0.00 N ATOM 66 CA GLU A 5 -6.974 -10.607 89.751 1.00 0.00 C ATOM 67 C GLU A 5 -5.737 -11.375 89.270 1.00 0.00 C ATOM 68 O GLU A 5 -4.896 -11.769 90.054 1.00 0.00 O ATOM 69 CB GLU A 5 -8.172 -11.558 89.794 1.00 0.00 C ATOM 70 CG GLU A 5 -8.027 -12.513 90.980 1.00 0.00 C ATOM 71 CD GLU A 5 -9.297 -13.356 91.111 1.00 0.00 C ATOM 72 OE1 GLU A 5 -9.882 -13.671 90.087 1.00 0.00 O ATOM 73 OE2 GLU A 5 -9.664 -13.670 92.232 1.00 0.00 O ATOM 0 H GLU A 5 -8.265 -9.372 88.577 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.775 -10.207 90.745 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -9.098 -10.989 89.883 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.234 -12.124 88.864 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.161 -13.160 90.837 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.855 -11.949 91.897 1.00 0.00 H new ATOM 80 N PHE A 6 -5.623 -11.596 87.990 1.00 0.00 N ATOM 81 CA PHE A 6 -4.451 -12.348 87.454 1.00 0.00 C ATOM 82 C PHE A 6 -3.156 -11.574 87.741 1.00 0.00 C ATOM 83 O PHE A 6 -2.325 -12.016 88.511 1.00 0.00 O ATOM 84 CB PHE A 6 -4.643 -12.548 85.944 1.00 0.00 C ATOM 85 CG PHE A 6 -3.342 -12.935 85.265 1.00 0.00 C ATOM 86 CD1 PHE A 6 -2.482 -13.884 85.842 1.00 0.00 C ATOM 87 CD2 PHE A 6 -3.007 -12.351 84.036 1.00 0.00 C ATOM 88 CE1 PHE A 6 -1.289 -14.233 85.191 1.00 0.00 C ATOM 89 CE2 PHE A 6 -1.817 -12.702 83.388 1.00 0.00 C ATOM 90 CZ PHE A 6 -0.960 -13.645 83.964 1.00 0.00 C ATOM 0 H PHE A 6 -6.294 -11.287 87.287 1.00 0.00 H new ATOM 0 HA PHE A 6 -4.376 -13.321 87.939 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -5.390 -13.323 85.770 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.027 -11.630 85.500 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.739 -14.344 86.785 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.670 -11.627 83.587 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.623 -14.957 85.637 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.561 -12.245 82.444 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.044 -13.920 83.462 1.00 0.00 H new ATOM 100 N MET A 7 -2.962 -10.429 87.134 1.00 0.00 N ATOM 101 CA MET A 7 -1.701 -9.668 87.399 1.00 0.00 C ATOM 102 C MET A 7 -1.606 -9.348 88.893 1.00 0.00 C ATOM 103 O MET A 7 -0.541 -9.383 89.475 1.00 0.00 O ATOM 104 CB MET A 7 -1.657 -8.373 86.561 1.00 0.00 C ATOM 105 CG MET A 7 -2.280 -7.191 87.323 1.00 0.00 C ATOM 106 SD MET A 7 -2.618 -5.839 86.164 1.00 0.00 S ATOM 107 CE MET A 7 -3.925 -6.658 85.213 1.00 0.00 C ATOM 0 H MET A 7 -3.610 -9.994 86.477 1.00 0.00 H new ATOM 0 HA MET A 7 -0.847 -10.281 87.109 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.624 -8.139 86.304 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.192 -8.526 85.623 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.202 -7.505 87.812 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.603 -6.852 88.107 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.540 -6.938 84.232 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.255 -7.552 85.743 1.00 0.00 H new ATOM 0 HE3 MET A 7 -4.767 -5.977 85.091 1.00 0.00 H new ATOM 117 N TRP A 8 -2.702 -9.042 89.524 1.00 0.00 N ATOM 118 CA TRP A 8 -2.648 -8.730 90.979 1.00 0.00 C ATOM 119 C TRP A 8 -1.875 -9.835 91.712 1.00 0.00 C ATOM 120 O TRP A 8 -1.567 -9.718 92.881 1.00 0.00 O ATOM 121 CB TRP A 8 -4.069 -8.630 91.548 1.00 0.00 C ATOM 122 CG TRP A 8 -4.029 -7.909 92.859 1.00 0.00 C ATOM 123 CD1 TRP A 8 -4.231 -8.480 94.070 1.00 0.00 C ATOM 124 CD2 TRP A 8 -3.775 -6.497 93.110 1.00 0.00 C ATOM 125 NE1 TRP A 8 -4.113 -7.508 95.048 1.00 0.00 N ATOM 126 CE2 TRP A 8 -3.830 -6.269 94.506 1.00 0.00 C ATOM 127 CE3 TRP A 8 -3.498 -5.404 92.270 1.00 0.00 C ATOM 128 CZ2 TRP A 8 -3.624 -4.999 95.048 1.00 0.00 C ATOM 129 CZ3 TRP A 8 -3.292 -4.125 92.812 1.00 0.00 C ATOM 130 CH2 TRP A 8 -3.351 -3.924 94.198 1.00 0.00 C ATOM 0 H TRP A 8 -3.628 -8.994 89.100 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.141 -7.776 91.121 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -4.716 -8.101 90.849 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.491 -9.626 91.681 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.449 -9.523 94.244 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.222 -7.685 96.047 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.443 -5.549 91.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.675 -4.849 96.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -3.087 -3.291 92.157 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.186 -2.939 94.609 1.00 0.00 H new ATOM 141 N ALA A 9 -1.558 -10.906 91.034 1.00 0.00 N ATOM 142 CA ALA A 9 -0.806 -12.017 91.685 1.00 0.00 C ATOM 143 C ALA A 9 0.688 -11.687 91.677 1.00 0.00 C ATOM 144 O ALA A 9 1.353 -11.766 92.691 1.00 0.00 O ATOM 145 CB ALA A 9 -1.056 -13.318 90.922 1.00 0.00 C ATOM 0 H ALA A 9 -1.789 -11.059 90.052 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.144 -12.137 92.714 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.506 -14.130 91.398 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.122 -13.547 90.932 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.718 -13.206 89.892 1.00 0.00 H new ATOM 151 N LEU A 10 1.222 -11.302 90.545 1.00 0.00 N ATOM 152 CA LEU A 10 2.672 -10.945 90.495 1.00 0.00 C ATOM 153 C LEU A 10 2.975 -9.998 91.656 1.00 0.00 C ATOM 154 O LEU A 10 4.108 -9.787 92.039 1.00 0.00 O ATOM 155 CB LEU A 10 2.996 -10.168 89.200 1.00 0.00 C ATOM 156 CG LEU A 10 2.435 -10.858 87.935 1.00 0.00 C ATOM 157 CD1 LEU A 10 1.763 -9.818 87.024 1.00 0.00 C ATOM 158 CD2 LEU A 10 3.580 -11.502 87.146 1.00 0.00 C ATOM 0 H LEU A 10 0.721 -11.220 89.660 1.00 0.00 H new ATOM 0 HA LEU A 10 3.257 -11.864 90.542 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.585 -9.161 89.273 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.077 -10.065 89.104 1.00 0.00 H new ATOM 0 HG LEU A 10 1.712 -11.613 88.246 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.371 -10.312 86.135 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.946 -9.337 87.562 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.495 -9.067 86.728 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.180 -11.987 86.255 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.295 -10.734 86.851 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.080 -12.243 87.770 1.00 0.00 H new ATOM 170 N LYS A 11 1.950 -9.376 92.152 1.00 0.00 N ATOM 171 CA LYS A 11 2.102 -8.351 93.224 1.00 0.00 C ATOM 172 C LYS A 11 2.066 -8.931 94.648 1.00 0.00 C ATOM 173 O LYS A 11 3.051 -8.895 95.361 1.00 0.00 O ATOM 174 CB LYS A 11 0.930 -7.385 93.041 1.00 0.00 C ATOM 175 CG LYS A 11 0.740 -6.472 94.260 1.00 0.00 C ATOM 176 CD LYS A 11 2.049 -5.769 94.630 1.00 0.00 C ATOM 177 CE LYS A 11 1.810 -4.870 95.845 1.00 0.00 C ATOM 178 NZ LYS A 11 3.122 -4.501 96.447 1.00 0.00 N ATOM 0 H LYS A 11 0.987 -9.536 91.855 1.00 0.00 H new ATOM 0 HA LYS A 11 3.079 -7.876 93.128 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.099 -6.774 92.154 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.016 -7.953 92.868 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.028 -5.729 94.046 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.387 -7.060 95.107 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.821 -6.505 94.853 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.408 -5.176 93.789 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.268 -3.973 95.547 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.192 -5.387 96.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.965 -3.890 97.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.622 -5.363 96.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.696 -3.992 95.744 1.00 0.00 H new ATOM 192 N ASN A 12 0.929 -9.397 95.093 1.00 0.00 N ATOM 193 CA ASN A 12 0.826 -9.891 96.501 1.00 0.00 C ATOM 194 C ASN A 12 1.491 -11.262 96.650 1.00 0.00 C ATOM 195 O ASN A 12 1.144 -12.045 97.514 1.00 0.00 O ATOM 196 CB ASN A 12 -0.656 -9.966 96.905 1.00 0.00 C ATOM 197 CG ASN A 12 -0.864 -9.315 98.279 1.00 0.00 C ATOM 198 OD1 ASN A 12 -1.050 -9.995 99.267 1.00 0.00 O ATOM 199 ND2 ASN A 12 -0.852 -8.012 98.382 1.00 0.00 N ATOM 0 H ASN A 12 0.070 -9.458 94.547 1.00 0.00 H new ATOM 0 HA ASN A 12 1.347 -9.196 97.159 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.270 -9.462 96.159 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.980 -11.006 96.934 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -0.999 -7.571 99.290 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.696 -7.436 97.554 1.00 0.00 H new ATOM 206 N GLY A 13 2.475 -11.533 95.847 1.00 0.00 N ATOM 207 CA GLY A 13 3.203 -12.820 95.964 1.00 0.00 C ATOM 208 C GLY A 13 2.249 -13.997 95.785 1.00 0.00 C ATOM 209 O GLY A 13 2.560 -15.112 96.150 1.00 0.00 O ATOM 0 H GLY A 13 2.809 -10.913 95.109 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.992 -12.867 95.213 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.687 -12.883 96.939 1.00 0.00 H new ATOM 213 N ASP A 14 1.096 -13.767 95.217 1.00 0.00 N ATOM 214 CA ASP A 14 0.146 -14.890 95.008 1.00 0.00 C ATOM 215 C ASP A 14 0.741 -15.775 93.934 1.00 0.00 C ATOM 216 O ASP A 14 0.136 -16.097 92.930 1.00 0.00 O ATOM 217 CB ASP A 14 -1.201 -14.354 94.562 1.00 0.00 C ATOM 218 CG ASP A 14 -1.432 -12.978 95.189 1.00 0.00 C ATOM 219 OD1 ASP A 14 -0.623 -12.096 94.950 1.00 0.00 O ATOM 220 OD2 ASP A 14 -2.410 -12.831 95.901 1.00 0.00 O ATOM 0 H ASP A 14 0.775 -12.855 94.891 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.008 -15.450 95.930 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.234 -14.281 93.475 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.994 -15.040 94.860 1.00 0.00 H new ATOM 225 N LEU A 15 1.951 -16.127 94.157 1.00 0.00 N ATOM 226 CA LEU A 15 2.714 -16.958 93.209 1.00 0.00 C ATOM 227 C LEU A 15 1.873 -18.152 92.751 1.00 0.00 C ATOM 228 O LEU A 15 2.035 -18.657 91.657 1.00 0.00 O ATOM 229 CB LEU A 15 3.980 -17.388 93.952 1.00 0.00 C ATOM 230 CG LEU A 15 4.886 -18.259 93.083 1.00 0.00 C ATOM 231 CD1 LEU A 15 4.339 -19.696 92.990 1.00 0.00 C ATOM 232 CD2 LEU A 15 5.018 -17.640 91.686 1.00 0.00 C ATOM 0 H LEU A 15 2.471 -15.864 94.994 1.00 0.00 H new ATOM 0 HA LEU A 15 2.976 -16.414 92.301 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.529 -16.503 94.275 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.703 -17.938 94.852 1.00 0.00 H new ATOM 0 HG LEU A 15 5.873 -18.306 93.544 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.000 -20.297 92.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.287 -20.131 93.988 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.342 -19.678 92.550 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.665 -18.265 91.071 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.033 -17.572 91.224 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.450 -16.643 91.769 1.00 0.00 H new ATOM 244 N ASP A 16 0.968 -18.593 93.572 1.00 0.00 N ATOM 245 CA ASP A 16 0.101 -19.734 93.194 1.00 0.00 C ATOM 246 C ASP A 16 -0.814 -19.339 92.029 1.00 0.00 C ATOM 247 O ASP A 16 -1.239 -20.168 91.251 1.00 0.00 O ATOM 248 CB ASP A 16 -0.767 -20.092 94.392 1.00 0.00 C ATOM 249 CG ASP A 16 0.114 -20.329 95.617 1.00 0.00 C ATOM 250 OD1 ASP A 16 0.946 -21.220 95.560 1.00 0.00 O ATOM 251 OD2 ASP A 16 -0.059 -19.619 96.594 1.00 0.00 O ATOM 0 H ASP A 16 0.791 -18.207 94.499 1.00 0.00 H new ATOM 0 HA ASP A 16 0.721 -20.578 92.893 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.476 -19.288 94.592 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.352 -20.986 94.175 1.00 0.00 H new ATOM 256 N GLU A 17 -1.150 -18.079 91.931 1.00 0.00 N ATOM 257 CA GLU A 17 -2.073 -17.626 90.846 1.00 0.00 C ATOM 258 C GLU A 17 -1.313 -17.468 89.515 1.00 0.00 C ATOM 259 O GLU A 17 -1.755 -17.939 88.482 1.00 0.00 O ATOM 260 CB GLU A 17 -2.705 -16.286 91.250 1.00 0.00 C ATOM 261 CG GLU A 17 -4.037 -16.524 91.978 1.00 0.00 C ATOM 262 CD GLU A 17 -3.812 -17.424 93.197 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.280 -16.935 94.180 1.00 0.00 O ATOM 264 OE2 GLU A 17 -4.185 -18.583 93.130 1.00 0.00 O ATOM 0 H GLU A 17 -0.825 -17.342 92.557 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.852 -18.375 90.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.023 -15.734 91.897 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.871 -15.673 90.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.465 -15.572 92.292 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.754 -16.988 91.300 1.00 0.00 H new ATOM 271 N VAL A 18 -0.173 -16.824 89.526 1.00 0.00 N ATOM 272 CA VAL A 18 0.598 -16.654 88.253 1.00 0.00 C ATOM 273 C VAL A 18 1.019 -18.045 87.782 1.00 0.00 C ATOM 274 O VAL A 18 1.151 -18.320 86.605 1.00 0.00 O ATOM 275 CB VAL A 18 1.875 -15.814 88.511 1.00 0.00 C ATOM 276 CG1 VAL A 18 1.705 -14.372 88.017 1.00 0.00 C ATOM 277 CG2 VAL A 18 2.181 -15.784 90.008 1.00 0.00 C ATOM 0 H VAL A 18 0.256 -16.411 90.354 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.017 -16.147 87.509 1.00 0.00 H new ATOM 0 HB VAL A 18 2.694 -16.280 87.963 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.618 -13.810 88.213 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.504 -14.376 86.946 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.872 -13.904 88.541 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.079 -15.192 90.184 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.342 -15.338 90.542 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.340 -16.801 90.367 1.00 0.00 H new ATOM 287 N LYS A 19 1.229 -18.913 88.718 1.00 0.00 N ATOM 288 CA LYS A 19 1.652 -20.301 88.412 1.00 0.00 C ATOM 289 C LYS A 19 0.547 -21.056 87.680 1.00 0.00 C ATOM 290 O LYS A 19 0.799 -21.975 86.925 1.00 0.00 O ATOM 291 CB LYS A 19 1.930 -20.974 89.746 1.00 0.00 C ATOM 292 CG LYS A 19 2.366 -22.423 89.542 1.00 0.00 C ATOM 293 CD LYS A 19 3.168 -22.878 90.769 1.00 0.00 C ATOM 294 CE LYS A 19 4.625 -22.404 90.659 1.00 0.00 C ATOM 295 NZ LYS A 19 5.475 -23.550 90.239 1.00 0.00 N ATOM 0 H LYS A 19 1.123 -18.715 89.713 1.00 0.00 H new ATOM 0 HA LYS A 19 2.532 -20.299 87.769 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.708 -20.427 90.279 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.035 -20.943 90.368 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.495 -23.063 89.403 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.973 -22.511 88.641 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.716 -22.478 91.676 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.137 -23.965 90.850 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.703 -21.592 89.936 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.967 -22.012 91.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.464 -23.239 90.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.406 -24.311 90.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.150 -23.903 89.316 1.00 0.00 H new ATOM 309 N ASP A 20 -0.672 -20.687 87.911 1.00 0.00 N ATOM 310 CA ASP A 20 -1.799 -21.384 87.248 1.00 0.00 C ATOM 311 C ASP A 20 -1.784 -21.081 85.752 1.00 0.00 C ATOM 312 O ASP A 20 -1.838 -21.972 84.926 1.00 0.00 O ATOM 313 CB ASP A 20 -3.113 -20.905 87.867 1.00 0.00 C ATOM 314 CG ASP A 20 -4.279 -21.693 87.270 1.00 0.00 C ATOM 315 OD1 ASP A 20 -4.505 -21.569 86.078 1.00 0.00 O ATOM 316 OD2 ASP A 20 -4.929 -22.405 88.017 1.00 0.00 O ATOM 0 H ASP A 20 -0.940 -19.926 88.535 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.702 -22.461 87.388 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.087 -21.038 88.949 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.248 -19.840 87.680 1.00 0.00 H new ATOM 321 N TYR A 21 -1.709 -19.831 85.393 1.00 0.00 N ATOM 322 CA TYR A 21 -1.690 -19.479 83.947 1.00 0.00 C ATOM 323 C TYR A 21 -0.423 -20.049 83.297 1.00 0.00 C ATOM 324 O TYR A 21 -0.467 -20.638 82.236 1.00 0.00 O ATOM 325 CB TYR A 21 -1.712 -17.955 83.795 1.00 0.00 C ATOM 326 CG TYR A 21 -3.052 -17.416 84.250 1.00 0.00 C ATOM 327 CD1 TYR A 21 -4.110 -17.315 83.339 1.00 0.00 C ATOM 328 CD2 TYR A 21 -3.229 -16.995 85.576 1.00 0.00 C ATOM 329 CE1 TYR A 21 -5.349 -16.811 83.754 1.00 0.00 C ATOM 330 CE2 TYR A 21 -4.468 -16.489 85.991 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.525 -16.390 85.078 1.00 0.00 C ATOM 332 OH TYR A 21 -6.745 -15.888 85.486 1.00 0.00 O ATOM 0 H TYR A 21 -1.660 -19.040 86.036 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.566 -19.903 83.455 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.911 -17.509 84.385 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.533 -17.681 82.755 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.971 -17.626 82.314 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -2.410 -17.061 86.277 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.168 -16.747 83.053 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.608 -16.175 87.015 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.698 -15.643 86.434 1.00 0.00 H new ATOM 342 N VAL A 22 0.707 -19.867 83.924 1.00 0.00 N ATOM 343 CA VAL A 22 1.987 -20.386 83.358 1.00 0.00 C ATOM 344 C VAL A 22 2.029 -21.910 83.458 1.00 0.00 C ATOM 345 O VAL A 22 2.614 -22.578 82.629 1.00 0.00 O ATOM 346 CB VAL A 22 3.143 -19.769 84.141 1.00 0.00 C ATOM 347 CG1 VAL A 22 4.468 -20.436 83.764 1.00 0.00 C ATOM 348 CG2 VAL A 22 3.200 -18.277 83.816 1.00 0.00 C ATOM 0 H VAL A 22 0.800 -19.376 84.813 1.00 0.00 H new ATOM 0 HA VAL A 22 2.067 -20.116 82.305 1.00 0.00 H new ATOM 0 HB VAL A 22 2.983 -19.919 85.209 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.279 -19.982 84.333 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.417 -21.501 83.992 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.653 -20.301 82.698 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.020 -17.816 84.366 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.360 -18.144 82.746 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.260 -17.806 84.104 1.00 0.00 H new ATOM 358 N ALA A 23 1.404 -22.471 84.456 1.00 0.00 N ATOM 359 CA ALA A 23 1.409 -23.950 84.584 1.00 0.00 C ATOM 360 C ALA A 23 0.899 -24.524 83.269 1.00 0.00 C ATOM 361 O ALA A 23 1.165 -25.655 82.909 1.00 0.00 O ATOM 362 CB ALA A 23 0.471 -24.355 85.723 1.00 0.00 C ATOM 0 H ALA A 23 0.893 -21.970 85.183 1.00 0.00 H new ATOM 0 HA ALA A 23 2.410 -24.323 84.800 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.469 -25.440 85.824 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.814 -23.905 86.654 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.539 -24.009 85.503 1.00 0.00 H new ATOM 368 N LYS A 24 0.175 -23.722 82.545 1.00 0.00 N ATOM 369 CA LYS A 24 -0.371 -24.154 81.248 1.00 0.00 C ATOM 370 C LYS A 24 0.758 -24.583 80.305 1.00 0.00 C ATOM 371 O LYS A 24 1.061 -25.753 80.189 1.00 0.00 O ATOM 372 CB LYS A 24 -1.127 -22.985 80.633 1.00 0.00 C ATOM 373 CG LYS A 24 -1.847 -23.485 79.393 1.00 0.00 C ATOM 374 CD LYS A 24 -2.692 -22.367 78.791 1.00 0.00 C ATOM 375 CE LYS A 24 -3.754 -21.903 79.799 1.00 0.00 C ATOM 376 NZ LYS A 24 -4.948 -21.404 79.059 1.00 0.00 N ATOM 0 H LYS A 24 -0.062 -22.766 82.810 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.036 -25.005 81.399 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.841 -22.576 81.348 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.438 -22.181 80.374 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.122 -23.839 78.660 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.482 -24.334 79.649 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.054 -21.529 78.512 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.175 -22.717 77.879 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.036 -22.728 80.454 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.350 -21.115 80.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.670 -21.089 79.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.672 -20.606 78.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.336 -22.169 78.471 1.00 0.00 H new ATOM 390 N GLY A 25 1.380 -23.655 79.622 1.00 0.00 N ATOM 391 CA GLY A 25 2.478 -24.042 78.686 1.00 0.00 C ATOM 392 C GLY A 25 3.496 -22.904 78.510 1.00 0.00 C ATOM 393 O GLY A 25 3.478 -22.183 77.532 1.00 0.00 O ATOM 0 H GLY A 25 1.178 -22.656 79.671 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.985 -24.929 79.065 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.055 -24.306 77.717 1.00 0.00 H new ATOM 397 N GLU A 26 4.395 -22.776 79.447 1.00 0.00 N ATOM 398 CA GLU A 26 5.472 -21.730 79.378 1.00 0.00 C ATOM 399 C GLU A 26 5.009 -20.475 78.623 1.00 0.00 C ATOM 400 O GLU A 26 5.520 -20.157 77.566 1.00 0.00 O ATOM 401 CB GLU A 26 6.716 -22.308 78.694 1.00 0.00 C ATOM 402 CG GLU A 26 6.307 -23.083 77.440 1.00 0.00 C ATOM 403 CD GLU A 26 7.561 -23.530 76.685 1.00 0.00 C ATOM 404 OE1 GLU A 26 8.226 -24.435 77.164 1.00 0.00 O ATOM 405 OE2 GLU A 26 7.834 -22.964 75.641 1.00 0.00 O ATOM 0 H GLU A 26 4.434 -23.364 80.280 1.00 0.00 H new ATOM 0 HA GLU A 26 5.709 -21.436 80.401 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.402 -21.504 78.428 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.247 -22.966 79.382 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.707 -23.950 77.715 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.687 -22.457 76.798 1.00 0.00 H new ATOM 412 N ASP A 27 4.074 -19.748 79.170 1.00 0.00 N ATOM 413 CA ASP A 27 3.597 -18.496 78.509 1.00 0.00 C ATOM 414 C ASP A 27 4.092 -17.308 79.335 1.00 0.00 C ATOM 415 O ASP A 27 3.387 -16.340 79.548 1.00 0.00 O ATOM 416 CB ASP A 27 2.068 -18.493 78.480 1.00 0.00 C ATOM 417 CG ASP A 27 1.576 -19.411 77.362 1.00 0.00 C ATOM 418 OD1 ASP A 27 1.466 -20.601 77.604 1.00 0.00 O ATOM 419 OD2 ASP A 27 1.315 -18.907 76.281 1.00 0.00 O ATOM 0 H ASP A 27 3.615 -19.968 80.054 1.00 0.00 H new ATOM 0 HA ASP A 27 3.975 -18.433 77.489 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.675 -18.829 79.440 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.699 -17.480 78.321 1.00 0.00 H new ATOM 424 N VAL A 28 5.293 -17.398 79.828 1.00 0.00 N ATOM 425 CA VAL A 28 5.848 -16.312 80.678 1.00 0.00 C ATOM 426 C VAL A 28 6.361 -15.164 79.817 1.00 0.00 C ATOM 427 O VAL A 28 7.527 -14.815 79.819 1.00 0.00 O ATOM 428 CB VAL A 28 6.950 -16.906 81.536 1.00 0.00 C ATOM 429 CG1 VAL A 28 6.298 -17.940 82.456 1.00 0.00 C ATOM 430 CG2 VAL A 28 8.003 -17.591 80.651 1.00 0.00 C ATOM 0 H VAL A 28 5.921 -18.187 79.676 1.00 0.00 H new ATOM 0 HA VAL A 28 5.072 -15.897 81.321 1.00 0.00 H new ATOM 0 HB VAL A 28 7.448 -16.127 82.112 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.059 -18.392 83.092 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.548 -17.452 83.079 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.822 -18.714 81.854 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.788 -18.013 81.279 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.532 -18.388 80.075 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.438 -16.859 79.970 1.00 0.00 H new ATOM 440 N ASN A 29 5.460 -14.576 79.100 1.00 0.00 N ATOM 441 CA ASN A 29 5.774 -13.439 78.208 1.00 0.00 C ATOM 442 C ASN A 29 4.431 -12.797 77.874 1.00 0.00 C ATOM 443 O ASN A 29 4.075 -12.615 76.728 1.00 0.00 O ATOM 444 CB ASN A 29 6.423 -13.966 76.921 1.00 0.00 C ATOM 445 CG ASN A 29 7.560 -14.936 77.253 1.00 0.00 C ATOM 446 OD1 ASN A 29 8.720 -14.590 77.164 1.00 0.00 O ATOM 447 ND2 ASN A 29 7.268 -16.149 77.625 1.00 0.00 N ATOM 0 H ASN A 29 4.477 -14.848 79.095 1.00 0.00 H new ATOM 0 HA ASN A 29 6.460 -12.731 78.673 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.675 -14.469 76.309 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.808 -13.133 76.333 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.014 -16.810 77.842 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.293 -16.439 77.700 1.00 0.00 H new ATOM 454 N ARG A 30 3.660 -12.509 78.896 1.00 0.00 N ATOM 455 CA ARG A 30 2.300 -11.935 78.690 1.00 0.00 C ATOM 456 C ARG A 30 2.256 -10.461 79.078 1.00 0.00 C ATOM 457 O ARG A 30 2.309 -10.103 80.239 1.00 0.00 O ATOM 458 CB ARG A 30 1.304 -12.701 79.561 1.00 0.00 C ATOM 459 CG ARG A 30 1.263 -14.173 79.132 1.00 0.00 C ATOM 460 CD ARG A 30 0.205 -14.382 78.040 1.00 0.00 C ATOM 461 NE ARG A 30 -1.139 -14.538 78.668 1.00 0.00 N ATOM 462 CZ ARG A 30 -2.223 -14.443 77.941 1.00 0.00 C ATOM 463 NH1 ARG A 30 -2.135 -14.256 76.652 1.00 0.00 N ATOM 464 NH2 ARG A 30 -3.396 -14.548 78.503 1.00 0.00 N ATOM 0 H ARG A 30 3.921 -12.650 79.872 1.00 0.00 H new ATOM 0 HA ARG A 30 2.045 -12.023 77.634 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.592 -12.626 80.610 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.312 -12.258 79.470 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.242 -14.478 78.762 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.037 -14.803 79.992 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.201 -13.533 77.356 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.447 -15.266 77.450 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.214 -14.720 79.669 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.219 -14.184 76.209 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.982 -14.182 76.088 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.468 -14.704 79.508 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.241 -14.474 77.937 1.00 0.00 H new ATOM 478 N THR A 31 2.113 -9.612 78.112 1.00 0.00 N ATOM 479 CA THR A 31 2.011 -8.161 78.403 1.00 0.00 C ATOM 480 C THR A 31 0.734 -7.924 79.212 1.00 0.00 C ATOM 481 O THR A 31 -0.268 -7.492 78.680 1.00 0.00 O ATOM 482 CB THR A 31 1.925 -7.395 77.083 1.00 0.00 C ATOM 483 OG1 THR A 31 3.016 -7.762 76.251 1.00 0.00 O ATOM 484 CG2 THR A 31 1.966 -5.890 77.348 1.00 0.00 C ATOM 0 H THR A 31 2.062 -9.860 77.124 1.00 0.00 H new ATOM 0 HA THR A 31 2.881 -7.820 78.965 1.00 0.00 H new ATOM 0 HB THR A 31 0.987 -7.643 76.586 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.960 -7.272 75.404 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.904 -5.352 76.402 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.124 -5.609 77.981 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.899 -5.634 77.850 1.00 0.00 H new ATOM 492 N LEU A 32 0.740 -8.226 80.484 1.00 0.00 N ATOM 493 CA LEU A 32 -0.507 -8.025 81.274 1.00 0.00 C ATOM 494 C LEU A 32 -0.811 -6.531 81.376 1.00 0.00 C ATOM 495 O LEU A 32 -1.937 -6.132 81.591 1.00 0.00 O ATOM 496 CB LEU A 32 -0.405 -8.677 82.676 1.00 0.00 C ATOM 497 CG LEU A 32 0.601 -7.975 83.620 1.00 0.00 C ATOM 498 CD1 LEU A 32 1.971 -7.845 82.952 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.086 -6.590 84.060 1.00 0.00 C ATOM 0 H LEU A 32 1.538 -8.596 81.001 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.330 -8.519 80.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.391 -8.671 83.142 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.113 -9.721 82.561 1.00 0.00 H new ATOM 0 HG LEU A 32 0.704 -8.595 84.511 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.662 -7.349 83.633 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.352 -8.836 82.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.876 -7.257 82.039 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.816 -6.124 84.722 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.061 -5.961 83.182 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.861 -6.705 84.587 1.00 0.00 H new ATOM 511 N GLU A 33 0.175 -5.700 81.187 1.00 0.00 N ATOM 512 CA GLU A 33 -0.071 -4.232 81.245 1.00 0.00 C ATOM 513 C GLU A 33 -0.589 -3.747 79.885 1.00 0.00 C ATOM 514 O GLU A 33 -1.777 -3.713 79.631 1.00 0.00 O ATOM 515 CB GLU A 33 1.236 -3.516 81.600 1.00 0.00 C ATOM 516 CG GLU A 33 0.970 -2.023 81.807 1.00 0.00 C ATOM 517 CD GLU A 33 0.143 -1.824 83.078 1.00 0.00 C ATOM 518 OE1 GLU A 33 0.420 -2.503 84.053 1.00 0.00 O ATOM 519 OE2 GLU A 33 -0.754 -0.999 83.055 1.00 0.00 O ATOM 0 H GLU A 33 1.139 -5.973 80.995 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.818 -4.010 82.007 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.663 -3.947 82.505 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.967 -3.658 80.804 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.913 -1.482 81.886 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.439 -1.615 80.947 1.00 0.00 H new ATOM 526 N GLY A 34 0.301 -3.377 79.009 1.00 0.00 N ATOM 527 CA GLY A 34 -0.104 -2.894 77.657 1.00 0.00 C ATOM 528 C GLY A 34 1.130 -2.916 76.764 1.00 0.00 C ATOM 529 O GLY A 34 1.049 -2.995 75.554 1.00 0.00 O ATOM 0 H GLY A 34 1.308 -3.388 79.173 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.886 -3.530 77.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.513 -1.885 77.719 1.00 0.00 H new ATOM 533 N GLY A 35 2.279 -2.854 77.376 1.00 0.00 N ATOM 534 CA GLY A 35 3.552 -2.872 76.609 1.00 0.00 C ATOM 535 C GLY A 35 4.703 -3.245 77.550 1.00 0.00 C ATOM 536 O GLY A 35 5.846 -2.905 77.313 1.00 0.00 O ATOM 0 H GLY A 35 2.390 -2.791 78.388 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.488 -3.590 75.792 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.735 -1.895 76.161 1.00 0.00 H new ATOM 540 N ARG A 36 4.402 -3.950 78.615 1.00 0.00 N ATOM 541 CA ARG A 36 5.462 -4.369 79.585 1.00 0.00 C ATOM 542 C ARG A 36 5.443 -5.904 79.712 1.00 0.00 C ATOM 543 O ARG A 36 4.914 -6.592 78.862 1.00 0.00 O ATOM 544 CB ARG A 36 5.190 -3.733 80.954 1.00 0.00 C ATOM 545 CG ARG A 36 4.735 -2.282 80.773 1.00 0.00 C ATOM 546 CD ARG A 36 4.626 -1.611 82.146 1.00 0.00 C ATOM 547 NE ARG A 36 5.982 -1.492 82.756 1.00 0.00 N ATOM 548 CZ ARG A 36 6.179 -0.686 83.767 1.00 0.00 C ATOM 549 NH1 ARG A 36 5.198 0.041 84.226 1.00 0.00 N ATOM 550 NH2 ARG A 36 7.361 -0.608 84.317 1.00 0.00 N ATOM 0 H ARG A 36 3.459 -4.255 78.855 1.00 0.00 H new ATOM 0 HA ARG A 36 6.439 -4.041 79.229 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.424 -4.300 81.483 1.00 0.00 H new ATOM 0 HB3 ARG A 36 6.091 -3.767 81.566 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.445 -1.742 80.147 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.772 -2.252 80.263 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.174 -0.624 82.044 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.974 -2.195 82.796 1.00 0.00 H new ATOM 0 HE ARG A 36 6.757 -2.040 82.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.275 -0.018 83.796 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.354 0.669 85.015 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.129 -1.175 83.958 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.516 0.020 85.106 1.00 0.00 H new ATOM 564 N LYS A 37 6.030 -6.444 80.757 1.00 0.00 N ATOM 565 CA LYS A 37 6.064 -7.938 80.934 1.00 0.00 C ATOM 566 C LYS A 37 5.728 -8.288 82.408 1.00 0.00 C ATOM 567 O LYS A 37 5.517 -7.389 83.193 1.00 0.00 O ATOM 568 CB LYS A 37 7.463 -8.424 80.521 1.00 0.00 C ATOM 569 CG LYS A 37 8.460 -8.371 81.693 1.00 0.00 C ATOM 570 CD LYS A 37 8.548 -6.958 82.301 1.00 0.00 C ATOM 571 CE LYS A 37 9.229 -5.989 81.326 1.00 0.00 C ATOM 572 NZ LYS A 37 10.495 -6.589 80.818 1.00 0.00 N ATOM 0 H LYS A 37 6.489 -5.914 81.498 1.00 0.00 H new ATOM 0 HA LYS A 37 5.322 -8.437 80.311 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.396 -9.446 80.147 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.834 -7.808 79.701 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.155 -9.080 82.463 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.446 -8.680 81.347 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.548 -6.597 82.541 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.107 -6.993 83.236 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.561 -5.768 80.493 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.439 -5.044 81.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.220 -5.848 80.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.824 -7.320 81.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.326 -7.018 79.886 1.00 0.00 H new ATOM 586 N PRO A 38 5.638 -9.569 82.758 1.00 0.00 N ATOM 587 CA PRO A 38 5.280 -9.955 84.142 1.00 0.00 C ATOM 588 C PRO A 38 6.523 -10.101 85.058 1.00 0.00 C ATOM 589 O PRO A 38 6.509 -10.881 85.993 1.00 0.00 O ATOM 590 CB PRO A 38 4.631 -11.340 83.949 1.00 0.00 C ATOM 591 CG PRO A 38 5.138 -11.889 82.583 1.00 0.00 C ATOM 592 CD PRO A 38 5.828 -10.716 81.846 1.00 0.00 C ATOM 0 HA PRO A 38 4.646 -9.209 84.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.906 -12.012 84.762 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.544 -11.261 83.954 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.836 -12.712 82.734 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.308 -12.279 81.993 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.885 -10.919 81.672 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.374 -10.533 80.872 1.00 0.00 H new ATOM 600 N LEU A 39 7.582 -9.352 84.833 1.00 0.00 N ATOM 601 CA LEU A 39 8.795 -9.471 85.730 1.00 0.00 C ATOM 602 C LEU A 39 8.979 -8.193 86.548 1.00 0.00 C ATOM 603 O LEU A 39 9.635 -8.191 87.570 1.00 0.00 O ATOM 604 CB LEU A 39 10.042 -9.675 84.868 1.00 0.00 C ATOM 605 CG LEU A 39 11.304 -9.976 85.720 1.00 0.00 C ATOM 606 CD1 LEU A 39 11.012 -10.898 86.916 1.00 0.00 C ATOM 607 CD2 LEU A 39 12.331 -10.662 84.821 1.00 0.00 C ATOM 0 H LEU A 39 7.664 -8.670 84.079 1.00 0.00 H new ATOM 0 HA LEU A 39 8.650 -10.317 86.402 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.870 -10.498 84.174 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.216 -8.782 84.268 1.00 0.00 H new ATOM 0 HG LEU A 39 11.670 -9.030 86.118 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.932 -11.073 87.474 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.276 -10.427 87.568 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.621 -11.849 86.555 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.229 -10.884 85.398 1.00 0.00 H new ATOM 0 HD22 LEU A 39 11.911 -11.589 84.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.587 -10.003 83.992 1.00 0.00 H new ATOM 619 N HIS A 40 8.430 -7.098 86.104 1.00 0.00 N ATOM 620 CA HIS A 40 8.613 -5.833 86.865 1.00 0.00 C ATOM 621 C HIS A 40 7.830 -5.903 88.171 1.00 0.00 C ATOM 622 O HIS A 40 8.326 -5.561 89.225 1.00 0.00 O ATOM 623 CB HIS A 40 8.102 -4.656 86.037 1.00 0.00 C ATOM 624 CG HIS A 40 8.561 -3.377 86.674 1.00 0.00 C ATOM 625 ND1 HIS A 40 9.620 -2.641 86.169 1.00 0.00 N ATOM 626 CD2 HIS A 40 8.123 -2.695 87.781 1.00 0.00 C ATOM 627 CE1 HIS A 40 9.782 -1.569 86.965 1.00 0.00 C ATOM 628 NE2 HIS A 40 8.895 -1.553 87.963 1.00 0.00 N ATOM 0 H HIS A 40 7.868 -7.024 85.256 1.00 0.00 H new ATOM 0 HA HIS A 40 9.673 -5.696 87.080 1.00 0.00 H new ATOM 0 HB2 HIS A 40 8.476 -4.723 85.015 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.014 -4.679 85.980 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.303 -2.999 88.415 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.538 -0.813 86.815 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.804 -0.854 88.700 1.00 0.00 H new ATOM 636 N TYR A 41 6.612 -6.350 88.111 1.00 0.00 N ATOM 637 CA TYR A 41 5.799 -6.450 89.350 1.00 0.00 C ATOM 638 C TYR A 41 6.365 -7.560 90.221 1.00 0.00 C ATOM 639 O TYR A 41 6.484 -7.428 91.422 1.00 0.00 O ATOM 640 CB TYR A 41 4.367 -6.782 88.970 1.00 0.00 C ATOM 641 CG TYR A 41 3.993 -5.958 87.775 1.00 0.00 C ATOM 642 CD1 TYR A 41 4.311 -6.412 86.494 1.00 0.00 C ATOM 643 CD2 TYR A 41 3.337 -4.737 87.947 1.00 0.00 C ATOM 644 CE1 TYR A 41 3.963 -5.650 85.377 1.00 0.00 C ATOM 645 CE2 TYR A 41 2.989 -3.972 86.832 1.00 0.00 C ATOM 646 CZ TYR A 41 3.304 -4.428 85.545 1.00 0.00 C ATOM 647 OH TYR A 41 2.957 -3.678 84.442 1.00 0.00 O ATOM 0 H TYR A 41 6.143 -6.651 87.257 1.00 0.00 H new ATOM 0 HA TYR A 41 5.824 -5.507 89.897 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.271 -7.844 88.744 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.695 -6.571 89.802 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.826 -7.353 86.367 1.00 0.00 H new ATOM 0 HD2 TYR A 41 3.099 -4.385 88.940 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.202 -6.004 84.385 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.477 -3.030 86.961 1.00 0.00 H new ATOM 0 HH TYR A 41 2.033 -3.365 84.537 1.00 0.00 H new ATOM 657 N ALA A 42 6.745 -8.647 89.617 1.00 0.00 N ATOM 658 CA ALA A 42 7.330 -9.753 90.405 1.00 0.00 C ATOM 659 C ALA A 42 8.616 -9.217 91.012 1.00 0.00 C ATOM 660 O ALA A 42 8.761 -9.093 92.211 1.00 0.00 O ATOM 661 CB ALA A 42 7.648 -10.921 89.464 1.00 0.00 C ATOM 0 H ALA A 42 6.675 -8.814 88.613 1.00 0.00 H new ATOM 0 HA ALA A 42 6.648 -10.104 91.179 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.080 -11.742 90.036 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.731 -11.259 88.981 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.359 -10.594 88.705 1.00 0.00 H new ATOM 667 N ALA A 43 9.529 -8.854 90.174 1.00 0.00 N ATOM 668 CA ALA A 43 10.809 -8.285 90.654 1.00 0.00 C ATOM 669 C ALA A 43 10.533 -7.166 91.674 1.00 0.00 C ATOM 670 O ALA A 43 10.955 -7.229 92.812 1.00 0.00 O ATOM 671 CB ALA A 43 11.528 -7.696 89.440 1.00 0.00 C ATOM 0 H ALA A 43 9.445 -8.927 89.160 1.00 0.00 H new ATOM 0 HA ALA A 43 11.414 -9.053 91.135 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.479 -7.265 89.754 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.710 -8.483 88.708 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.908 -6.919 88.992 1.00 0.00 H new ATOM 677 N ASP A 44 9.843 -6.137 91.261 1.00 0.00 N ATOM 678 CA ASP A 44 9.550 -4.987 92.173 1.00 0.00 C ATOM 679 C ASP A 44 8.852 -5.439 93.467 1.00 0.00 C ATOM 680 O ASP A 44 9.131 -4.925 94.531 1.00 0.00 O ATOM 681 CB ASP A 44 8.654 -3.988 91.440 1.00 0.00 C ATOM 682 CG ASP A 44 8.511 -2.716 92.277 1.00 0.00 C ATOM 683 OD1 ASP A 44 8.120 -2.828 93.427 1.00 0.00 O ATOM 684 OD2 ASP A 44 8.794 -1.651 91.751 1.00 0.00 O ATOM 0 H ASP A 44 9.464 -6.041 90.319 1.00 0.00 H new ATOM 0 HA ASP A 44 10.498 -4.527 92.451 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.081 -3.748 90.466 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.673 -4.428 91.259 1.00 0.00 H new ATOM 689 N CYS A 45 7.942 -6.372 93.399 1.00 0.00 N ATOM 690 CA CYS A 45 7.238 -6.805 94.647 1.00 0.00 C ATOM 691 C CYS A 45 6.681 -8.210 94.452 1.00 0.00 C ATOM 692 O CYS A 45 5.487 -8.434 94.514 1.00 0.00 O ATOM 693 CB CYS A 45 6.065 -5.864 94.928 1.00 0.00 C ATOM 694 SG CYS A 45 6.671 -4.181 95.208 1.00 0.00 S ATOM 0 H CYS A 45 7.655 -6.851 92.545 1.00 0.00 H new ATOM 0 HA CYS A 45 7.944 -6.786 95.477 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.371 -5.874 94.087 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.512 -6.210 95.801 1.00 0.00 H new ATOM 0 HG CYS A 45 7.678 -3.945 94.420 1.00 0.00 H new ATOM 700 N GLY A 46 7.545 -9.152 94.208 1.00 0.00 N ATOM 701 CA GLY A 46 7.095 -10.557 93.989 1.00 0.00 C ATOM 702 C GLY A 46 7.572 -11.448 95.134 1.00 0.00 C ATOM 703 O GLY A 46 7.897 -12.601 94.933 1.00 0.00 O ATOM 0 H GLY A 46 8.553 -9.010 94.150 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.008 -10.592 93.920 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.486 -10.929 93.042 1.00 0.00 H new ATOM 707 N GLN A 47 7.627 -10.939 96.334 1.00 0.00 N ATOM 708 CA GLN A 47 8.096 -11.792 97.460 1.00 0.00 C ATOM 709 C GLN A 47 9.401 -12.476 97.040 1.00 0.00 C ATOM 710 O GLN A 47 9.863 -13.419 97.652 1.00 0.00 O ATOM 711 CB GLN A 47 7.024 -12.825 97.781 1.00 0.00 C ATOM 712 CG GLN A 47 5.896 -12.155 98.571 1.00 0.00 C ATOM 713 CD GLN A 47 5.400 -10.890 97.852 1.00 0.00 C ATOM 714 OE1 GLN A 47 5.233 -9.859 98.471 1.00 0.00 O ATOM 715 NE2 GLN A 47 5.142 -10.921 96.570 1.00 0.00 N ATOM 0 H GLN A 47 7.371 -9.983 96.581 1.00 0.00 H new ATOM 0 HA GLN A 47 8.278 -11.192 98.352 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.632 -13.257 96.860 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.453 -13.643 98.360 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.070 -12.854 98.697 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.249 -11.896 99.569 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.280 -11.783 96.043 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.803 -10.083 96.098 1.00 0.00 H new ATOM 724 N LEU A 48 9.992 -11.957 95.997 1.00 0.00 N ATOM 725 CA LEU A 48 11.292 -12.471 95.475 1.00 0.00 C ATOM 726 C LEU A 48 11.209 -13.961 95.093 1.00 0.00 C ATOM 727 O LEU A 48 12.190 -14.584 94.724 1.00 0.00 O ATOM 728 CB LEU A 48 12.364 -12.226 96.532 1.00 0.00 C ATOM 729 CG LEU A 48 12.888 -10.750 96.496 1.00 0.00 C ATOM 730 CD1 LEU A 48 12.027 -9.797 95.628 1.00 0.00 C ATOM 731 CD2 LEU A 48 12.929 -10.188 97.923 1.00 0.00 C ATOM 0 H LEU A 48 9.614 -11.171 95.468 1.00 0.00 H new ATOM 0 HA LEU A 48 11.548 -11.938 94.559 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.957 -12.444 97.520 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.196 -12.911 96.372 1.00 0.00 H new ATOM 0 HG LEU A 48 13.879 -10.795 96.045 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.455 -8.795 95.654 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.010 -10.157 94.599 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.010 -9.768 96.019 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.293 -9.161 97.899 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.927 -10.208 98.351 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.596 -10.796 98.534 1.00 0.00 H new ATOM 743 N GLU A 49 10.042 -14.516 95.125 1.00 0.00 N ATOM 744 CA GLU A 49 9.858 -15.933 94.701 1.00 0.00 C ATOM 745 C GLU A 49 9.266 -15.918 93.293 1.00 0.00 C ATOM 746 O GLU A 49 9.593 -16.727 92.445 1.00 0.00 O ATOM 747 CB GLU A 49 8.892 -16.640 95.650 1.00 0.00 C ATOM 748 CG GLU A 49 7.826 -15.645 96.098 1.00 0.00 C ATOM 749 CD GLU A 49 6.726 -16.380 96.864 1.00 0.00 C ATOM 750 OE1 GLU A 49 6.004 -17.139 96.242 1.00 0.00 O ATOM 751 OE2 GLU A 49 6.626 -16.169 98.061 1.00 0.00 O ATOM 0 H GLU A 49 9.189 -14.047 95.431 1.00 0.00 H new ATOM 0 HA GLU A 49 10.811 -16.462 94.718 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.428 -17.491 95.151 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.430 -17.031 96.514 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.273 -14.878 96.731 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.402 -15.137 95.232 1.00 0.00 H new ATOM 758 N ILE A 50 8.379 -14.994 93.057 1.00 0.00 N ATOM 759 CA ILE A 50 7.722 -14.896 91.733 1.00 0.00 C ATOM 760 C ILE A 50 8.752 -14.616 90.632 1.00 0.00 C ATOM 761 O ILE A 50 8.759 -15.273 89.612 1.00 0.00 O ATOM 762 CB ILE A 50 6.672 -13.768 91.767 1.00 0.00 C ATOM 763 CG1 ILE A 50 5.731 -13.962 93.006 1.00 0.00 C ATOM 764 CG2 ILE A 50 5.907 -13.772 90.440 1.00 0.00 C ATOM 765 CD1 ILE A 50 4.225 -13.852 92.670 1.00 0.00 C ATOM 0 H ILE A 50 8.080 -14.295 93.737 1.00 0.00 H new ATOM 0 HA ILE A 50 7.236 -15.846 91.511 1.00 0.00 H new ATOM 0 HB ILE A 50 7.147 -12.793 91.878 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.925 -14.939 93.448 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.981 -13.216 93.760 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.160 -12.979 90.449 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.603 -13.606 89.618 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.413 -14.735 90.308 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.638 -13.997 93.577 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.016 -12.865 92.257 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.959 -14.616 91.939 1.00 0.00 H new ATOM 777 N LEU A 51 9.614 -13.647 90.798 1.00 0.00 N ATOM 778 CA LEU A 51 10.583 -13.373 89.700 1.00 0.00 C ATOM 779 C LEU A 51 11.268 -14.682 89.279 1.00 0.00 C ATOM 780 O LEU A 51 11.286 -15.031 88.117 1.00 0.00 O ATOM 781 CB LEU A 51 11.633 -12.299 90.067 1.00 0.00 C ATOM 782 CG LEU A 51 11.821 -12.073 91.576 1.00 0.00 C ATOM 783 CD1 LEU A 51 10.525 -11.582 92.236 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.329 -13.358 92.236 1.00 0.00 C ATOM 0 H LEU A 51 9.688 -13.050 91.622 1.00 0.00 H new ATOM 0 HA LEU A 51 10.016 -12.965 88.863 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.592 -12.585 89.634 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.344 -11.355 89.605 1.00 0.00 H new ATOM 0 HG LEU A 51 12.567 -11.291 91.718 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.694 -11.433 93.302 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.220 -10.640 91.781 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.740 -12.325 92.094 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.460 -13.191 93.305 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.605 -14.158 92.080 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.284 -13.641 91.793 1.00 0.00 H new ATOM 796 N GLU A 52 11.816 -15.410 90.202 1.00 0.00 N ATOM 797 CA GLU A 52 12.480 -16.695 89.844 1.00 0.00 C ATOM 798 C GLU A 52 11.500 -17.613 89.091 1.00 0.00 C ATOM 799 O GLU A 52 11.895 -18.405 88.257 1.00 0.00 O ATOM 800 CB GLU A 52 12.931 -17.400 91.135 1.00 0.00 C ATOM 801 CG GLU A 52 14.421 -17.156 91.379 1.00 0.00 C ATOM 802 CD GLU A 52 15.240 -18.052 90.448 1.00 0.00 C ATOM 803 OE1 GLU A 52 14.993 -19.246 90.442 1.00 0.00 O ATOM 804 OE2 GLU A 52 16.099 -17.527 89.760 1.00 0.00 O ATOM 0 H GLU A 52 11.835 -15.174 91.194 1.00 0.00 H new ATOM 0 HA GLU A 52 13.337 -16.486 89.203 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.352 -17.030 91.981 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.738 -18.470 91.060 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.664 -16.108 91.200 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.670 -17.368 92.419 1.00 0.00 H new ATOM 811 N PHE A 53 10.232 -17.544 89.397 1.00 0.00 N ATOM 812 CA PHE A 53 9.254 -18.448 88.727 1.00 0.00 C ATOM 813 C PHE A 53 9.158 -18.182 87.220 1.00 0.00 C ATOM 814 O PHE A 53 9.749 -18.873 86.420 1.00 0.00 O ATOM 815 CB PHE A 53 7.868 -18.276 89.358 1.00 0.00 C ATOM 816 CG PHE A 53 6.858 -19.090 88.578 1.00 0.00 C ATOM 817 CD1 PHE A 53 7.018 -20.478 88.457 1.00 0.00 C ATOM 818 CD2 PHE A 53 5.770 -18.458 87.963 1.00 0.00 C ATOM 819 CE1 PHE A 53 6.092 -21.229 87.725 1.00 0.00 C ATOM 820 CE2 PHE A 53 4.842 -19.210 87.234 1.00 0.00 C ATOM 821 CZ PHE A 53 5.005 -20.596 87.112 1.00 0.00 C ATOM 0 H PHE A 53 9.832 -16.902 90.081 1.00 0.00 H new ATOM 0 HA PHE A 53 9.610 -19.469 88.866 1.00 0.00 H new ATOM 0 HB2 PHE A 53 7.887 -18.600 90.399 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.583 -17.224 89.356 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.857 -20.968 88.929 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.647 -17.389 88.052 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.216 -22.298 87.633 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.000 -18.722 86.765 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.292 -21.176 86.545 1.00 0.00 H new ATOM 831 N LEU A 54 8.364 -17.231 86.829 1.00 0.00 N ATOM 832 CA LEU A 54 8.163 -16.970 85.376 1.00 0.00 C ATOM 833 C LEU A 54 9.497 -16.773 84.630 1.00 0.00 C ATOM 834 O LEU A 54 9.533 -16.713 83.418 1.00 0.00 O ATOM 835 CB LEU A 54 7.220 -15.766 85.216 1.00 0.00 C ATOM 836 CG LEU A 54 7.889 -14.414 85.541 1.00 0.00 C ATOM 837 CD1 LEU A 54 8.733 -14.531 86.797 1.00 0.00 C ATOM 838 CD2 LEU A 54 8.764 -13.914 84.379 1.00 0.00 C ATOM 0 H LEU A 54 7.841 -16.618 87.455 1.00 0.00 H new ATOM 0 HA LEU A 54 7.703 -17.844 84.916 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.846 -15.741 84.192 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.357 -15.901 85.868 1.00 0.00 H new ATOM 0 HG LEU A 54 7.091 -13.689 85.701 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.198 -13.569 87.013 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.100 -14.825 87.635 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.507 -15.283 86.646 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.216 -12.960 84.649 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.548 -14.643 84.175 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.148 -13.785 83.489 1.00 0.00 H new ATOM 850 N LEU A 55 10.590 -16.718 85.341 1.00 0.00 N ATOM 851 CA LEU A 55 11.921 -16.562 84.685 1.00 0.00 C ATOM 852 C LEU A 55 12.544 -17.944 84.489 1.00 0.00 C ATOM 853 O LEU A 55 13.095 -18.253 83.449 1.00 0.00 O ATOM 854 CB LEU A 55 12.809 -15.709 85.596 1.00 0.00 C ATOM 855 CG LEU A 55 13.982 -15.091 84.823 1.00 0.00 C ATOM 856 CD1 LEU A 55 14.805 -14.215 85.780 1.00 0.00 C ATOM 857 CD2 LEU A 55 14.879 -16.193 84.240 1.00 0.00 C ATOM 0 H LEU A 55 10.619 -16.775 86.359 1.00 0.00 H new ATOM 0 HA LEU A 55 11.819 -16.078 83.714 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.213 -14.917 86.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.193 -16.324 86.410 1.00 0.00 H new ATOM 0 HG LEU A 55 13.592 -14.487 84.003 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.641 -13.772 85.239 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.173 -13.424 86.183 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.186 -14.827 86.597 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.706 -15.738 83.695 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.272 -16.808 85.049 1.00 0.00 H new ATOM 0 HD23 LEU A 55 14.296 -16.816 83.562 1.00 0.00 H new ATOM 869 N LEU A 56 12.461 -18.789 85.475 1.00 0.00 N ATOM 870 CA LEU A 56 13.058 -20.138 85.314 1.00 0.00 C ATOM 871 C LEU A 56 12.386 -20.832 84.129 1.00 0.00 C ATOM 872 O LEU A 56 13.008 -21.592 83.413 1.00 0.00 O ATOM 873 CB LEU A 56 12.936 -20.959 86.617 1.00 0.00 C ATOM 874 CG LEU A 56 11.512 -21.527 86.814 1.00 0.00 C ATOM 875 CD1 LEU A 56 11.418 -22.948 86.237 1.00 0.00 C ATOM 876 CD2 LEU A 56 11.186 -21.594 88.317 1.00 0.00 C ATOM 0 H LEU A 56 12.012 -18.607 86.373 1.00 0.00 H new ATOM 0 HA LEU A 56 14.125 -20.050 85.109 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.654 -21.779 86.597 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.196 -20.329 87.468 1.00 0.00 H new ATOM 0 HG LEU A 56 10.807 -20.874 86.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.409 -23.334 86.383 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.646 -22.924 85.171 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.132 -23.595 86.746 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.182 -21.995 88.454 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.906 -22.241 88.817 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.239 -20.593 88.746 1.00 0.00 H new ATOM 888 N LYS A 57 11.143 -20.530 83.876 1.00 0.00 N ATOM 889 CA LYS A 57 10.464 -21.129 82.697 1.00 0.00 C ATOM 890 C LYS A 57 11.067 -20.448 81.467 1.00 0.00 C ATOM 891 O LYS A 57 12.190 -20.718 81.087 1.00 0.00 O ATOM 892 CB LYS A 57 8.956 -20.851 82.771 1.00 0.00 C ATOM 893 CG LYS A 57 8.271 -21.885 83.678 1.00 0.00 C ATOM 894 CD LYS A 57 7.818 -23.102 82.859 1.00 0.00 C ATOM 895 CE LYS A 57 7.264 -24.174 83.807 1.00 0.00 C ATOM 896 NZ LYS A 57 6.348 -25.083 83.060 1.00 0.00 N ATOM 0 H LYS A 57 10.571 -19.896 84.434 1.00 0.00 H new ATOM 0 HA LYS A 57 10.602 -22.210 82.658 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.782 -19.846 83.156 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.522 -20.889 81.772 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.959 -22.202 84.462 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.412 -21.432 84.172 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.054 -22.807 82.140 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.656 -23.503 82.288 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.083 -24.746 84.243 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.730 -23.702 84.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.975 -25.808 83.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.559 -24.533 82.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.870 -25.544 82.287 1.00 0.00 H new ATOM 910 N GLY A 58 10.366 -19.526 80.875 1.00 0.00 N ATOM 911 CA GLY A 58 10.952 -18.802 79.721 1.00 0.00 C ATOM 912 C GLY A 58 12.101 -17.956 80.270 1.00 0.00 C ATOM 913 O GLY A 58 12.990 -18.471 80.920 1.00 0.00 O ATOM 0 H GLY A 58 9.421 -19.245 81.138 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.313 -19.502 78.968 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.204 -18.173 79.239 1.00 0.00 H new ATOM 917 N ALA A 59 12.094 -16.669 80.054 1.00 0.00 N ATOM 918 CA ALA A 59 13.196 -15.836 80.611 1.00 0.00 C ATOM 919 C ALA A 59 13.143 -14.426 80.050 1.00 0.00 C ATOM 920 O ALA A 59 13.955 -14.031 79.232 1.00 0.00 O ATOM 921 CB ALA A 59 14.543 -16.479 80.296 1.00 0.00 C ATOM 0 H ALA A 59 11.384 -16.164 79.524 1.00 0.00 H new ATOM 0 HA ALA A 59 13.073 -15.777 81.692 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.344 -15.864 80.706 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.584 -17.473 80.741 1.00 0.00 H new ATOM 0 HB3 ALA A 59 14.664 -16.559 79.216 1.00 0.00 H new ATOM 927 N ASP A 60 12.217 -13.653 80.526 1.00 0.00 N ATOM 928 CA ASP A 60 12.127 -12.250 80.078 1.00 0.00 C ATOM 929 C ASP A 60 13.252 -11.484 80.766 1.00 0.00 C ATOM 930 O ASP A 60 13.363 -10.279 80.668 1.00 0.00 O ATOM 931 CB ASP A 60 10.779 -11.668 80.486 1.00 0.00 C ATOM 932 CG ASP A 60 10.588 -10.331 79.780 1.00 0.00 C ATOM 933 OD1 ASP A 60 11.260 -9.386 80.159 1.00 0.00 O ATOM 934 OD2 ASP A 60 9.781 -10.273 78.869 1.00 0.00 O ATOM 0 H ASP A 60 11.516 -13.937 81.210 1.00 0.00 H new ATOM 0 HA ASP A 60 12.218 -12.179 78.994 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.975 -12.354 80.219 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.737 -11.534 81.567 1.00 0.00 H new ATOM 939 N ILE A 61 14.079 -12.202 81.471 1.00 0.00 N ATOM 940 CA ILE A 61 15.220 -11.582 82.199 1.00 0.00 C ATOM 941 C ILE A 61 15.941 -10.590 81.290 1.00 0.00 C ATOM 942 O ILE A 61 16.649 -9.710 81.744 1.00 0.00 O ATOM 943 CB ILE A 61 16.190 -12.706 82.574 1.00 0.00 C ATOM 944 CG1 ILE A 61 17.348 -12.161 83.427 1.00 0.00 C ATOM 945 CG2 ILE A 61 16.738 -13.319 81.284 1.00 0.00 C ATOM 946 CD1 ILE A 61 18.432 -13.236 83.603 1.00 0.00 C ATOM 0 H ILE A 61 14.011 -13.214 81.575 1.00 0.00 H new ATOM 0 HA ILE A 61 14.863 -11.055 83.083 1.00 0.00 H new ATOM 0 HB ILE A 61 15.666 -13.461 83.160 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.775 -11.278 82.951 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.975 -11.848 84.402 1.00 0.00 H new ATOM 0 HG21 ILE A 61 17.432 -14.123 81.529 1.00 0.00 H new ATOM 0 HG22 ILE A 61 15.914 -13.719 80.693 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.259 -12.553 80.710 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.246 -12.837 84.209 1.00 0.00 H new ATOM 0 HD12 ILE A 61 18.004 -14.107 84.099 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.817 -13.528 82.626 1.00 0.00 H new ATOM 958 N ASN A 62 15.779 -10.740 80.008 1.00 0.00 N ATOM 959 CA ASN A 62 16.475 -9.836 79.055 1.00 0.00 C ATOM 960 C ASN A 62 15.573 -9.517 77.852 1.00 0.00 C ATOM 961 O ASN A 62 15.662 -8.456 77.269 1.00 0.00 O ATOM 962 CB ASN A 62 17.753 -10.538 78.575 1.00 0.00 C ATOM 963 CG ASN A 62 17.396 -11.884 77.935 1.00 0.00 C ATOM 964 OD1 ASN A 62 17.936 -12.249 76.910 1.00 0.00 O ATOM 965 ND2 ASN A 62 16.499 -12.641 78.507 1.00 0.00 N ATOM 0 H ASN A 62 15.191 -11.454 79.577 1.00 0.00 H new ATOM 0 HA ASN A 62 16.719 -8.897 79.552 1.00 0.00 H new ATOM 0 HB2 ASN A 62 18.276 -9.909 77.854 1.00 0.00 H new ATOM 0 HB3 ASN A 62 18.431 -10.692 79.414 1.00 0.00 H new ATOM 0 HD21 ASN A 62 16.251 -13.540 78.093 1.00 0.00 H new ATOM 0 HD22 ASN A 62 16.046 -12.334 79.368 1.00 0.00 H new ATOM 972 N ALA A 63 14.712 -10.435 77.484 1.00 0.00 N ATOM 973 CA ALA A 63 13.792 -10.234 76.302 1.00 0.00 C ATOM 974 C ALA A 63 13.660 -8.749 75.880 1.00 0.00 C ATOM 975 O ALA A 63 13.973 -8.432 74.752 1.00 0.00 O ATOM 976 CB ALA A 63 12.397 -10.818 76.591 1.00 0.00 C ATOM 0 H ALA A 63 14.601 -11.332 77.956 1.00 0.00 H new ATOM 0 HA ALA A 63 14.249 -10.767 75.468 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.751 -10.662 75.727 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.484 -11.886 76.791 1.00 0.00 H new ATOM 0 HB3 ALA A 63 11.967 -10.320 77.460 1.00 0.00 H new ATOM 982 N PRO A 64 13.186 -7.880 76.763 1.00 0.00 N ATOM 983 CA PRO A 64 12.995 -6.453 76.490 1.00 0.00 C ATOM 984 C PRO A 64 13.563 -5.947 75.165 1.00 0.00 C ATOM 985 O PRO A 64 14.707 -6.173 74.810 1.00 0.00 O ATOM 986 CB PRO A 64 13.607 -5.823 77.732 1.00 0.00 C ATOM 987 CG PRO A 64 13.326 -6.857 78.868 1.00 0.00 C ATOM 988 CD PRO A 64 12.853 -8.161 78.165 1.00 0.00 C ATOM 0 HA PRO A 64 11.949 -6.189 76.333 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.676 -5.652 77.606 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.153 -4.857 77.953 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.223 -7.038 79.460 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.563 -6.485 79.552 1.00 0.00 H new ATOM 0 HD2 PRO A 64 13.374 -9.041 78.541 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.787 -8.338 78.305 1.00 0.00 H new ATOM 996 N ASP A 65 12.728 -5.233 74.457 1.00 0.00 N ATOM 997 CA ASP A 65 13.106 -4.630 73.156 1.00 0.00 C ATOM 998 C ASP A 65 12.463 -3.244 73.117 1.00 0.00 C ATOM 999 O ASP A 65 13.109 -2.250 72.861 1.00 0.00 O ATOM 1000 CB ASP A 65 12.569 -5.479 71.996 1.00 0.00 C ATOM 1001 CG ASP A 65 13.459 -6.710 71.799 1.00 0.00 C ATOM 1002 OD1 ASP A 65 14.668 -6.548 71.803 1.00 0.00 O ATOM 1003 OD2 ASP A 65 12.915 -7.790 71.644 1.00 0.00 O ATOM 0 H ASP A 65 11.768 -5.040 74.742 1.00 0.00 H new ATOM 0 HA ASP A 65 14.190 -4.574 73.055 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.545 -5.789 72.204 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.544 -4.887 71.081 1.00 0.00 H new ATOM 1008 N LYS A 66 11.188 -3.182 73.405 1.00 0.00 N ATOM 1009 CA LYS A 66 10.476 -1.885 73.426 1.00 0.00 C ATOM 1010 C LYS A 66 10.600 -1.269 74.827 1.00 0.00 C ATOM 1011 O LYS A 66 10.566 -0.065 74.993 1.00 0.00 O ATOM 1012 CB LYS A 66 9.010 -2.141 73.099 1.00 0.00 C ATOM 1013 CG LYS A 66 8.355 -0.846 72.631 1.00 0.00 C ATOM 1014 CD LYS A 66 8.601 -0.617 71.132 1.00 0.00 C ATOM 1015 CE LYS A 66 7.608 0.428 70.608 1.00 0.00 C ATOM 1016 NZ LYS A 66 7.717 1.674 71.421 1.00 0.00 N ATOM 0 H LYS A 66 10.609 -3.991 73.629 1.00 0.00 H new ATOM 0 HA LYS A 66 10.903 -1.198 72.696 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.928 -2.903 72.323 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.493 -2.525 73.978 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.283 -0.885 72.826 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.752 -0.006 73.201 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.624 -0.278 70.967 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.484 -1.553 70.586 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.814 0.646 69.560 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.592 0.036 70.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.304 2.470 70.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.205 1.549 72.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.718 1.873 71.619 1.00 0.00 H new ATOM 1030 N HIS A 67 10.759 -2.090 75.832 1.00 0.00 N ATOM 1031 CA HIS A 67 10.900 -1.569 77.221 1.00 0.00 C ATOM 1032 C HIS A 67 12.327 -1.052 77.403 1.00 0.00 C ATOM 1033 O HIS A 67 12.677 -0.492 78.424 1.00 0.00 O ATOM 1034 CB HIS A 67 10.636 -2.707 78.215 1.00 0.00 C ATOM 1035 CG HIS A 67 9.608 -3.646 77.647 1.00 0.00 C ATOM 1036 ND1 HIS A 67 8.661 -3.228 76.727 1.00 0.00 N ATOM 1037 CD2 HIS A 67 9.373 -4.985 77.846 1.00 0.00 C ATOM 1038 CE1 HIS A 67 7.906 -4.295 76.409 1.00 0.00 C ATOM 1039 NE2 HIS A 67 8.297 -5.392 77.063 1.00 0.00 N ATOM 0 H HIS A 67 10.797 -3.106 75.748 1.00 0.00 H new ATOM 0 HA HIS A 67 10.187 -0.764 77.397 1.00 0.00 H new ATOM 0 HB2 HIS A 67 11.561 -3.246 78.420 1.00 0.00 H new ATOM 0 HB3 HIS A 67 10.287 -2.300 79.164 1.00 0.00 H new ATOM 0 HD2 HIS A 67 9.937 -5.624 78.509 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.083 -4.268 75.710 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.894 -6.327 77.002 1.00 0.00 H new ATOM 1047 N HIS A 68 13.145 -1.243 76.407 1.00 0.00 N ATOM 1048 CA HIS A 68 14.560 -0.788 76.474 1.00 0.00 C ATOM 1049 C HIS A 68 15.133 -1.019 77.877 1.00 0.00 C ATOM 1050 O HIS A 68 15.953 -0.252 78.345 1.00 0.00 O ATOM 1051 CB HIS A 68 14.658 0.707 76.112 1.00 0.00 C ATOM 1052 CG HIS A 68 13.519 1.478 76.725 1.00 0.00 C ATOM 1053 ND1 HIS A 68 12.303 1.637 76.079 1.00 0.00 N ATOM 1054 CD2 HIS A 68 13.403 2.158 77.914 1.00 0.00 C ATOM 1055 CE1 HIS A 68 11.515 2.382 76.876 1.00 0.00 C ATOM 1056 NE2 HIS A 68 12.136 2.727 78.007 1.00 0.00 N ATOM 0 H HIS A 68 12.887 -1.704 75.534 1.00 0.00 H new ATOM 0 HA HIS A 68 15.140 -1.368 75.756 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.608 1.110 76.464 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.643 0.826 75.029 1.00 0.00 H new ATOM 0 HD1 HIS A 68 12.051 1.258 75.166 1.00 0.00 H new ATOM 0 HD2 HIS A 68 14.177 2.239 78.662 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.502 2.667 76.631 1.00 0.00 H new ATOM 1064 N ILE A 69 14.754 -2.083 78.552 1.00 0.00 N ATOM 1065 CA ILE A 69 15.353 -2.306 79.898 1.00 0.00 C ATOM 1066 C ILE A 69 15.357 -3.763 80.309 1.00 0.00 C ATOM 1067 O ILE A 69 14.675 -4.632 79.788 1.00 0.00 O ATOM 1068 CB ILE A 69 14.661 -1.427 80.982 1.00 0.00 C ATOM 1069 CG1 ILE A 69 15.708 -0.458 81.566 1.00 0.00 C ATOM 1070 CG2 ILE A 69 14.033 -2.242 82.143 1.00 0.00 C ATOM 1071 CD1 ILE A 69 16.841 -1.222 82.276 1.00 0.00 C ATOM 0 H ILE A 69 14.079 -2.781 78.238 1.00 0.00 H new ATOM 0 HA ILE A 69 16.396 -1.999 79.819 1.00 0.00 H new ATOM 0 HB ILE A 69 13.842 -0.902 80.490 1.00 0.00 H new ATOM 0 HG12 ILE A 69 16.125 0.155 80.767 1.00 0.00 H new ATOM 0 HG13 ILE A 69 15.226 0.220 82.270 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.571 -1.561 82.857 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.277 -2.919 81.745 1.00 0.00 H new ATOM 0 HG23 ILE A 69 14.810 -2.820 82.644 1.00 0.00 H new ATOM 0 HD11 ILE A 69 17.563 -0.511 82.677 1.00 0.00 H new ATOM 0 HD12 ILE A 69 16.425 -1.815 83.090 1.00 0.00 H new ATOM 0 HD13 ILE A 69 17.337 -1.881 81.564 1.00 0.00 H new ATOM 1083 N THR A 70 16.184 -3.967 81.258 1.00 0.00 N ATOM 1084 CA THR A 70 16.428 -5.257 81.890 1.00 0.00 C ATOM 1085 C THR A 70 15.867 -5.093 83.297 1.00 0.00 C ATOM 1086 O THR A 70 16.377 -4.308 84.057 1.00 0.00 O ATOM 1087 CB THR A 70 17.958 -5.421 81.890 1.00 0.00 C ATOM 1088 OG1 THR A 70 18.493 -5.013 83.135 1.00 0.00 O ATOM 1089 CG2 THR A 70 18.537 -4.518 80.810 1.00 0.00 C ATOM 0 H THR A 70 16.752 -3.218 81.655 1.00 0.00 H new ATOM 0 HA THR A 70 15.978 -6.126 81.410 1.00 0.00 H new ATOM 0 HB THR A 70 18.208 -6.467 81.710 1.00 0.00 H new ATOM 0 HG1 THR A 70 19.472 -5.047 83.097 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.622 -4.620 80.794 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.131 -4.805 79.840 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.273 -3.482 81.022 1.00 0.00 H new ATOM 1097 N PRO A 71 14.774 -5.749 83.582 1.00 0.00 N ATOM 1098 CA PRO A 71 14.072 -5.583 84.872 1.00 0.00 C ATOM 1099 C PRO A 71 14.953 -5.890 86.082 1.00 0.00 C ATOM 1100 O PRO A 71 14.580 -5.608 87.201 1.00 0.00 O ATOM 1101 CB PRO A 71 12.888 -6.550 84.783 1.00 0.00 C ATOM 1102 CG PRO A 71 12.741 -6.918 83.291 1.00 0.00 C ATOM 1103 CD PRO A 71 14.118 -6.690 82.658 1.00 0.00 C ATOM 0 HA PRO A 71 13.767 -4.548 85.024 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.066 -7.440 85.387 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.977 -6.085 85.161 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.426 -7.955 83.175 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.984 -6.299 82.810 1.00 0.00 H new ATOM 0 HD2 PRO A 71 14.678 -7.621 82.570 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.034 -6.273 81.654 1.00 0.00 H new ATOM 1111 N LEU A 72 16.119 -6.418 85.901 1.00 0.00 N ATOM 1112 CA LEU A 72 16.961 -6.653 87.091 1.00 0.00 C ATOM 1113 C LEU A 72 17.142 -5.284 87.764 1.00 0.00 C ATOM 1114 O LEU A 72 17.197 -5.164 88.974 1.00 0.00 O ATOM 1115 CB LEU A 72 18.320 -7.268 86.701 1.00 0.00 C ATOM 1116 CG LEU A 72 18.252 -8.073 85.380 1.00 0.00 C ATOM 1117 CD1 LEU A 72 17.104 -9.105 85.377 1.00 0.00 C ATOM 1118 CD2 LEU A 72 18.113 -7.107 84.201 1.00 0.00 C ATOM 0 H LEU A 72 16.519 -6.692 85.004 1.00 0.00 H new ATOM 0 HA LEU A 72 16.492 -7.365 87.770 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.059 -6.473 86.600 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.663 -7.922 87.503 1.00 0.00 H new ATOM 0 HG LEU A 72 19.179 -8.639 85.285 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.100 -9.642 84.429 1.00 0.00 H new ATOM 0 HD12 LEU A 72 17.248 -9.812 86.194 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.152 -8.590 85.506 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.065 -7.673 83.271 1.00 0.00 H new ATOM 0 HD22 LEU A 72 17.201 -6.521 84.316 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.973 -6.438 84.175 1.00 0.00 H new ATOM 1130 N LEU A 73 17.165 -4.247 86.971 1.00 0.00 N ATOM 1131 CA LEU A 73 17.265 -2.870 87.517 1.00 0.00 C ATOM 1132 C LEU A 73 15.948 -2.536 88.186 1.00 0.00 C ATOM 1133 O LEU A 73 15.862 -1.663 89.027 1.00 0.00 O ATOM 1134 CB LEU A 73 17.485 -1.865 86.381 1.00 0.00 C ATOM 1135 CG LEU A 73 18.901 -2.003 85.821 1.00 0.00 C ATOM 1136 CD1 LEU A 73 18.913 -3.073 84.731 1.00 0.00 C ATOM 1137 CD2 LEU A 73 19.345 -0.658 85.236 1.00 0.00 C ATOM 0 H LEU A 73 17.118 -4.300 85.953 1.00 0.00 H new ATOM 0 HA LEU A 73 18.098 -2.816 88.218 1.00 0.00 H new ATOM 0 HB2 LEU A 73 16.755 -2.034 85.589 1.00 0.00 H new ATOM 0 HB3 LEU A 73 17.328 -0.851 86.748 1.00 0.00 H new ATOM 0 HG LEU A 73 19.587 -2.295 86.616 1.00 0.00 H new ATOM 0 HD11 LEU A 73 19.922 -3.173 84.330 1.00 0.00 H new ATOM 0 HD12 LEU A 73 18.594 -4.026 85.153 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.232 -2.785 83.931 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.354 -0.751 84.835 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.663 -0.366 84.438 1.00 0.00 H new ATOM 0 HD23 LEU A 73 19.334 0.101 86.019 1.00 0.00 H new ATOM 1149 N SER A 74 14.907 -3.210 87.806 1.00 0.00 N ATOM 1150 CA SER A 74 13.595 -2.910 88.424 1.00 0.00 C ATOM 1151 C SER A 74 13.678 -3.100 89.949 1.00 0.00 C ATOM 1152 O SER A 74 13.292 -2.233 90.715 1.00 0.00 O ATOM 1153 CB SER A 74 12.519 -3.823 87.829 1.00 0.00 C ATOM 1154 OG SER A 74 11.243 -3.374 88.261 1.00 0.00 O ATOM 0 H SER A 74 14.906 -3.948 87.102 1.00 0.00 H new ATOM 0 HA SER A 74 13.328 -1.874 88.216 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.574 -3.810 86.740 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.683 -4.853 88.145 1.00 0.00 H new ATOM 0 HG SER A 74 11.350 -2.589 88.838 1.00 0.00 H new ATOM 1160 N ALA A 75 14.184 -4.219 90.392 1.00 0.00 N ATOM 1161 CA ALA A 75 14.290 -4.472 91.873 1.00 0.00 C ATOM 1162 C ALA A 75 15.305 -3.526 92.509 1.00 0.00 C ATOM 1163 O ALA A 75 15.211 -3.189 93.673 1.00 0.00 O ATOM 1164 CB ALA A 75 14.737 -5.917 92.113 1.00 0.00 C ATOM 0 H ALA A 75 14.531 -4.973 89.799 1.00 0.00 H new ATOM 0 HA ALA A 75 13.313 -4.300 92.325 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.814 -6.101 93.185 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.007 -6.600 91.679 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.709 -6.080 91.646 1.00 0.00 H new ATOM 1170 N VAL A 76 16.278 -3.099 91.763 1.00 0.00 N ATOM 1171 CA VAL A 76 17.303 -2.179 92.326 1.00 0.00 C ATOM 1172 C VAL A 76 16.627 -1.036 93.066 1.00 0.00 C ATOM 1173 O VAL A 76 16.733 -0.910 94.269 1.00 0.00 O ATOM 1174 CB VAL A 76 18.135 -1.630 91.171 1.00 0.00 C ATOM 1175 CG1 VAL A 76 19.031 -0.469 91.632 1.00 0.00 C ATOM 1176 CG2 VAL A 76 18.979 -2.777 90.627 1.00 0.00 C ATOM 0 H VAL A 76 16.411 -3.347 90.783 1.00 0.00 H new ATOM 0 HA VAL A 76 17.941 -2.714 93.029 1.00 0.00 H new ATOM 0 HB VAL A 76 17.480 -1.234 90.395 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.611 -0.099 90.787 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.410 0.336 92.025 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.708 -0.819 92.411 1.00 0.00 H new ATOM 0 HG21 VAL A 76 19.588 -2.419 89.797 1.00 0.00 H new ATOM 0 HG22 VAL A 76 19.628 -3.157 91.416 1.00 0.00 H new ATOM 0 HG23 VAL A 76 18.325 -3.576 90.278 1.00 0.00 H new ATOM 1186 N TYR A 77 15.936 -0.197 92.360 1.00 0.00 N ATOM 1187 CA TYR A 77 15.268 0.940 93.037 1.00 0.00 C ATOM 1188 C TYR A 77 14.141 0.411 93.938 1.00 0.00 C ATOM 1189 O TYR A 77 13.096 1.016 94.045 1.00 0.00 O ATOM 1190 CB TYR A 77 14.680 1.897 91.990 1.00 0.00 C ATOM 1191 CG TYR A 77 15.480 1.842 90.705 1.00 0.00 C ATOM 1192 CD1 TYR A 77 16.575 2.697 90.522 1.00 0.00 C ATOM 1193 CD2 TYR A 77 15.115 0.947 89.692 1.00 0.00 C ATOM 1194 CE1 TYR A 77 17.303 2.653 89.325 1.00 0.00 C ATOM 1195 CE2 TYR A 77 15.842 0.905 88.498 1.00 0.00 C ATOM 1196 CZ TYR A 77 16.937 1.757 88.316 1.00 0.00 C ATOM 1197 OH TYR A 77 17.657 1.715 87.140 1.00 0.00 O ATOM 0 H TYR A 77 15.804 -0.247 91.350 1.00 0.00 H new ATOM 0 HA TYR A 77 15.999 1.476 93.643 1.00 0.00 H new ATOM 0 HB2 TYR A 77 13.642 1.631 91.790 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.679 2.915 92.380 1.00 0.00 H new ATOM 0 HD1 TYR A 77 16.858 3.389 91.302 1.00 0.00 H new ATOM 0 HD2 TYR A 77 14.271 0.288 89.833 1.00 0.00 H new ATOM 0 HE1 TYR A 77 18.147 3.311 89.182 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.558 0.215 87.717 1.00 0.00 H new ATOM 0 HH TYR A 77 17.042 1.765 86.378 1.00 0.00 H new ATOM 1207 N GLU A 78 14.340 -0.717 94.581 1.00 0.00 N ATOM 1208 CA GLU A 78 13.266 -1.280 95.461 1.00 0.00 C ATOM 1209 C GLU A 78 13.809 -1.491 96.878 1.00 0.00 C ATOM 1210 O GLU A 78 13.099 -1.378 97.858 1.00 0.00 O ATOM 1211 CB GLU A 78 12.848 -2.642 94.900 1.00 0.00 C ATOM 1212 CG GLU A 78 11.419 -2.978 95.329 1.00 0.00 C ATOM 1213 CD GLU A 78 10.448 -2.064 94.582 1.00 0.00 C ATOM 1214 OE1 GLU A 78 10.784 -1.645 93.485 1.00 0.00 O ATOM 1215 OE2 GLU A 78 9.385 -1.798 95.116 1.00 0.00 O ATOM 0 H GLU A 78 15.196 -1.269 94.534 1.00 0.00 H new ATOM 0 HA GLU A 78 12.422 -0.591 95.491 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.915 -2.631 93.812 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.532 -3.414 95.253 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.196 -4.023 95.111 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.308 -2.846 96.405 1.00 0.00 H new ATOM 1222 N GLY A 79 15.059 -1.844 96.977 1.00 0.00 N ATOM 1223 CA GLY A 79 15.658 -2.125 98.305 1.00 0.00 C ATOM 1224 C GLY A 79 15.546 -3.628 98.530 1.00 0.00 C ATOM 1225 O GLY A 79 16.032 -4.166 99.504 1.00 0.00 O ATOM 0 H GLY A 79 15.695 -1.950 96.186 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.700 -1.806 98.334 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.135 -1.577 99.089 1.00 0.00 H new ATOM 1229 N HIS A 80 14.915 -4.309 97.604 1.00 0.00 N ATOM 1230 CA HIS A 80 14.768 -5.785 97.730 1.00 0.00 C ATOM 1231 C HIS A 80 16.091 -6.420 97.343 1.00 0.00 C ATOM 1232 O HIS A 80 16.723 -7.094 98.134 1.00 0.00 O ATOM 1233 CB HIS A 80 13.682 -6.260 96.766 1.00 0.00 C ATOM 1234 CG HIS A 80 12.344 -6.210 97.447 1.00 0.00 C ATOM 1235 ND1 HIS A 80 11.546 -7.331 97.557 1.00 0.00 N ATOM 1236 CD2 HIS A 80 11.647 -5.189 98.043 1.00 0.00 C ATOM 1237 CE1 HIS A 80 10.426 -6.974 98.197 1.00 0.00 C ATOM 1238 NE2 HIS A 80 10.432 -5.676 98.519 1.00 0.00 N ATOM 0 H HIS A 80 14.497 -3.902 96.767 1.00 0.00 H new ATOM 0 HA HIS A 80 14.495 -6.060 98.749 1.00 0.00 H new ATOM 0 HB2 HIS A 80 13.672 -5.631 95.876 1.00 0.00 H new ATOM 0 HB3 HIS A 80 13.895 -7.277 96.435 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.987 -4.168 98.129 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.616 -7.651 98.425 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.704 -5.155 99.008 1.00 0.00 H new ATOM 1246 N VAL A 81 16.523 -6.167 96.142 1.00 0.00 N ATOM 1247 CA VAL A 81 17.825 -6.692 95.661 1.00 0.00 C ATOM 1248 C VAL A 81 18.158 -8.046 96.309 1.00 0.00 C ATOM 1249 O VAL A 81 19.288 -8.503 96.321 1.00 0.00 O ATOM 1250 CB VAL A 81 18.886 -5.616 95.923 1.00 0.00 C ATOM 1251 CG1 VAL A 81 18.847 -4.583 94.772 1.00 0.00 C ATOM 1252 CG2 VAL A 81 18.558 -4.887 97.232 1.00 0.00 C ATOM 0 H VAL A 81 16.015 -5.605 95.459 1.00 0.00 H new ATOM 0 HA VAL A 81 17.789 -6.896 94.591 1.00 0.00 H new ATOM 0 HB VAL A 81 19.869 -6.082 95.988 1.00 0.00 H new ATOM 0 HG11 VAL A 81 19.598 -3.813 94.949 1.00 0.00 H new ATOM 0 HG12 VAL A 81 19.056 -5.084 93.827 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.860 -4.124 94.729 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.311 -4.122 97.421 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.577 -4.419 97.152 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.553 -5.602 98.055 1.00 0.00 H new ATOM 1262 N SER A 82 17.144 -8.739 96.743 1.00 0.00 N ATOM 1263 CA SER A 82 17.340 -10.109 97.258 1.00 0.00 C ATOM 1264 C SER A 82 17.225 -10.967 96.007 1.00 0.00 C ATOM 1265 O SER A 82 17.769 -12.052 95.899 1.00 0.00 O ATOM 1266 CB SER A 82 16.254 -10.449 98.285 1.00 0.00 C ATOM 1267 OG SER A 82 16.800 -11.298 99.285 1.00 0.00 O ATOM 0 H SER A 82 16.180 -8.406 96.761 1.00 0.00 H new ATOM 0 HA SER A 82 18.288 -10.256 97.776 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.868 -9.536 98.738 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.414 -10.941 97.794 1.00 0.00 H new ATOM 0 HG SER A 82 16.108 -11.515 99.944 1.00 0.00 H new ATOM 1273 N CYS A 83 16.525 -10.425 95.033 1.00 0.00 N ATOM 1274 CA CYS A 83 16.349 -11.110 93.728 1.00 0.00 C ATOM 1275 C CYS A 83 17.568 -10.822 92.827 1.00 0.00 C ATOM 1276 O CYS A 83 18.110 -11.727 92.228 1.00 0.00 O ATOM 1277 CB CYS A 83 15.063 -10.611 93.050 1.00 0.00 C ATOM 1278 SG CYS A 83 15.362 -9.019 92.237 1.00 0.00 S ATOM 0 H CYS A 83 16.063 -9.518 95.099 1.00 0.00 H new ATOM 0 HA CYS A 83 16.269 -12.185 93.889 1.00 0.00 H new ATOM 0 HB2 CYS A 83 14.721 -11.343 92.318 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.270 -10.506 93.790 1.00 0.00 H new ATOM 0 HG CYS A 83 14.447 -8.812 91.337 1.00 0.00 H new ATOM 1284 N VAL A 84 18.015 -9.575 92.727 1.00 0.00 N ATOM 1285 CA VAL A 84 19.215 -9.282 91.858 1.00 0.00 C ATOM 1286 C VAL A 84 20.271 -10.337 92.147 1.00 0.00 C ATOM 1287 O VAL A 84 20.813 -10.954 91.253 1.00 0.00 O ATOM 1288 CB VAL A 84 19.822 -7.898 92.158 1.00 0.00 C ATOM 1289 CG1 VAL A 84 18.803 -6.794 91.873 1.00 0.00 C ATOM 1290 CG2 VAL A 84 20.263 -7.837 93.622 1.00 0.00 C ATOM 0 H VAL A 84 17.609 -8.767 93.199 1.00 0.00 H new ATOM 0 HA VAL A 84 18.896 -9.293 90.816 1.00 0.00 H new ATOM 0 HB VAL A 84 20.687 -7.745 91.513 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.248 -5.823 92.090 1.00 0.00 H new ATOM 0 HG12 VAL A 84 18.509 -6.832 90.824 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.924 -6.939 92.501 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.692 -6.857 93.832 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.401 -8.002 94.269 1.00 0.00 H new ATOM 0 HG23 VAL A 84 21.010 -8.608 93.809 1.00 0.00 H new ATOM 1300 N LYS A 85 20.554 -10.560 93.401 1.00 0.00 N ATOM 1301 CA LYS A 85 21.553 -11.592 93.759 1.00 0.00 C ATOM 1302 C LYS A 85 21.094 -12.921 93.156 1.00 0.00 C ATOM 1303 O LYS A 85 21.801 -13.580 92.417 1.00 0.00 O ATOM 1304 CB LYS A 85 21.615 -11.689 95.292 1.00 0.00 C ATOM 1305 CG LYS A 85 22.875 -10.989 95.807 1.00 0.00 C ATOM 1306 CD LYS A 85 22.734 -10.711 97.303 1.00 0.00 C ATOM 1307 CE LYS A 85 23.988 -9.994 97.798 1.00 0.00 C ATOM 1308 NZ LYS A 85 25.132 -10.948 97.801 1.00 0.00 N ATOM 0 H LYS A 85 20.133 -10.069 94.190 1.00 0.00 H new ATOM 0 HA LYS A 85 22.543 -11.343 93.376 1.00 0.00 H new ATOM 0 HB2 LYS A 85 20.729 -11.230 95.730 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.618 -12.735 95.599 1.00 0.00 H new ATOM 0 HG2 LYS A 85 23.750 -11.613 95.624 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.031 -10.055 95.267 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.852 -10.099 97.490 1.00 0.00 H new ATOM 0 HD3 LYS A 85 22.595 -11.645 97.848 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.211 -9.142 97.155 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.824 -9.602 98.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 25.905 -10.561 98.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.824 -11.858 98.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 25.466 -11.092 96.827 1.00 0.00 H new ATOM 1322 N LEU A 86 19.898 -13.295 93.465 1.00 0.00 N ATOM 1323 CA LEU A 86 19.322 -14.557 92.943 1.00 0.00 C ATOM 1324 C LEU A 86 19.251 -14.521 91.413 1.00 0.00 C ATOM 1325 O LEU A 86 19.123 -15.534 90.758 1.00 0.00 O ATOM 1326 CB LEU A 86 17.900 -14.632 93.498 1.00 0.00 C ATOM 1327 CG LEU A 86 17.472 -16.064 93.756 1.00 0.00 C ATOM 1328 CD1 LEU A 86 16.057 -16.020 94.324 1.00 0.00 C ATOM 1329 CD2 LEU A 86 17.488 -16.861 92.448 1.00 0.00 C ATOM 0 H LEU A 86 19.274 -12.766 94.075 1.00 0.00 H new ATOM 0 HA LEU A 86 19.931 -15.412 93.236 1.00 0.00 H new ATOM 0 HB2 LEU A 86 17.841 -14.062 94.425 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.210 -14.167 92.794 1.00 0.00 H new ATOM 0 HG LEU A 86 18.153 -16.550 94.455 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.713 -17.035 94.523 1.00 0.00 H new ATOM 0 HD12 LEU A 86 16.055 -15.448 95.252 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.390 -15.546 93.604 1.00 0.00 H new ATOM 0 HD21 LEU A 86 17.179 -17.888 92.644 1.00 0.00 H new ATOM 0 HD22 LEU A 86 16.801 -16.405 91.736 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.496 -16.858 92.032 1.00 0.00 H new ATOM 1341 N LEU A 87 19.263 -13.355 90.848 1.00 0.00 N ATOM 1342 CA LEU A 87 19.108 -13.238 89.376 1.00 0.00 C ATOM 1343 C LEU A 87 20.398 -13.522 88.596 1.00 0.00 C ATOM 1344 O LEU A 87 20.427 -14.394 87.749 1.00 0.00 O ATOM 1345 CB LEU A 87 18.615 -11.819 89.074 1.00 0.00 C ATOM 1346 CG LEU A 87 17.205 -11.864 88.483 1.00 0.00 C ATOM 1347 CD1 LEU A 87 16.629 -10.444 88.450 1.00 0.00 C ATOM 1348 CD2 LEU A 87 17.248 -12.445 87.065 1.00 0.00 C ATOM 0 H LEU A 87 19.374 -12.470 91.343 1.00 0.00 H new ATOM 0 HA LEU A 87 18.395 -13.995 89.049 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.616 -11.224 89.987 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.295 -11.331 88.375 1.00 0.00 H new ATOM 0 HG LEU A 87 16.572 -12.500 89.101 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.624 -10.469 88.030 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.589 -10.044 89.463 1.00 0.00 H new ATOM 0 HD13 LEU A 87 17.264 -9.808 87.834 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.239 -12.473 86.653 1.00 0.00 H new ATOM 0 HD22 LEU A 87 17.881 -11.820 86.435 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.655 -13.456 87.098 1.00 0.00 H new ATOM 1360 N LEU A 88 21.444 -12.780 88.808 1.00 0.00 N ATOM 1361 CA LEU A 88 22.657 -13.028 87.994 1.00 0.00 C ATOM 1362 C LEU A 88 23.122 -14.463 88.156 1.00 0.00 C ATOM 1363 O LEU A 88 23.895 -14.971 87.365 1.00 0.00 O ATOM 1364 CB LEU A 88 23.764 -12.026 88.334 1.00 0.00 C ATOM 1365 CG LEU A 88 24.575 -12.399 89.597 1.00 0.00 C ATOM 1366 CD1 LEU A 88 23.648 -12.704 90.781 1.00 0.00 C ATOM 1367 CD2 LEU A 88 25.508 -13.598 89.329 1.00 0.00 C ATOM 0 H LEU A 88 21.512 -12.029 89.494 1.00 0.00 H new ATOM 0 HA LEU A 88 22.405 -12.880 86.944 1.00 0.00 H new ATOM 0 HB2 LEU A 88 24.444 -11.949 87.486 1.00 0.00 H new ATOM 0 HB3 LEU A 88 23.319 -11.041 88.477 1.00 0.00 H new ATOM 0 HG LEU A 88 25.190 -11.536 89.854 1.00 0.00 H new ATOM 0 HD11 LEU A 88 24.247 -12.963 91.654 1.00 0.00 H new ATOM 0 HD12 LEU A 88 23.042 -11.826 91.004 1.00 0.00 H new ATOM 0 HD13 LEU A 88 22.996 -13.540 90.527 1.00 0.00 H new ATOM 0 HD21 LEU A 88 26.064 -13.836 90.236 1.00 0.00 H new ATOM 0 HD22 LEU A 88 24.914 -14.462 89.031 1.00 0.00 H new ATOM 0 HD23 LEU A 88 26.206 -13.345 88.531 1.00 0.00 H new ATOM 1379 N SER A 89 22.629 -15.138 89.143 1.00 0.00 N ATOM 1380 CA SER A 89 23.022 -16.552 89.308 1.00 0.00 C ATOM 1381 C SER A 89 22.630 -17.282 88.022 1.00 0.00 C ATOM 1382 O SER A 89 23.107 -18.359 87.721 1.00 0.00 O ATOM 1383 CB SER A 89 22.285 -17.149 90.507 1.00 0.00 C ATOM 1384 OG SER A 89 22.498 -18.552 90.543 1.00 0.00 O ATOM 0 H SER A 89 21.976 -14.776 89.838 1.00 0.00 H new ATOM 0 HA SER A 89 24.093 -16.648 89.487 1.00 0.00 H new ATOM 0 HB2 SER A 89 22.641 -16.693 91.430 1.00 0.00 H new ATOM 0 HB3 SER A 89 21.219 -16.934 90.436 1.00 0.00 H new ATOM 0 HG SER A 89 22.027 -18.935 91.312 1.00 0.00 H new ATOM 1390 N LYS A 90 21.760 -16.669 87.258 1.00 0.00 N ATOM 1391 CA LYS A 90 21.295 -17.261 85.977 1.00 0.00 C ATOM 1392 C LYS A 90 21.919 -16.494 84.804 1.00 0.00 C ATOM 1393 O LYS A 90 21.997 -16.987 83.695 1.00 0.00 O ATOM 1394 CB LYS A 90 19.773 -17.131 85.929 1.00 0.00 C ATOM 1395 CG LYS A 90 19.150 -18.211 86.824 1.00 0.00 C ATOM 1396 CD LYS A 90 17.920 -17.663 87.556 1.00 0.00 C ATOM 1397 CE LYS A 90 16.891 -17.162 86.544 1.00 0.00 C ATOM 1398 NZ LYS A 90 15.539 -17.212 87.165 1.00 0.00 N ATOM 0 H LYS A 90 21.347 -15.763 87.478 1.00 0.00 H new ATOM 0 HA LYS A 90 21.589 -18.308 85.907 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.469 -16.140 86.267 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.418 -17.241 84.904 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.866 -19.072 86.219 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.886 -18.559 87.549 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.480 -18.442 88.179 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.214 -16.851 88.221 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.128 -16.143 86.239 1.00 0.00 H new ATOM 0 HE3 LYS A 90 16.916 -17.778 85.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.880 -17.699 86.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.590 -17.728 88.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.201 -16.244 87.339 1.00 0.00 H new ATOM 1412 N GLY A 91 22.380 -15.296 85.050 1.00 0.00 N ATOM 1413 CA GLY A 91 23.012 -14.485 83.965 1.00 0.00 C ATOM 1414 C GLY A 91 22.572 -13.024 84.097 1.00 0.00 C ATOM 1415 O GLY A 91 23.099 -12.274 84.893 1.00 0.00 O ATOM 0 H GLY A 91 22.346 -14.841 85.962 1.00 0.00 H new ATOM 0 HA2 GLY A 91 24.098 -14.556 84.029 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.724 -14.876 82.989 1.00 0.00 H new ATOM 1419 N ALA A 92 21.592 -12.625 83.333 1.00 0.00 N ATOM 1420 CA ALA A 92 21.083 -11.223 83.420 1.00 0.00 C ATOM 1421 C ALA A 92 22.223 -10.189 83.295 1.00 0.00 C ATOM 1422 O ALA A 92 21.969 -9.000 83.270 1.00 0.00 O ATOM 1423 CB ALA A 92 20.402 -11.047 84.787 1.00 0.00 C ATOM 0 H ALA A 92 21.118 -13.213 82.647 1.00 0.00 H new ATOM 0 HA ALA A 92 20.387 -11.054 82.599 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.021 -10.030 84.875 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.576 -11.753 84.876 1.00 0.00 H new ATOM 0 HB3 ALA A 92 21.125 -11.234 85.581 1.00 0.00 H new ATOM 1429 N ASP A 93 23.466 -10.612 83.241 1.00 0.00 N ATOM 1430 CA ASP A 93 24.592 -9.620 83.166 1.00 0.00 C ATOM 1431 C ASP A 93 24.238 -8.436 84.055 1.00 0.00 C ATOM 1432 O ASP A 93 23.997 -8.598 85.234 1.00 0.00 O ATOM 1433 CB ASP A 93 24.837 -9.150 81.723 1.00 0.00 C ATOM 1434 CG ASP A 93 26.215 -8.474 81.644 1.00 0.00 C ATOM 1435 OD1 ASP A 93 27.176 -9.076 82.101 1.00 0.00 O ATOM 1436 OD2 ASP A 93 26.286 -7.370 81.131 1.00 0.00 O ATOM 0 H ASP A 93 23.749 -11.592 83.245 1.00 0.00 H new ATOM 0 HA ASP A 93 25.513 -10.094 83.507 1.00 0.00 H new ATOM 0 HB2 ASP A 93 24.794 -9.997 81.039 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.057 -8.453 81.417 1.00 0.00 H new ATOM 1441 N LYS A 94 24.192 -7.255 83.529 1.00 0.00 N ATOM 1442 CA LYS A 94 23.829 -6.103 84.394 1.00 0.00 C ATOM 1443 C LYS A 94 23.509 -4.891 83.520 1.00 0.00 C ATOM 1444 O LYS A 94 22.763 -4.014 83.909 1.00 0.00 O ATOM 1445 CB LYS A 94 24.987 -5.791 85.344 1.00 0.00 C ATOM 1446 CG LYS A 94 24.654 -4.553 86.191 1.00 0.00 C ATOM 1447 CD LYS A 94 23.433 -4.813 87.113 1.00 0.00 C ATOM 1448 CE LYS A 94 22.145 -4.161 86.563 1.00 0.00 C ATOM 1449 NZ LYS A 94 21.188 -3.936 87.691 1.00 0.00 N ATOM 0 H LYS A 94 24.386 -7.034 82.552 1.00 0.00 H new ATOM 0 HA LYS A 94 22.948 -6.349 84.987 1.00 0.00 H new ATOM 0 HB2 LYS A 94 25.176 -6.646 85.993 1.00 0.00 H new ATOM 0 HB3 LYS A 94 25.899 -5.617 84.773 1.00 0.00 H new ATOM 0 HG2 LYS A 94 25.518 -4.281 86.797 1.00 0.00 H new ATOM 0 HG3 LYS A 94 24.444 -3.707 85.536 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.280 -5.887 87.218 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.641 -4.422 88.109 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.381 -3.215 86.076 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.692 -4.803 85.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.227 -4.191 87.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.463 -4.526 88.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.209 -2.934 87.969 1.00 0.00 H new ATOM 1463 N THR A 95 24.059 -4.846 82.335 1.00 0.00 N ATOM 1464 CA THR A 95 23.788 -3.705 81.418 1.00 0.00 C ATOM 1465 C THR A 95 23.336 -4.261 80.068 1.00 0.00 C ATOM 1466 O THR A 95 23.844 -3.889 79.027 1.00 0.00 O ATOM 1467 CB THR A 95 25.066 -2.877 81.241 1.00 0.00 C ATOM 1468 OG1 THR A 95 26.145 -3.730 80.876 1.00 0.00 O ATOM 1469 CG2 THR A 95 25.397 -2.167 82.555 1.00 0.00 C ATOM 0 H THR A 95 24.688 -5.557 81.963 1.00 0.00 H new ATOM 0 HA THR A 95 23.008 -3.066 81.833 1.00 0.00 H new ATOM 0 HB THR A 95 24.912 -2.138 80.455 1.00 0.00 H new ATOM 0 HG1 THR A 95 26.959 -3.197 80.762 1.00 0.00 H new ATOM 0 HG21 THR A 95 26.306 -1.578 82.431 1.00 0.00 H new ATOM 0 HG22 THR A 95 24.573 -1.509 82.831 1.00 0.00 H new ATOM 0 HG23 THR A 95 25.549 -2.907 83.340 1.00 0.00 H new ATOM 1477 N VAL A 96 22.397 -5.170 80.079 1.00 0.00 N ATOM 1478 CA VAL A 96 21.932 -5.768 78.801 1.00 0.00 C ATOM 1479 C VAL A 96 21.076 -4.771 78.007 1.00 0.00 C ATOM 1480 O VAL A 96 20.990 -4.867 76.802 1.00 0.00 O ATOM 1481 CB VAL A 96 21.087 -7.012 79.082 1.00 0.00 C ATOM 1482 CG1 VAL A 96 20.632 -7.618 77.752 1.00 0.00 C ATOM 1483 CG2 VAL A 96 21.911 -8.043 79.856 1.00 0.00 C ATOM 0 H VAL A 96 21.935 -5.521 80.918 1.00 0.00 H new ATOM 0 HA VAL A 96 22.814 -6.032 78.218 1.00 0.00 H new ATOM 0 HB VAL A 96 20.220 -6.732 79.679 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.029 -8.505 77.944 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.038 -6.887 77.204 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.505 -7.894 77.160 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.300 -8.925 80.051 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.783 -8.328 79.267 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.238 -7.612 80.802 1.00 0.00 H new ATOM 1493 N LYS A 97 20.439 -3.815 78.638 1.00 0.00 N ATOM 1494 CA LYS A 97 19.610 -2.857 77.834 1.00 0.00 C ATOM 1495 C LYS A 97 19.369 -1.542 78.588 1.00 0.00 C ATOM 1496 O LYS A 97 18.701 -0.659 78.087 1.00 0.00 O ATOM 1497 CB LYS A 97 18.264 -3.504 77.474 1.00 0.00 C ATOM 1498 CG LYS A 97 17.785 -3.009 76.092 1.00 0.00 C ATOM 1499 CD LYS A 97 18.449 -3.821 74.966 1.00 0.00 C ATOM 1500 CE LYS A 97 17.644 -5.095 74.684 1.00 0.00 C ATOM 1501 NZ LYS A 97 16.419 -4.753 73.906 1.00 0.00 N ATOM 0 H LYS A 97 20.453 -3.656 79.645 1.00 0.00 H new ATOM 0 HA LYS A 97 20.162 -2.624 76.924 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.365 -4.589 77.464 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.521 -3.260 78.233 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.701 -3.100 76.023 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.024 -1.952 75.975 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.514 -3.216 74.062 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.469 -4.082 75.249 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.254 -5.806 74.127 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.368 -5.578 75.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.580 -5.111 74.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.348 -3.720 73.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.473 -5.189 72.963 1.00 0.00 H new ATOM 1515 N GLY A 98 19.909 -1.371 79.760 1.00 0.00 N ATOM 1516 CA GLY A 98 19.695 -0.074 80.463 1.00 0.00 C ATOM 1517 C GLY A 98 20.545 0.984 79.752 1.00 0.00 C ATOM 1518 O GLY A 98 21.398 0.640 78.958 1.00 0.00 O ATOM 0 H GLY A 98 20.479 -2.057 80.256 1.00 0.00 H new ATOM 0 HA2 GLY A 98 18.641 0.204 80.442 1.00 0.00 H new ATOM 0 HA3 GLY A 98 19.982 -0.155 81.511 1.00 0.00 H new ATOM 1522 N PRO A 99 20.307 2.238 80.053 1.00 0.00 N ATOM 1523 CA PRO A 99 21.055 3.349 79.439 1.00 0.00 C ATOM 1524 C PRO A 99 22.516 2.973 79.251 1.00 0.00 C ATOM 1525 O PRO A 99 22.979 2.780 78.144 1.00 0.00 O ATOM 1526 CB PRO A 99 20.874 4.486 80.453 1.00 0.00 C ATOM 1527 CG PRO A 99 19.543 4.183 81.184 1.00 0.00 C ATOM 1528 CD PRO A 99 19.294 2.666 81.036 1.00 0.00 C ATOM 0 HA PRO A 99 20.705 3.621 78.443 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.707 4.522 81.155 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.836 5.454 79.954 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.605 4.465 82.235 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.723 4.755 80.749 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.414 2.146 81.987 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.283 2.459 80.685 1.00 0.00 H new ATOM 1536 N ASP A 100 23.241 2.859 80.308 1.00 0.00 N ATOM 1537 CA ASP A 100 24.663 2.485 80.174 1.00 0.00 C ATOM 1538 C ASP A 100 25.195 2.115 81.551 1.00 0.00 C ATOM 1539 O ASP A 100 24.700 1.213 82.206 1.00 0.00 O ATOM 1540 CB ASP A 100 25.441 3.673 79.599 1.00 0.00 C ATOM 1541 CG ASP A 100 26.862 3.240 79.234 1.00 0.00 C ATOM 1542 OD1 ASP A 100 27.147 2.059 79.344 1.00 0.00 O ATOM 1543 OD2 ASP A 100 27.640 4.096 78.849 1.00 0.00 O ATOM 0 H ASP A 100 22.914 3.008 81.263 1.00 0.00 H new ATOM 0 HA ASP A 100 24.778 1.634 79.502 1.00 0.00 H new ATOM 0 HB2 ASP A 100 24.931 4.059 78.716 1.00 0.00 H new ATOM 0 HB3 ASP A 100 25.475 4.483 80.327 1.00 0.00 H new ATOM 1548 N GLY A 101 26.186 2.811 82.008 1.00 0.00 N ATOM 1549 CA GLY A 101 26.741 2.504 83.345 1.00 0.00 C ATOM 1550 C GLY A 101 25.659 2.726 84.401 1.00 0.00 C ATOM 1551 O GLY A 101 25.891 2.582 85.593 1.00 0.00 O ATOM 0 H GLY A 101 26.637 3.581 81.514 1.00 0.00 H new ATOM 0 HA2 GLY A 101 27.092 1.473 83.378 1.00 0.00 H new ATOM 0 HA3 GLY A 101 27.602 3.141 83.550 1.00 0.00 H new ATOM 1555 N LEU A 102 24.462 3.070 83.988 1.00 0.00 N ATOM 1556 CA LEU A 102 23.402 3.298 85.000 1.00 0.00 C ATOM 1557 C LEU A 102 23.360 2.117 85.914 1.00 0.00 C ATOM 1558 O LEU A 102 23.787 2.180 87.052 1.00 0.00 O ATOM 1559 CB LEU A 102 22.015 3.466 84.379 1.00 0.00 C ATOM 1560 CG LEU A 102 21.034 3.943 85.470 1.00 0.00 C ATOM 1561 CD1 LEU A 102 19.719 4.398 84.838 1.00 0.00 C ATOM 1562 CD2 LEU A 102 20.745 2.833 86.497 1.00 0.00 C ATOM 0 H LEU A 102 24.184 3.199 83.015 1.00 0.00 H new ATOM 0 HA LEU A 102 23.646 4.220 85.527 1.00 0.00 H new ATOM 0 HB2 LEU A 102 22.052 4.188 83.563 1.00 0.00 H new ATOM 0 HB3 LEU A 102 21.676 2.522 83.953 1.00 0.00 H new ATOM 0 HG LEU A 102 21.505 4.779 85.988 1.00 0.00 H new ATOM 0 HD11 LEU A 102 19.036 4.732 85.619 1.00 0.00 H new ATOM 0 HD12 LEU A 102 19.912 5.220 84.149 1.00 0.00 H new ATOM 0 HD13 LEU A 102 19.270 3.567 84.294 1.00 0.00 H new ATOM 0 HD21 LEU A 102 20.050 3.206 87.250 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.305 1.974 85.990 1.00 0.00 H new ATOM 0 HD23 LEU A 102 21.675 2.532 86.979 1.00 0.00 H new ATOM 1574 N THR A 103 22.811 1.042 85.431 1.00 0.00 N ATOM 1575 CA THR A 103 22.684 -0.143 86.284 1.00 0.00 C ATOM 1576 C THR A 103 22.629 0.351 87.717 1.00 0.00 C ATOM 1577 O THR A 103 21.655 0.932 88.166 1.00 0.00 O ATOM 1578 CB THR A 103 23.897 -1.055 86.081 1.00 0.00 C ATOM 1579 OG1 THR A 103 24.065 -1.897 87.216 1.00 0.00 O ATOM 1580 CG2 THR A 103 25.152 -0.208 85.885 1.00 0.00 C ATOM 0 H THR A 103 22.448 0.942 84.483 1.00 0.00 H new ATOM 0 HA THR A 103 21.789 -0.715 86.040 1.00 0.00 H new ATOM 0 HB THR A 103 23.734 -1.671 85.197 1.00 0.00 H new ATOM 0 HG1 THR A 103 25.015 -2.109 87.328 1.00 0.00 H new ATOM 0 HG21 THR A 103 26.013 -0.861 85.741 1.00 0.00 H new ATOM 0 HG22 THR A 103 25.028 0.428 85.009 1.00 0.00 H new ATOM 0 HG23 THR A 103 25.312 0.414 86.765 1.00 0.00 H new ATOM 1588 N ALA A 104 23.653 0.118 88.439 1.00 0.00 N ATOM 1589 CA ALA A 104 23.665 0.546 89.847 1.00 0.00 C ATOM 1590 C ALA A 104 24.298 1.929 90.014 1.00 0.00 C ATOM 1591 O ALA A 104 23.975 2.653 90.933 1.00 0.00 O ATOM 1592 CB ALA A 104 24.479 -0.482 90.596 1.00 0.00 C ATOM 0 H ALA A 104 24.498 -0.356 88.120 1.00 0.00 H new ATOM 0 HA ALA A 104 22.646 0.619 90.226 1.00 0.00 H new ATOM 0 HB1 ALA A 104 24.522 -0.214 91.652 1.00 0.00 H new ATOM 0 HB2 ALA A 104 24.014 -1.462 90.489 1.00 0.00 H new ATOM 0 HB3 ALA A 104 25.489 -0.513 90.188 1.00 0.00 H new ATOM 1598 N LEU A 105 25.233 2.287 89.176 1.00 0.00 N ATOM 1599 CA LEU A 105 25.923 3.595 89.348 1.00 0.00 C ATOM 1600 C LEU A 105 24.952 4.769 89.461 1.00 0.00 C ATOM 1601 O LEU A 105 24.946 5.470 90.451 1.00 0.00 O ATOM 1602 CB LEU A 105 26.815 3.862 88.148 1.00 0.00 C ATOM 1603 CG LEU A 105 27.677 2.647 87.834 1.00 0.00 C ATOM 1604 CD1 LEU A 105 28.653 3.029 86.724 1.00 0.00 C ATOM 1605 CD2 LEU A 105 28.462 2.230 89.079 1.00 0.00 C ATOM 0 H LEU A 105 25.548 1.730 88.381 1.00 0.00 H new ATOM 0 HA LEU A 105 26.493 3.522 90.274 1.00 0.00 H new ATOM 0 HB2 LEU A 105 26.202 4.112 87.282 1.00 0.00 H new ATOM 0 HB3 LEU A 105 27.452 4.724 88.347 1.00 0.00 H new ATOM 0 HG LEU A 105 27.048 1.814 87.519 1.00 0.00 H new ATOM 0 HD11 LEU A 105 29.282 2.172 86.482 1.00 0.00 H new ATOM 0 HD12 LEU A 105 28.096 3.332 85.838 1.00 0.00 H new ATOM 0 HD13 LEU A 105 29.279 3.856 87.059 1.00 0.00 H new ATOM 0 HD21 LEU A 105 29.077 1.360 88.847 1.00 0.00 H new ATOM 0 HD22 LEU A 105 29.103 3.052 89.398 1.00 0.00 H new ATOM 0 HD23 LEU A 105 27.767 1.980 89.881 1.00 0.00 H new ATOM 1617 N GLU A 106 24.168 5.041 88.450 1.00 0.00 N ATOM 1618 CA GLU A 106 23.269 6.225 88.542 1.00 0.00 C ATOM 1619 C GLU A 106 22.004 5.859 89.314 1.00 0.00 C ATOM 1620 O GLU A 106 21.198 6.710 89.638 1.00 0.00 O ATOM 1621 CB GLU A 106 22.954 6.742 87.106 1.00 0.00 C ATOM 1622 CG GLU A 106 21.461 7.062 86.887 1.00 0.00 C ATOM 1623 CD GLU A 106 21.116 8.422 87.493 1.00 0.00 C ATOM 1624 OE1 GLU A 106 21.895 8.904 88.294 1.00 0.00 O ATOM 1625 OE2 GLU A 106 20.079 8.961 87.135 1.00 0.00 O ATOM 0 H GLU A 106 24.112 4.506 87.583 1.00 0.00 H new ATOM 0 HA GLU A 106 23.759 7.031 89.089 1.00 0.00 H new ATOM 0 HB2 GLU A 106 23.543 7.639 86.913 1.00 0.00 H new ATOM 0 HB3 GLU A 106 23.268 5.992 86.380 1.00 0.00 H new ATOM 0 HG2 GLU A 106 21.235 7.063 85.821 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.845 6.286 87.342 1.00 0.00 H new ATOM 1632 N ALA A 107 21.827 4.610 89.632 1.00 0.00 N ATOM 1633 CA ALA A 107 20.605 4.220 90.384 1.00 0.00 C ATOM 1634 C ALA A 107 20.706 4.542 91.882 1.00 0.00 C ATOM 1635 O ALA A 107 19.720 4.914 92.495 1.00 0.00 O ATOM 1636 CB ALA A 107 20.395 2.717 90.251 1.00 0.00 C ATOM 0 H ALA A 107 22.468 3.849 89.407 1.00 0.00 H new ATOM 0 HA ALA A 107 19.777 4.789 89.961 1.00 0.00 H new ATOM 0 HB1 ALA A 107 19.500 2.425 90.800 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.276 2.458 89.199 1.00 0.00 H new ATOM 0 HB3 ALA A 107 21.259 2.191 90.658 1.00 0.00 H new ATOM 1642 N THR A 108 21.833 4.337 92.512 1.00 0.00 N ATOM 1643 CA THR A 108 21.862 4.570 93.977 1.00 0.00 C ATOM 1644 C THR A 108 23.268 4.800 94.536 1.00 0.00 C ATOM 1645 O THR A 108 24.201 5.176 93.852 1.00 0.00 O ATOM 1646 CB THR A 108 21.320 3.296 94.616 1.00 0.00 C ATOM 1647 OG1 THR A 108 21.364 3.411 96.029 1.00 0.00 O ATOM 1648 CG2 THR A 108 22.177 2.099 94.161 1.00 0.00 C ATOM 0 H THR A 108 22.708 4.028 92.088 1.00 0.00 H new ATOM 0 HA THR A 108 21.283 5.468 94.193 1.00 0.00 H new ATOM 0 HB THR A 108 20.286 3.143 94.307 1.00 0.00 H new ATOM 0 HG1 THR A 108 21.016 2.590 96.435 1.00 0.00 H new ATOM 0 HG21 THR A 108 21.795 1.185 94.615 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.133 2.012 93.075 1.00 0.00 H new ATOM 0 HG23 THR A 108 23.211 2.253 94.471 1.00 0.00 H new ATOM 1656 N ASP A 109 23.379 4.535 95.812 1.00 0.00 N ATOM 1657 CA ASP A 109 24.655 4.667 96.549 1.00 0.00 C ATOM 1658 C ASP A 109 24.691 3.569 97.624 1.00 0.00 C ATOM 1659 O ASP A 109 25.662 3.413 98.337 1.00 0.00 O ATOM 1660 CB ASP A 109 24.738 6.048 97.202 1.00 0.00 C ATOM 1661 CG ASP A 109 26.078 6.198 97.928 1.00 0.00 C ATOM 1662 OD1 ASP A 109 26.166 5.766 99.064 1.00 0.00 O ATOM 1663 OD2 ASP A 109 26.989 6.757 97.340 1.00 0.00 O ATOM 0 H ASP A 109 22.599 4.220 96.389 1.00 0.00 H new ATOM 0 HA ASP A 109 25.502 4.560 95.871 1.00 0.00 H new ATOM 0 HB2 ASP A 109 24.635 6.825 96.445 1.00 0.00 H new ATOM 0 HB3 ASP A 109 23.916 6.178 97.906 1.00 0.00 H new ATOM 1668 N ASN A 110 23.648 2.775 97.722 1.00 0.00 N ATOM 1669 CA ASN A 110 23.660 1.670 98.719 1.00 0.00 C ATOM 1670 C ASN A 110 24.576 0.592 98.159 1.00 0.00 C ATOM 1671 O ASN A 110 24.646 0.390 96.963 1.00 0.00 O ATOM 1672 CB ASN A 110 22.256 1.103 98.917 1.00 0.00 C ATOM 1673 CG ASN A 110 21.708 0.665 97.572 1.00 0.00 C ATOM 1674 OD1 ASN A 110 20.859 1.319 97.000 1.00 0.00 O ATOM 1675 ND2 ASN A 110 22.167 -0.424 97.041 1.00 0.00 N ATOM 0 H ASN A 110 22.801 2.848 97.159 1.00 0.00 H new ATOM 0 HA ASN A 110 24.007 2.030 99.688 1.00 0.00 H new ATOM 0 HB2 ASN A 110 22.284 0.258 99.605 1.00 0.00 H new ATOM 0 HB3 ASN A 110 21.605 1.855 99.362 1.00 0.00 H new ATOM 0 HD21 ASN A 110 21.816 -0.738 96.136 1.00 0.00 H new ATOM 0 HD22 ASN A 110 22.880 -0.968 97.528 1.00 0.00 H new ATOM 1682 N GLN A 111 25.314 -0.066 98.990 1.00 0.00 N ATOM 1683 CA GLN A 111 26.269 -1.081 98.478 1.00 0.00 C ATOM 1684 C GLN A 111 25.592 -2.445 98.238 1.00 0.00 C ATOM 1685 O GLN A 111 26.247 -3.422 97.934 1.00 0.00 O ATOM 1686 CB GLN A 111 27.423 -1.172 99.477 1.00 0.00 C ATOM 1687 CG GLN A 111 28.275 -2.410 99.219 1.00 0.00 C ATOM 1688 CD GLN A 111 29.642 -2.229 99.883 1.00 0.00 C ATOM 1689 OE1 GLN A 111 30.097 -1.118 100.075 1.00 0.00 O ATOM 1690 NE2 GLN A 111 30.321 -3.281 100.245 1.00 0.00 N ATOM 0 H GLN A 111 25.302 0.051 100.003 1.00 0.00 H new ATOM 0 HA GLN A 111 26.649 -0.779 97.502 1.00 0.00 H new ATOM 0 HB2 GLN A 111 28.043 -0.278 99.404 1.00 0.00 H new ATOM 0 HB3 GLN A 111 27.028 -1.204 100.492 1.00 0.00 H new ATOM 0 HG2 GLN A 111 27.779 -3.296 99.616 1.00 0.00 H new ATOM 0 HG3 GLN A 111 28.396 -2.566 98.147 1.00 0.00 H new ATOM 0 HE21 GLN A 111 29.940 -4.214 100.085 1.00 0.00 H new ATOM 0 HE22 GLN A 111 31.233 -3.172 100.689 1.00 0.00 H new ATOM 1699 N ALA A 112 24.290 -2.519 98.311 1.00 0.00 N ATOM 1700 CA ALA A 112 23.609 -3.817 98.034 1.00 0.00 C ATOM 1701 C ALA A 112 23.515 -3.973 96.522 1.00 0.00 C ATOM 1702 O ALA A 112 23.880 -4.979 95.931 1.00 0.00 O ATOM 1703 CB ALA A 112 22.187 -3.783 98.613 1.00 0.00 C ATOM 0 H ALA A 112 23.672 -1.743 98.549 1.00 0.00 H new ATOM 0 HA ALA A 112 24.163 -4.641 98.483 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.689 -4.731 98.411 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.236 -3.621 99.690 1.00 0.00 H new ATOM 0 HB3 ALA A 112 21.625 -2.972 98.150 1.00 0.00 H new ATOM 1709 N ILE A 113 23.050 -2.950 95.903 1.00 0.00 N ATOM 1710 CA ILE A 113 22.913 -2.942 94.434 1.00 0.00 C ATOM 1711 C ILE A 113 24.283 -2.820 93.813 1.00 0.00 C ATOM 1712 O ILE A 113 24.662 -3.589 92.947 1.00 0.00 O ATOM 1713 CB ILE A 113 22.059 -1.733 94.062 1.00 0.00 C ATOM 1714 CG1 ILE A 113 20.642 -2.015 94.585 1.00 0.00 C ATOM 1715 CG2 ILE A 113 22.051 -1.525 92.530 1.00 0.00 C ATOM 1716 CD1 ILE A 113 19.968 -0.752 95.148 1.00 0.00 C ATOM 0 H ILE A 113 22.749 -2.091 96.362 1.00 0.00 H new ATOM 0 HA ILE A 113 22.447 -3.859 94.074 1.00 0.00 H new ATOM 0 HB ILE A 113 22.458 -0.820 94.504 1.00 0.00 H new ATOM 0 HG12 ILE A 113 20.033 -2.421 93.777 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.689 -2.777 95.363 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.437 -0.659 92.284 1.00 0.00 H new ATOM 0 HG22 ILE A 113 23.070 -1.359 92.180 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.640 -2.410 92.045 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.969 -1.001 95.505 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.562 -0.360 95.974 1.00 0.00 H new ATOM 0 HD13 ILE A 113 19.895 0.002 94.364 1.00 0.00 H new ATOM 1728 N LYS A 114 25.043 -1.869 94.245 1.00 0.00 N ATOM 1729 CA LYS A 114 26.381 -1.729 93.657 1.00 0.00 C ATOM 1730 C LYS A 114 27.072 -3.090 93.757 1.00 0.00 C ATOM 1731 O LYS A 114 28.080 -3.345 93.123 1.00 0.00 O ATOM 1732 CB LYS A 114 27.174 -0.641 94.396 1.00 0.00 C ATOM 1733 CG LYS A 114 26.358 0.670 94.473 1.00 0.00 C ATOM 1734 CD LYS A 114 26.500 1.483 93.171 1.00 0.00 C ATOM 1735 CE LYS A 114 26.202 2.968 93.440 1.00 0.00 C ATOM 1736 NZ LYS A 114 27.380 3.612 94.090 1.00 0.00 N ATOM 0 H LYS A 114 24.799 -1.193 94.969 1.00 0.00 H new ATOM 0 HA LYS A 114 26.318 -1.424 92.612 1.00 0.00 H new ATOM 0 HB2 LYS A 114 27.420 -0.982 95.402 1.00 0.00 H new ATOM 0 HB3 LYS A 114 28.118 -0.459 93.882 1.00 0.00 H new ATOM 0 HG2 LYS A 114 25.307 0.439 94.650 1.00 0.00 H new ATOM 0 HG3 LYS A 114 26.700 1.267 95.318 1.00 0.00 H new ATOM 0 HD2 LYS A 114 27.509 1.373 92.772 1.00 0.00 H new ATOM 0 HD3 LYS A 114 25.815 1.098 92.416 1.00 0.00 H new ATOM 0 HE2 LYS A 114 25.969 3.476 92.505 1.00 0.00 H new ATOM 0 HE3 LYS A 114 25.325 3.062 94.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 27.250 4.644 94.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 27.471 3.265 95.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 28.242 3.377 93.557 1.00 0.00 H new ATOM 1750 N ALA A 115 26.506 -3.988 94.524 1.00 0.00 N ATOM 1751 CA ALA A 115 27.097 -5.336 94.623 1.00 0.00 C ATOM 1752 C ALA A 115 27.040 -5.955 93.231 1.00 0.00 C ATOM 1753 O ALA A 115 28.012 -6.493 92.748 1.00 0.00 O ATOM 1754 CB ALA A 115 26.314 -6.195 95.627 1.00 0.00 C ATOM 0 H ALA A 115 25.664 -3.837 95.080 1.00 0.00 H new ATOM 0 HA ALA A 115 28.126 -5.280 94.978 1.00 0.00 H new ATOM 0 HB1 ALA A 115 26.764 -7.186 95.687 1.00 0.00 H new ATOM 0 HB2 ALA A 115 26.343 -5.723 96.609 1.00 0.00 H new ATOM 0 HB3 ALA A 115 25.279 -6.286 95.298 1.00 0.00 H new ATOM 1760 N LEU A 116 25.919 -5.851 92.552 1.00 0.00 N ATOM 1761 CA LEU A 116 25.860 -6.425 91.171 1.00 0.00 C ATOM 1762 C LEU A 116 26.825 -5.616 90.286 1.00 0.00 C ATOM 1763 O LEU A 116 27.035 -5.937 89.134 1.00 0.00 O ATOM 1764 CB LEU A 116 24.436 -6.314 90.580 1.00 0.00 C ATOM 1765 CG LEU A 116 23.570 -7.595 90.770 1.00 0.00 C ATOM 1766 CD1 LEU A 116 22.484 -7.616 89.684 1.00 0.00 C ATOM 1767 CD2 LEU A 116 24.381 -8.899 90.646 1.00 0.00 C ATOM 0 H LEU A 116 25.064 -5.405 92.885 1.00 0.00 H new ATOM 0 HA LEU A 116 26.134 -7.479 91.208 1.00 0.00 H new ATOM 0 HB2 LEU A 116 23.926 -5.470 91.045 1.00 0.00 H new ATOM 0 HB3 LEU A 116 24.512 -6.094 89.515 1.00 0.00 H new ATOM 0 HG LEU A 116 23.155 -7.553 91.777 1.00 0.00 H new ATOM 0 HD11 LEU A 116 21.868 -8.507 89.803 1.00 0.00 H new ATOM 0 HD12 LEU A 116 21.859 -6.728 89.777 1.00 0.00 H new ATOM 0 HD13 LEU A 116 22.953 -7.628 88.700 1.00 0.00 H new ATOM 0 HD21 LEU A 116 23.720 -9.754 90.788 1.00 0.00 H new ATOM 0 HD22 LEU A 116 24.835 -8.952 89.656 1.00 0.00 H new ATOM 0 HD23 LEU A 116 25.163 -8.915 91.405 1.00 0.00 H new ATOM 1779 N LEU A 117 27.451 -4.589 90.816 1.00 0.00 N ATOM 1780 CA LEU A 117 28.422 -3.826 89.981 1.00 0.00 C ATOM 1781 C LEU A 117 29.698 -4.645 90.002 1.00 0.00 C ATOM 1782 O LEU A 117 30.684 -4.348 89.358 1.00 0.00 O ATOM 1783 CB LEU A 117 28.664 -2.431 90.579 1.00 0.00 C ATOM 1784 CG LEU A 117 28.811 -1.386 89.464 1.00 0.00 C ATOM 1785 CD1 LEU A 117 29.978 -1.769 88.543 1.00 0.00 C ATOM 1786 CD2 LEU A 117 27.496 -1.289 88.662 1.00 0.00 C ATOM 0 H LEU A 117 27.332 -4.255 91.772 1.00 0.00 H new ATOM 0 HA LEU A 117 28.056 -3.674 88.966 1.00 0.00 H new ATOM 0 HB2 LEU A 117 27.835 -2.160 91.232 1.00 0.00 H new ATOM 0 HB3 LEU A 117 29.564 -2.444 91.194 1.00 0.00 H new ATOM 0 HG LEU A 117 29.022 -0.412 89.906 1.00 0.00 H new ATOM 0 HD11 LEU A 117 30.078 -1.024 87.753 1.00 0.00 H new ATOM 0 HD12 LEU A 117 30.900 -1.810 89.122 1.00 0.00 H new ATOM 0 HD13 LEU A 117 29.785 -2.745 88.098 1.00 0.00 H new ATOM 0 HD21 LEU A 117 27.606 -0.546 87.872 1.00 0.00 H new ATOM 0 HD22 LEU A 117 27.267 -2.258 88.219 1.00 0.00 H new ATOM 0 HD23 LEU A 117 26.685 -0.994 89.328 1.00 0.00 H new ATOM 1798 N GLN A 118 29.645 -5.711 90.742 1.00 0.00 N ATOM 1799 CA GLN A 118 30.809 -6.617 90.841 1.00 0.00 C ATOM 1800 C GLN A 118 31.080 -7.218 89.457 1.00 0.00 C ATOM 1801 O GLN A 118 30.211 -7.909 88.951 1.00 0.00 O ATOM 1802 CB GLN A 118 30.475 -7.738 91.823 1.00 0.00 C ATOM 1803 CG GLN A 118 30.722 -7.271 93.260 1.00 0.00 C ATOM 1804 CD GLN A 118 30.094 -8.271 94.235 1.00 0.00 C ATOM 1805 OE1 GLN A 118 30.666 -8.578 95.263 1.00 0.00 O ATOM 1806 NE2 GLN A 118 28.931 -8.794 93.956 1.00 0.00 N ATOM 1807 OXT GLN A 118 32.145 -6.963 88.922 1.00 0.00 O ATOM 0 H GLN A 118 28.832 -5.995 91.289 1.00 0.00 H new ATOM 0 HA GLN A 118 31.688 -6.073 91.187 1.00 0.00 H new ATOM 0 HB2 GLN A 118 29.434 -8.038 91.704 1.00 0.00 H new ATOM 0 HB3 GLN A 118 31.086 -8.615 91.607 1.00 0.00 H new ATOM 0 HG2 GLN A 118 31.792 -7.187 93.448 1.00 0.00 H new ATOM 0 HG3 GLN A 118 30.293 -6.281 93.411 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.450 -8.537 93.094 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.503 -9.459 94.600 1.00 0.00 H new