USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 9 CYS SG : rot 101:sc= 1.97 USER MOD Set 1.2: A 81 CYS SG : rot -111:sc= 1.18 USER MOD Set 2.1: A 11 ASN : amide:sc= -2.29! C(o=-0.59!,f=-4.6!) USER MOD Set 2.2: A 15 ASN : amide:sc= 0.57 K(o=-0.59,f=-6.8!) USER MOD Set 2.3: A 17 HIS : no HD1:sc= 0.0937 K(o=-0.59,f=-5.6) USER MOD Set 2.4: A 36 SER OG : rot -125:sc= 1.03 USER MOD Set 3.1: A 13 GLN : amide:sc= 1.53 K(o=1.9,f=-8.9!) USER MOD Set 3.2: A 88 GLN : amide:sc= 0.375 K(o=1.9,f=-3.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.728 (180deg=0.68) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 100:sc= -0.421 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0209 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 179:sc= -0.355 (180deg=-0.361) USER MOD Single : A 22 CYS SG : rot 71:sc= -0.925 USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 1.12 (180deg=0.722) USER MOD Single : A 30 MET CE :methyl -130:sc= 0 (180deg=-0.169) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 0.794 (180deg=-0.483!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.297 USER MOD Single : A 57 ASN : amide:sc= 1.1 K(o=1.1,f=-0.97) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0593 X(o=-0.059,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 21:sc= 0.868 USER MOD Single : A 80 GLN : amide:sc= 0.218 X(o=0.22,f=-0.067) USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0954 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.148 -1.852 -0.590 1.00 0.00 N ATOM 2 CA MET A 1 3.628 -1.335 -1.890 1.00 0.00 C ATOM 3 C MET A 1 4.772 -0.357 -1.643 1.00 0.00 C ATOM 4 O MET A 1 4.664 0.545 -0.810 1.00 0.00 O ATOM 5 CB MET A 1 2.504 -0.696 -2.731 1.00 0.00 C ATOM 6 CG MET A 1 3.000 -0.266 -4.121 1.00 0.00 C ATOM 7 SD MET A 1 3.703 -1.591 -5.143 1.00 0.00 S ATOM 8 CE MET A 1 4.235 -0.602 -6.569 1.00 0.00 C ATOM 0 H1 MET A 1 2.463 -2.618 -0.752 1.00 0.00 H new ATOM 0 H2 MET A 1 3.953 -2.218 -0.043 1.00 0.00 H new ATOM 0 H3 MET A 1 2.689 -1.084 -0.059 1.00 0.00 H new ATOM 0 HA MET A 1 3.989 -2.177 -2.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.685 -1.407 -2.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.105 0.171 -2.204 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.167 0.183 -4.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.754 0.511 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.696 -1.253 -7.311 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.371 -0.105 -7.009 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.958 0.146 -6.244 1.00 0.00 H new ATOM 20 N GLU A 2 5.875 -0.535 -2.370 1.00 0.00 N ATOM 21 CA GLU A 2 7.094 0.247 -2.248 1.00 0.00 C ATOM 22 C GLU A 2 7.499 0.649 -3.667 1.00 0.00 C ATOM 23 O GLU A 2 7.099 -0.003 -4.640 1.00 0.00 O ATOM 24 CB GLU A 2 8.202 -0.570 -1.558 1.00 0.00 C ATOM 25 CG GLU A 2 7.816 -1.146 -0.182 1.00 0.00 C ATOM 26 CD GLU A 2 7.061 -2.490 -0.251 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.677 -3.521 -0.608 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.856 -2.537 0.090 1.00 0.00 O ATOM 0 H GLU A 2 5.941 -1.258 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 2 6.934 1.131 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.490 -1.392 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.081 0.064 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.721 -1.280 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.196 -0.420 0.343 1.00 0.00 H new ATOM 35 N TRP A 3 8.291 1.709 -3.793 1.00 0.00 N ATOM 36 CA TRP A 3 8.575 2.363 -5.053 1.00 0.00 C ATOM 37 C TRP A 3 10.072 2.662 -5.117 1.00 0.00 C ATOM 38 O TRP A 3 10.780 2.531 -4.117 1.00 0.00 O ATOM 39 CB TRP A 3 7.717 3.638 -5.137 1.00 0.00 C ATOM 40 CG TRP A 3 6.243 3.457 -4.898 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.643 3.480 -3.686 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.170 3.217 -5.861 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.288 3.269 -3.826 1.00 0.00 N ATOM 44 CE2 TRP A 3 3.937 3.100 -5.150 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.106 3.109 -7.267 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.714 2.871 -5.800 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.886 2.878 -7.932 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.691 2.754 -7.200 1.00 0.00 C ATOM 0 H TRP A 3 8.762 2.143 -2.999 1.00 0.00 H new ATOM 0 HA TRP A 3 8.326 1.732 -5.906 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.097 4.357 -4.411 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.853 4.080 -6.124 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.151 3.640 -2.746 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.628 3.241 -3.049 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.013 3.206 -7.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.801 2.786 -5.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.868 2.796 -9.009 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.759 2.569 -7.713 1.00 0.00 H new ATOM 59 N LEU A 4 10.560 3.067 -6.286 1.00 0.00 N ATOM 60 CA LEU A 4 11.970 3.225 -6.597 1.00 0.00 C ATOM 61 C LEU A 4 12.150 4.535 -7.344 1.00 0.00 C ATOM 62 O LEU A 4 11.495 4.790 -8.351 1.00 0.00 O ATOM 63 CB LEU A 4 12.422 2.046 -7.465 1.00 0.00 C ATOM 64 CG LEU A 4 13.898 2.043 -7.907 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.854 1.811 -6.734 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.106 0.926 -8.938 1.00 0.00 C ATOM 0 H LEU A 4 9.955 3.303 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 4 12.570 3.242 -5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.229 1.124 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.798 2.022 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 4 14.119 3.022 -8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.882 1.817 -7.096 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.724 2.603 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.638 0.847 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.148 0.915 -9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.854 -0.035 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.464 1.103 -9.801 1.00 0.00 H new ATOM 78 N VAL A 5 13.051 5.357 -6.841 1.00 0.00 N ATOM 79 CA VAL A 5 13.555 6.552 -7.501 1.00 0.00 C ATOM 80 C VAL A 5 14.526 6.033 -8.548 1.00 0.00 C ATOM 81 O VAL A 5 15.577 5.493 -8.170 1.00 0.00 O ATOM 82 CB VAL A 5 14.284 7.461 -6.494 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.730 8.769 -7.158 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.400 7.772 -5.277 1.00 0.00 C ATOM 0 H VAL A 5 13.471 5.206 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 5 12.755 7.150 -7.938 1.00 0.00 H new ATOM 0 HB VAL A 5 15.166 6.920 -6.151 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.242 9.393 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.408 8.546 -7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.857 9.299 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.945 8.415 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.493 8.279 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.134 6.843 -4.774 1.00 0.00 H new ATOM 94 N LYS A 6 14.151 6.203 -9.825 1.00 0.00 N ATOM 95 CA LYS A 6 14.937 5.822 -11.006 1.00 0.00 C ATOM 96 C LYS A 6 15.607 7.032 -11.664 1.00 0.00 C ATOM 97 O LYS A 6 16.592 6.851 -12.373 1.00 0.00 O ATOM 98 CB LYS A 6 14.039 5.103 -12.026 1.00 0.00 C ATOM 99 CG LYS A 6 13.849 3.607 -11.715 1.00 0.00 C ATOM 100 CD LYS A 6 14.820 2.678 -12.471 1.00 0.00 C ATOM 101 CE LYS A 6 16.307 3.033 -12.292 1.00 0.00 C ATOM 102 NZ LYS A 6 17.202 2.062 -12.975 1.00 0.00 N ATOM 0 H LYS A 6 13.256 6.626 -10.072 1.00 0.00 H new ATOM 0 HA LYS A 6 15.726 5.149 -10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.064 5.590 -12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.472 5.209 -13.021 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.974 3.451 -10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.826 3.323 -11.961 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.660 1.654 -12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.577 2.706 -13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.490 4.033 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.547 3.060 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.193 2.340 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.047 1.112 -12.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.992 2.054 -13.994 1.00 0.00 H new ATOM 116 N LYS A 7 15.107 8.248 -11.426 1.00 0.00 N ATOM 117 CA LYS A 7 15.712 9.532 -11.790 1.00 0.00 C ATOM 118 C LYS A 7 15.317 10.504 -10.680 1.00 0.00 C ATOM 119 O LYS A 7 14.265 10.321 -10.064 1.00 0.00 O ATOM 120 CB LYS A 7 15.251 10.045 -13.168 1.00 0.00 C ATOM 121 CG LYS A 7 15.874 9.257 -14.331 1.00 0.00 C ATOM 122 CD LYS A 7 15.427 9.780 -15.700 1.00 0.00 C ATOM 123 CE LYS A 7 16.027 8.876 -16.789 1.00 0.00 C ATOM 124 NZ LYS A 7 15.640 9.301 -18.158 1.00 0.00 N ATOM 0 H LYS A 7 14.216 8.369 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 7 16.793 9.428 -11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.165 9.980 -13.231 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.514 11.098 -13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.960 9.312 -14.262 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.601 8.206 -14.241 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.339 9.783 -15.767 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.757 10.809 -15.838 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.114 8.882 -16.704 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.700 7.849 -16.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.070 8.660 -18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.605 9.270 -18.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.974 10.271 -18.328 1.00 0.00 H new ATOM 138 N SER A 8 16.130 11.520 -10.429 1.00 0.00 N ATOM 139 CA SER A 8 15.954 12.501 -9.365 1.00 0.00 C ATOM 140 C SER A 8 16.571 13.813 -9.857 1.00 0.00 C ATOM 141 O SER A 8 17.577 13.791 -10.576 1.00 0.00 O ATOM 142 CB SER A 8 16.653 11.986 -8.097 1.00 0.00 C ATOM 143 OG SER A 8 17.881 11.334 -8.396 1.00 0.00 O ATOM 0 H SER A 8 16.968 11.692 -10.985 1.00 0.00 H new ATOM 0 HA SER A 8 14.904 12.663 -9.122 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.840 12.821 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.993 11.294 -7.574 1.00 0.00 H new ATOM 0 HG SER A 8 18.626 11.949 -8.231 1.00 0.00 H new ATOM 149 N CYS A 9 15.992 14.944 -9.457 1.00 0.00 N ATOM 150 CA CYS A 9 16.394 16.275 -9.895 1.00 0.00 C ATOM 151 C CYS A 9 16.574 17.152 -8.660 1.00 0.00 C ATOM 152 O CYS A 9 15.594 17.565 -8.033 1.00 0.00 O ATOM 153 CB CYS A 9 15.348 16.850 -10.861 1.00 0.00 C ATOM 154 SG CYS A 9 15.377 15.905 -12.412 1.00 0.00 S ATOM 0 H CYS A 9 15.210 14.958 -8.802 1.00 0.00 H new ATOM 0 HA CYS A 9 17.339 16.234 -10.437 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.356 16.802 -10.411 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.558 17.901 -11.059 1.00 0.00 H new ATOM 0 HG CYS A 9 14.396 15.052 -12.419 1.00 0.00 H new ATOM 160 N CYS A 10 17.837 17.389 -8.296 1.00 0.00 N ATOM 161 CA CYS A 10 18.225 18.265 -7.200 1.00 0.00 C ATOM 162 C CYS A 10 17.710 19.687 -7.448 1.00 0.00 C ATOM 163 O CYS A 10 17.691 20.151 -8.592 1.00 0.00 O ATOM 164 CB CYS A 10 19.754 18.269 -7.054 1.00 0.00 C ATOM 165 SG CYS A 10 20.376 16.576 -6.800 1.00 0.00 S ATOM 0 H CYS A 10 18.634 16.964 -8.770 1.00 0.00 H new ATOM 0 HA CYS A 10 17.782 17.894 -6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.209 18.700 -7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.043 18.899 -6.213 1.00 0.00 H new ATOM 0 HG CYS A 10 21.670 16.602 -6.681 1.00 0.00 H new ATOM 171 N ASN A 11 17.344 20.395 -6.379 1.00 0.00 N ATOM 172 CA ASN A 11 16.993 21.815 -6.412 1.00 0.00 C ATOM 173 C ASN A 11 17.335 22.440 -5.064 1.00 0.00 C ATOM 174 O ASN A 11 17.290 21.780 -4.024 1.00 0.00 O ATOM 175 CB ASN A 11 15.507 22.031 -6.759 1.00 0.00 C ATOM 176 CG ASN A 11 14.620 22.056 -5.526 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.222 23.119 -5.060 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.362 20.894 -4.951 1.00 0.00 N ATOM 0 H ASN A 11 17.282 19.988 -5.446 1.00 0.00 H new ATOM 0 HA ASN A 11 17.570 22.300 -7.199 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.397 22.970 -7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.174 21.236 -7.426 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.815 20.861 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.710 20.030 -5.368 1.00 0.00 H new ATOM 185 N LYS A 12 17.615 23.738 -5.100 1.00 0.00 N ATOM 186 CA LYS A 12 17.750 24.606 -3.936 1.00 0.00 C ATOM 187 C LYS A 12 16.810 25.799 -4.044 1.00 0.00 C ATOM 188 O LYS A 12 16.629 26.520 -3.064 1.00 0.00 O ATOM 189 CB LYS A 12 19.211 25.084 -3.834 1.00 0.00 C ATOM 190 CG LYS A 12 19.941 24.386 -2.688 1.00 0.00 C ATOM 191 CD LYS A 12 19.488 24.947 -1.330 1.00 0.00 C ATOM 192 CE LYS A 12 20.256 24.263 -0.191 1.00 0.00 C ATOM 193 NZ LYS A 12 19.870 24.788 1.143 1.00 0.00 N ATOM 0 H LYS A 12 17.760 24.235 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 12 17.483 24.048 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.728 24.885 -4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.234 26.163 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.747 23.314 -2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 12 21.017 24.520 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 12 19.658 26.023 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.417 24.789 -1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.071 23.189 -0.224 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.326 24.406 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.414 24.296 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.071 25.808 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.854 24.628 1.298 1.00 0.00 H new ATOM 207 N GLN A 13 16.228 26.014 -5.225 1.00 0.00 N ATOM 208 CA GLN A 13 15.457 27.198 -5.526 1.00 0.00 C ATOM 209 C GLN A 13 14.180 27.232 -4.688 1.00 0.00 C ATOM 210 O GLN A 13 13.751 28.326 -4.313 1.00 0.00 O ATOM 211 CB GLN A 13 15.128 27.246 -7.029 1.00 0.00 C ATOM 212 CG GLN A 13 16.359 27.334 -7.953 1.00 0.00 C ATOM 213 CD GLN A 13 16.866 25.978 -8.465 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.120 25.050 -7.697 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.021 25.840 -9.772 1.00 0.00 N ATOM 0 H GLN A 13 16.286 25.356 -6.002 1.00 0.00 H new ATOM 0 HA GLN A 13 16.049 28.078 -5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.556 26.356 -7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.485 28.105 -7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.112 27.962 -8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.167 27.831 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 13 16.806 26.618 -10.396 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.355 24.956 -10.155 1.00 0.00 H new ATOM 224 N ASP A 14 13.583 26.071 -4.373 1.00 0.00 N ATOM 225 CA ASP A 14 12.341 26.060 -3.577 1.00 0.00 C ATOM 226 C ASP A 14 12.175 24.816 -2.692 1.00 0.00 C ATOM 227 O ASP A 14 11.100 24.572 -2.147 1.00 0.00 O ATOM 228 CB ASP A 14 11.130 26.252 -4.509 1.00 0.00 C ATOM 229 CG ASP A 14 9.893 26.848 -3.815 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.998 27.491 -2.744 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.799 26.751 -4.415 1.00 0.00 O ATOM 0 H ASP A 14 13.927 25.151 -4.647 1.00 0.00 H new ATOM 0 HA ASP A 14 12.406 26.894 -2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.419 26.903 -5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.862 25.288 -4.942 1.00 0.00 H new ATOM 236 N ASN A 15 13.226 23.994 -2.581 1.00 0.00 N ATOM 237 CA ASN A 15 13.286 22.667 -1.952 1.00 0.00 C ATOM 238 C ASN A 15 12.380 21.619 -2.616 1.00 0.00 C ATOM 239 O ASN A 15 12.580 20.423 -2.411 1.00 0.00 O ATOM 240 CB ASN A 15 13.094 22.742 -0.425 1.00 0.00 C ATOM 241 CG ASN A 15 13.151 21.356 0.216 1.00 0.00 C ATOM 242 OD1 ASN A 15 12.128 20.806 0.605 1.00 0.00 O ATOM 243 ND2 ASN A 15 14.322 20.748 0.310 1.00 0.00 N ATOM 0 H ASN A 15 14.134 24.262 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 15 14.299 22.306 -2.128 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.867 23.377 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.135 23.209 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.380 19.811 0.710 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.167 21.216 -0.017 1.00 0.00 H new ATOM 250 N ARG A 16 11.468 22.018 -3.504 1.00 0.00 N ATOM 251 CA ARG A 16 10.552 21.116 -4.203 1.00 0.00 C ATOM 252 C ARG A 16 11.306 20.315 -5.268 1.00 0.00 C ATOM 253 O ARG A 16 11.464 20.757 -6.405 1.00 0.00 O ATOM 254 CB ARG A 16 9.369 21.883 -4.802 1.00 0.00 C ATOM 255 CG ARG A 16 8.511 22.569 -3.723 1.00 0.00 C ATOM 256 CD ARG A 16 7.235 23.199 -4.292 1.00 0.00 C ATOM 257 NE ARG A 16 7.554 24.383 -5.093 1.00 0.00 N ATOM 258 CZ ARG A 16 7.740 24.444 -6.412 1.00 0.00 C ATOM 259 NH1 ARG A 16 7.452 23.433 -7.221 1.00 0.00 N ATOM 260 NH2 ARG A 16 8.256 25.555 -6.915 1.00 0.00 N ATOM 0 H ARG A 16 11.343 22.997 -3.762 1.00 0.00 H new ATOM 0 HA ARG A 16 10.141 20.411 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.741 22.634 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.747 21.196 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.241 21.838 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.103 23.340 -3.230 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.706 22.470 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.565 23.475 -3.477 1.00 0.00 H new ATOM 0 HE ARG A 16 7.644 25.262 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.073 22.567 -6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.610 23.522 -8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.498 26.330 -6.298 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.412 25.636 -7.920 1.00 0.00 H new ATOM 274 N HIS A 17 11.819 19.159 -4.863 1.00 0.00 N ATOM 275 CA HIS A 17 12.475 18.172 -5.697 1.00 0.00 C ATOM 276 C HIS A 17 11.449 17.497 -6.592 1.00 0.00 C ATOM 277 O HIS A 17 10.243 17.547 -6.338 1.00 0.00 O ATOM 278 CB HIS A 17 13.161 17.139 -4.787 1.00 0.00 C ATOM 279 CG HIS A 17 14.441 17.657 -4.195 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.594 18.482 -3.104 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.679 17.474 -4.737 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.896 18.804 -3.009 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.602 18.221 -3.996 1.00 0.00 N ATOM 0 H HIS A 17 11.783 18.873 -3.884 1.00 0.00 H new ATOM 0 HA HIS A 17 13.223 18.649 -6.331 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.480 16.858 -3.984 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.369 16.235 -5.360 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.908 16.857 -5.593 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.317 19.442 -2.246 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.604 18.306 -4.168 1.00 0.00 H new ATOM 291 N VAL A 18 11.942 16.802 -7.613 1.00 0.00 N ATOM 292 CA VAL A 18 11.113 15.987 -8.479 1.00 0.00 C ATOM 293 C VAL A 18 11.910 14.734 -8.787 1.00 0.00 C ATOM 294 O VAL A 18 13.135 14.787 -8.945 1.00 0.00 O ATOM 295 CB VAL A 18 10.697 16.727 -9.771 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.297 16.266 -10.209 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.710 18.260 -9.679 1.00 0.00 C ATOM 0 H VAL A 18 12.932 16.792 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 18 10.175 15.744 -7.979 1.00 0.00 H new ATOM 0 HB VAL A 18 11.458 16.463 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.009 16.791 -11.120 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.310 15.193 -10.398 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.578 16.487 -9.420 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.403 18.684 -10.635 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.019 18.584 -8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.716 18.601 -9.436 1.00 0.00 H new ATOM 307 N LEU A 19 11.217 13.603 -8.816 1.00 0.00 N ATOM 308 CA LEU A 19 11.812 12.303 -9.060 1.00 0.00 C ATOM 309 C LEU A 19 10.904 11.503 -9.987 1.00 0.00 C ATOM 310 O LEU A 19 9.721 11.823 -10.144 1.00 0.00 O ATOM 311 CB LEU A 19 12.135 11.523 -7.762 1.00 0.00 C ATOM 312 CG LEU A 19 11.786 12.094 -6.367 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.069 11.003 -5.341 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.621 13.329 -5.987 1.00 0.00 C ATOM 0 H LEU A 19 10.209 13.567 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 19 12.776 12.463 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.638 10.556 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.208 11.331 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 19 10.741 12.403 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.833 11.372 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.454 10.130 -5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.122 10.726 -5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.325 13.678 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.678 13.064 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.452 14.121 -6.717 1.00 0.00 H new ATOM 326 N MET A 20 11.464 10.447 -10.575 1.00 0.00 N ATOM 327 CA MET A 20 10.740 9.525 -11.424 1.00 0.00 C ATOM 328 C MET A 20 10.513 8.325 -10.522 1.00 0.00 C ATOM 329 O MET A 20 11.427 7.529 -10.275 1.00 0.00 O ATOM 330 CB MET A 20 11.538 9.225 -12.697 1.00 0.00 C ATOM 331 CG MET A 20 10.720 8.421 -13.710 1.00 0.00 C ATOM 332 SD MET A 20 11.560 8.137 -15.294 1.00 0.00 S ATOM 333 CE MET A 20 12.894 7.030 -14.769 1.00 0.00 C ATOM 0 H MET A 20 12.451 10.211 -10.468 1.00 0.00 H new ATOM 0 HA MET A 20 9.792 9.905 -11.805 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.860 10.162 -13.152 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.440 8.671 -12.437 1.00 0.00 H new ATOM 0 HG2 MET A 20 10.465 7.457 -13.270 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.782 8.944 -13.898 1.00 0.00 H new ATOM 0 HE1 MET A 20 13.494 6.747 -15.634 1.00 0.00 H new ATOM 0 HE2 MET A 20 13.525 7.540 -14.041 1.00 0.00 H new ATOM 0 HE3 MET A 20 12.467 6.136 -14.315 1.00 0.00 H new ATOM 343 N LEU A 21 9.331 8.312 -9.919 1.00 0.00 N ATOM 344 CA LEU A 21 8.918 7.366 -8.905 1.00 0.00 C ATOM 345 C LEU A 21 8.390 6.161 -9.665 1.00 0.00 C ATOM 346 O LEU A 21 7.532 6.311 -10.527 1.00 0.00 O ATOM 347 CB LEU A 21 7.858 8.069 -8.041 1.00 0.00 C ATOM 348 CG LEU A 21 7.299 7.228 -6.883 1.00 0.00 C ATOM 349 CD1 LEU A 21 6.743 8.156 -5.796 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.146 6.327 -7.341 1.00 0.00 C ATOM 0 H LEU A 21 8.605 8.994 -10.138 1.00 0.00 H new ATOM 0 HA LEU A 21 9.708 7.032 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.292 8.981 -7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.030 8.371 -8.683 1.00 0.00 H new ATOM 0 HG LEU A 21 8.117 6.613 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.347 7.558 -4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.540 8.800 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.946 8.771 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.778 5.748 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.339 6.943 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.501 5.649 -8.117 1.00 0.00 H new ATOM 362 N CYS A 22 8.899 4.974 -9.388 1.00 0.00 N ATOM 363 CA CYS A 22 8.641 3.792 -10.193 1.00 0.00 C ATOM 364 C CYS A 22 8.297 2.622 -9.288 1.00 0.00 C ATOM 365 O CYS A 22 8.492 2.699 -8.080 1.00 0.00 O ATOM 366 CB CYS A 22 9.892 3.479 -11.025 1.00 0.00 C ATOM 367 SG CYS A 22 10.411 4.937 -11.978 1.00 0.00 S ATOM 0 H CYS A 22 9.510 4.801 -8.590 1.00 0.00 H new ATOM 0 HA CYS A 22 7.798 3.969 -10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.701 3.161 -10.368 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.686 2.650 -11.702 1.00 0.00 H new ATOM 0 HG CYS A 22 10.902 5.831 -11.171 1.00 0.00 H new ATOM 373 N ASP A 23 7.778 1.539 -9.855 1.00 0.00 N ATOM 374 CA ASP A 23 7.646 0.255 -9.163 1.00 0.00 C ATOM 375 C ASP A 23 9.007 -0.122 -8.553 1.00 0.00 C ATOM 376 O ASP A 23 10.045 0.242 -9.112 1.00 0.00 O ATOM 377 CB ASP A 23 7.168 -0.791 -10.185 1.00 0.00 C ATOM 378 CG ASP A 23 7.681 -2.205 -9.881 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.099 -2.887 -9.010 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.668 -2.613 -10.533 1.00 0.00 O ATOM 0 H ASP A 23 7.433 1.524 -10.815 1.00 0.00 H new ATOM 0 HA ASP A 23 6.919 0.308 -8.353 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.078 -0.802 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.500 -0.496 -11.181 1.00 0.00 H new ATOM 385 N ALA A 24 9.022 -0.843 -7.426 1.00 0.00 N ATOM 386 CA ALA A 24 10.230 -1.406 -6.821 1.00 0.00 C ATOM 387 C ALA A 24 10.842 -2.489 -7.732 1.00 0.00 C ATOM 388 O ALA A 24 10.711 -3.689 -7.474 1.00 0.00 O ATOM 389 CB ALA A 24 9.921 -1.917 -5.406 1.00 0.00 C ATOM 0 H ALA A 24 8.175 -1.055 -6.899 1.00 0.00 H new ATOM 0 HA ALA A 24 10.985 -0.626 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.826 -2.334 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.564 -1.091 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.153 -2.689 -5.458 1.00 0.00 H new ATOM 395 N GLY A 25 11.476 -2.054 -8.822 1.00 0.00 N ATOM 396 CA GLY A 25 11.938 -2.891 -9.925 1.00 0.00 C ATOM 397 C GLY A 25 11.939 -2.148 -11.266 1.00 0.00 C ATOM 398 O GLY A 25 12.584 -2.592 -12.217 1.00 0.00 O ATOM 0 H GLY A 25 11.689 -1.067 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.946 -3.246 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.299 -3.771 -10.001 1.00 0.00 H new ATOM 402 N GLY A 26 11.244 -1.011 -11.342 1.00 0.00 N ATOM 403 CA GLY A 26 11.181 -0.132 -12.501 1.00 0.00 C ATOM 404 C GLY A 26 10.108 -0.520 -13.520 1.00 0.00 C ATOM 405 O GLY A 26 10.068 0.094 -14.588 1.00 0.00 O ATOM 0 H GLY A 26 10.687 -0.667 -10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.993 0.887 -12.162 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.153 -0.129 -12.995 1.00 0.00 H new ATOM 409 N ALA A 27 9.253 -1.515 -13.242 1.00 0.00 N ATOM 410 CA ALA A 27 8.332 -2.078 -14.235 1.00 0.00 C ATOM 411 C ALA A 27 7.196 -1.121 -14.638 1.00 0.00 C ATOM 412 O ALA A 27 6.567 -1.320 -15.680 1.00 0.00 O ATOM 413 CB ALA A 27 7.739 -3.384 -13.695 1.00 0.00 C ATOM 0 H ALA A 27 9.182 -1.951 -12.322 1.00 0.00 H new ATOM 0 HA ALA A 27 8.916 -2.258 -15.137 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.054 -3.804 -14.431 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.542 -4.095 -13.499 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.199 -3.183 -12.770 1.00 0.00 H new ATOM 419 N ILE A 28 6.922 -0.102 -13.823 1.00 0.00 N ATOM 420 CA ILE A 28 5.893 0.921 -14.002 1.00 0.00 C ATOM 421 C ILE A 28 6.568 2.215 -13.543 1.00 0.00 C ATOM 422 O ILE A 28 7.388 2.163 -12.621 1.00 0.00 O ATOM 423 CB ILE A 28 4.635 0.587 -13.153 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.055 -0.803 -13.516 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.554 1.678 -13.306 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.817 -1.213 -12.709 1.00 0.00 C ATOM 0 H ILE A 28 7.450 0.039 -12.962 1.00 0.00 H new ATOM 0 HA ILE A 28 5.537 0.994 -15.030 1.00 0.00 H new ATOM 0 HB ILE A 28 4.950 0.558 -12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.799 -0.809 -14.576 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.831 -1.554 -13.371 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.686 1.417 -12.701 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.954 2.636 -12.973 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.258 1.752 -14.352 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.482 -2.199 -13.032 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.068 -1.244 -11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.020 -0.488 -12.872 1.00 0.00 H new ATOM 438 N LYS A 29 6.253 3.361 -14.157 1.00 0.00 N ATOM 439 CA LYS A 29 6.933 4.626 -13.876 1.00 0.00 C ATOM 440 C LYS A 29 5.930 5.773 -13.776 1.00 0.00 C ATOM 441 O LYS A 29 4.921 5.802 -14.484 1.00 0.00 O ATOM 442 CB LYS A 29 8.010 4.915 -14.939 1.00 0.00 C ATOM 443 CG LYS A 29 9.092 3.815 -15.006 1.00 0.00 C ATOM 444 CD LYS A 29 10.405 4.336 -15.613 1.00 0.00 C ATOM 445 CE LYS A 29 11.621 3.444 -15.298 1.00 0.00 C ATOM 446 NZ LYS A 29 11.540 2.107 -15.943 1.00 0.00 N ATOM 0 H LYS A 29 5.520 3.435 -14.862 1.00 0.00 H new ATOM 0 HA LYS A 29 7.432 4.538 -12.911 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.535 5.011 -15.915 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.484 5.872 -14.720 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.283 3.432 -14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.724 2.980 -15.601 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.291 4.414 -16.694 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.595 5.342 -15.239 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.530 3.947 -15.629 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.702 3.317 -14.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.497 1.715 -16.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.970 1.470 -15.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.096 2.199 -16.879 1.00 0.00 H new ATOM 460 N MET A 30 6.244 6.729 -12.909 1.00 0.00 N ATOM 461 CA MET A 30 5.446 7.878 -12.503 1.00 0.00 C ATOM 462 C MET A 30 6.409 9.064 -12.366 1.00 0.00 C ATOM 463 O MET A 30 7.632 8.898 -12.380 1.00 0.00 O ATOM 464 CB MET A 30 4.769 7.623 -11.134 1.00 0.00 C ATOM 465 CG MET A 30 4.028 6.287 -10.976 1.00 0.00 C ATOM 466 SD MET A 30 2.460 6.145 -11.872 1.00 0.00 S ATOM 467 CE MET A 30 1.443 7.244 -10.845 1.00 0.00 C ATOM 0 H MET A 30 7.144 6.718 -12.430 1.00 0.00 H new ATOM 0 HA MET A 30 4.664 8.069 -13.238 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.533 7.684 -10.359 1.00 0.00 H new ATOM 0 HB3 MET A 30 4.061 8.430 -10.948 1.00 0.00 H new ATOM 0 HG2 MET A 30 4.688 5.485 -11.308 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.835 6.123 -9.916 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.516 6.737 -10.577 1.00 0.00 H new ATOM 0 HE2 MET A 30 1.990 7.504 -9.939 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.212 8.152 -11.402 1.00 0.00 H new ATOM 477 N ILE A 31 5.868 10.259 -12.166 1.00 0.00 N ATOM 478 CA ILE A 31 6.602 11.463 -11.798 1.00 0.00 C ATOM 479 C ILE A 31 6.031 11.857 -10.439 1.00 0.00 C ATOM 480 O ILE A 31 4.817 11.762 -10.249 1.00 0.00 O ATOM 481 CB ILE A 31 6.399 12.562 -12.855 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.001 12.137 -14.211 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.034 13.895 -12.420 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.177 12.745 -15.338 1.00 0.00 C ATOM 0 H ILE A 31 4.866 10.422 -12.260 1.00 0.00 H new ATOM 0 HA ILE A 31 7.679 11.307 -11.746 1.00 0.00 H new ATOM 0 HB ILE A 31 5.323 12.705 -12.960 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.037 12.468 -14.282 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.008 11.050 -14.295 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.869 14.646 -13.193 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.578 14.228 -11.488 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.105 13.756 -12.271 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.598 12.448 -16.298 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.148 12.392 -15.268 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.194 13.832 -15.255 1.00 0.00 H new ATOM 496 N ALA A 32 6.870 12.308 -9.509 1.00 0.00 N ATOM 497 CA ALA A 32 6.424 12.800 -8.216 1.00 0.00 C ATOM 498 C ALA A 32 7.258 14.021 -7.849 1.00 0.00 C ATOM 499 O ALA A 32 8.485 13.990 -7.954 1.00 0.00 O ATOM 500 CB ALA A 32 6.568 11.703 -7.156 1.00 0.00 C ATOM 0 H ALA A 32 7.882 12.341 -9.636 1.00 0.00 H new ATOM 0 HA ALA A 32 5.372 13.081 -8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.231 12.083 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.962 10.842 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.613 11.403 -7.083 1.00 0.00 H new ATOM 506 N GLU A 33 6.593 15.081 -7.406 1.00 0.00 N ATOM 507 CA GLU A 33 7.193 16.297 -6.889 1.00 0.00 C ATOM 508 C GLU A 33 7.046 16.254 -5.367 1.00 0.00 C ATOM 509 O GLU A 33 5.965 15.939 -4.850 1.00 0.00 O ATOM 510 CB GLU A 33 6.466 17.512 -7.492 1.00 0.00 C ATOM 511 CG GLU A 33 7.247 18.812 -7.273 1.00 0.00 C ATOM 512 CD GLU A 33 6.460 20.058 -7.708 1.00 0.00 C ATOM 513 OE1 GLU A 33 6.060 20.157 -8.890 1.00 0.00 O ATOM 514 OE2 GLU A 33 6.282 20.972 -6.870 1.00 0.00 O ATOM 0 H GLU A 33 5.574 15.114 -7.399 1.00 0.00 H new ATOM 0 HA GLU A 33 8.247 16.379 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.318 17.353 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.477 17.603 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.507 18.901 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.183 18.766 -7.829 1.00 0.00 H new ATOM 521 N VAL A 34 8.126 16.549 -4.643 1.00 0.00 N ATOM 522 CA VAL A 34 8.208 16.343 -3.204 1.00 0.00 C ATOM 523 C VAL A 34 9.079 17.423 -2.558 1.00 0.00 C ATOM 524 O VAL A 34 9.970 17.967 -3.208 1.00 0.00 O ATOM 525 CB VAL A 34 8.793 14.939 -2.896 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.015 13.785 -3.551 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.273 14.797 -3.293 1.00 0.00 C ATOM 0 H VAL A 34 8.976 16.942 -5.048 1.00 0.00 H new ATOM 0 HA VAL A 34 7.202 16.408 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 34 8.696 14.863 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.484 12.836 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.985 13.792 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.024 13.909 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.620 13.792 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.381 14.970 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.868 15.528 -2.746 1.00 0.00 H new ATOM 537 N LYS A 35 8.854 17.737 -1.282 1.00 0.00 N ATOM 538 CA LYS A 35 9.827 18.486 -0.488 1.00 0.00 C ATOM 539 C LYS A 35 10.690 17.456 0.226 1.00 0.00 C ATOM 540 O LYS A 35 10.339 16.274 0.267 1.00 0.00 O ATOM 541 CB LYS A 35 9.165 19.448 0.516 1.00 0.00 C ATOM 542 CG LYS A 35 8.819 20.783 -0.148 1.00 0.00 C ATOM 543 CD LYS A 35 8.626 21.914 0.870 1.00 0.00 C ATOM 544 CE LYS A 35 8.377 23.240 0.137 1.00 0.00 C ATOM 545 NZ LYS A 35 8.209 24.379 1.075 1.00 0.00 N ATOM 0 H LYS A 35 8.005 17.484 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 35 10.423 19.123 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.260 18.993 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.837 19.620 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.613 21.056 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.908 20.668 -0.735 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.784 21.686 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.509 21.999 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.212 23.444 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.485 23.148 -0.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.043 25.252 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.397 24.198 1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.069 24.485 1.650 1.00 0.00 H new ATOM 559 N SER A 36 11.800 17.886 0.805 1.00 0.00 N ATOM 560 CA SER A 36 12.790 16.984 1.367 1.00 0.00 C ATOM 561 C SER A 36 13.441 17.597 2.606 1.00 0.00 C ATOM 562 O SER A 36 13.536 18.822 2.731 1.00 0.00 O ATOM 563 CB SER A 36 13.819 16.672 0.273 1.00 0.00 C ATOM 564 OG SER A 36 14.469 17.850 -0.167 1.00 0.00 O ATOM 0 H SER A 36 12.039 18.873 0.898 1.00 0.00 H new ATOM 0 HA SER A 36 12.320 16.057 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.557 15.967 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.323 16.190 -0.570 1.00 0.00 H new ATOM 0 HG SER A 36 14.380 17.929 -1.140 1.00 0.00 H new ATOM 570 N ASP A 37 13.927 16.740 3.507 1.00 0.00 N ATOM 571 CA ASP A 37 14.746 17.143 4.661 1.00 0.00 C ATOM 572 C ASP A 37 16.061 16.343 4.719 1.00 0.00 C ATOM 573 O ASP A 37 16.853 16.485 5.651 1.00 0.00 O ATOM 574 CB ASP A 37 13.918 17.009 5.948 1.00 0.00 C ATOM 575 CG ASP A 37 14.628 17.614 7.174 1.00 0.00 C ATOM 576 OD1 ASP A 37 15.027 18.800 7.130 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.719 16.937 8.224 1.00 0.00 O ATOM 0 H ASP A 37 13.763 15.734 3.458 1.00 0.00 H new ATOM 0 HA ASP A 37 15.033 18.189 4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.956 17.502 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.712 15.955 6.135 1.00 0.00 H new ATOM 582 N PHE A 38 16.305 15.514 3.697 1.00 0.00 N ATOM 583 CA PHE A 38 17.460 14.640 3.527 1.00 0.00 C ATOM 584 C PHE A 38 17.754 14.563 2.024 1.00 0.00 C ATOM 585 O PHE A 38 16.886 14.893 1.208 1.00 0.00 O ATOM 586 CB PHE A 38 17.147 13.231 4.065 1.00 0.00 C ATOM 587 CG PHE A 38 16.661 13.169 5.503 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.303 13.404 5.794 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.559 12.892 6.551 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.849 13.385 7.123 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.102 12.862 7.881 1.00 0.00 C ATOM 592 CZ PHE A 38 15.748 13.111 8.168 1.00 0.00 C ATOM 0 H PHE A 38 15.653 15.435 2.917 1.00 0.00 H new ATOM 0 HA PHE A 38 18.317 15.030 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.390 12.777 3.425 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.046 12.621 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.607 13.600 4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.600 12.702 6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.810 13.581 7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.792 12.647 8.683 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.399 13.092 9.190 1.00 0.00 H new ATOM 602 N ALA A 39 18.956 14.115 1.649 1.00 0.00 N ATOM 603 CA ALA A 39 19.310 13.881 0.254 1.00 0.00 C ATOM 604 C ALA A 39 18.433 12.773 -0.347 1.00 0.00 C ATOM 605 O ALA A 39 18.022 11.847 0.357 1.00 0.00 O ATOM 606 CB ALA A 39 20.795 13.509 0.152 1.00 0.00 C ATOM 0 H ALA A 39 19.707 13.906 2.306 1.00 0.00 H new ATOM 0 HA ALA A 39 19.135 14.795 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 39 21.056 13.335 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.402 14.324 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.984 12.604 0.729 1.00 0.00 H new ATOM 612 N VAL A 40 18.211 12.832 -1.662 1.00 0.00 N ATOM 613 CA VAL A 40 17.462 11.844 -2.436 1.00 0.00 C ATOM 614 C VAL A 40 18.201 11.695 -3.767 1.00 0.00 C ATOM 615 O VAL A 40 18.658 12.698 -4.327 1.00 0.00 O ATOM 616 CB VAL A 40 16.004 12.307 -2.671 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.144 11.139 -3.175 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.316 12.896 -1.431 1.00 0.00 C ATOM 0 H VAL A 40 18.562 13.598 -2.237 1.00 0.00 H new ATOM 0 HA VAL A 40 17.404 10.895 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 40 16.082 13.102 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.122 11.482 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.552 10.765 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.146 10.339 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.299 13.194 -1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.287 12.146 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.873 13.767 -1.085 1.00 0.00 H new ATOM 628 N LYS A 41 18.340 10.469 -4.273 1.00 0.00 N ATOM 629 CA LYS A 41 19.037 10.184 -5.525 1.00 0.00 C ATOM 630 C LYS A 41 18.504 8.897 -6.153 1.00 0.00 C ATOM 631 O LYS A 41 17.724 8.167 -5.544 1.00 0.00 O ATOM 632 CB LYS A 41 20.575 10.197 -5.330 1.00 0.00 C ATOM 633 CG LYS A 41 21.128 9.594 -4.026 1.00 0.00 C ATOM 634 CD LYS A 41 20.844 8.096 -3.882 1.00 0.00 C ATOM 635 CE LYS A 41 21.232 7.565 -2.495 1.00 0.00 C ATOM 636 NZ LYS A 41 20.326 8.065 -1.432 1.00 0.00 N ATOM 0 H LYS A 41 17.966 9.636 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 41 18.830 10.981 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.025 9.662 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.914 11.231 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.205 9.758 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.694 10.122 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.784 7.910 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.395 7.548 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.211 6.475 -2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 41 22.256 7.862 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 20.876 8.265 -0.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.859 8.936 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.606 7.344 -1.222 1.00 0.00 H new ATOM 650 N VAL A 42 18.913 8.626 -7.386 1.00 0.00 N ATOM 651 CA VAL A 42 18.596 7.397 -8.101 1.00 0.00 C ATOM 652 C VAL A 42 18.990 6.159 -7.290 1.00 0.00 C ATOM 653 O VAL A 42 19.979 6.159 -6.552 1.00 0.00 O ATOM 654 CB VAL A 42 19.258 7.429 -9.492 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.919 6.171 -10.303 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.753 8.669 -10.237 1.00 0.00 C ATOM 0 H VAL A 42 19.488 9.270 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 42 17.517 7.330 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 42 20.340 7.463 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.402 6.226 -11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.275 5.288 -9.771 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.839 6.104 -10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.210 8.711 -11.226 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.669 8.615 -10.340 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.020 9.564 -9.676 1.00 0.00 H new ATOM 666 N GLY A 43 18.216 5.090 -7.481 1.00 0.00 N ATOM 667 CA GLY A 43 18.350 3.844 -6.762 1.00 0.00 C ATOM 668 C GLY A 43 17.853 4.007 -5.330 1.00 0.00 C ATOM 669 O GLY A 43 18.386 3.329 -4.450 1.00 0.00 O ATOM 0 H GLY A 43 17.458 5.078 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.781 3.062 -7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.393 3.528 -6.759 1.00 0.00 H new ATOM 673 N ASP A 44 16.882 4.901 -5.073 1.00 0.00 N ATOM 674 CA ASP A 44 16.380 5.058 -3.686 1.00 0.00 C ATOM 675 C ASP A 44 15.037 4.369 -3.585 1.00 0.00 C ATOM 676 O ASP A 44 14.227 4.488 -4.498 1.00 0.00 O ATOM 677 CB ASP A 44 16.201 6.513 -3.196 1.00 0.00 C ATOM 678 CG ASP A 44 17.414 7.110 -2.475 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.136 6.364 -1.780 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.636 8.340 -2.510 1.00 0.00 O ATOM 0 H ASP A 44 16.442 5.504 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 44 17.148 4.619 -3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.962 7.142 -4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.344 6.551 -2.524 1.00 0.00 H new ATOM 685 N LEU A 45 14.758 3.690 -2.472 1.00 0.00 N ATOM 686 CA LEU A 45 13.410 3.191 -2.222 1.00 0.00 C ATOM 687 C LEU A 45 12.559 4.342 -1.687 1.00 0.00 C ATOM 688 O LEU A 45 13.087 5.226 -1.007 1.00 0.00 O ATOM 689 CB LEU A 45 13.448 2.071 -1.170 1.00 0.00 C ATOM 690 CG LEU A 45 12.166 1.210 -1.127 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.228 0.087 -2.169 1.00 0.00 C ATOM 692 CD2 LEU A 45 11.978 0.631 0.277 1.00 0.00 C ATOM 0 H LEU A 45 15.437 3.476 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 45 12.990 2.798 -3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.302 1.424 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.610 2.514 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 45 11.312 1.843 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.315 -0.506 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.327 0.520 -3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.087 -0.552 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.073 0.025 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.837 0.011 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.890 1.444 0.997 1.00 0.00 H new ATOM 704 N LEU A 46 11.248 4.286 -1.913 1.00 0.00 N ATOM 705 CA LEU A 46 10.251 5.129 -1.272 1.00 0.00 C ATOM 706 C LEU A 46 9.146 4.197 -0.807 1.00 0.00 C ATOM 707 O LEU A 46 8.658 3.384 -1.592 1.00 0.00 O ATOM 708 CB LEU A 46 9.630 6.165 -2.227 1.00 0.00 C ATOM 709 CG LEU A 46 10.598 7.151 -2.879 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.824 8.044 -3.857 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.293 8.044 -1.849 1.00 0.00 C ATOM 0 H LEU A 46 10.839 3.625 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 46 10.727 5.686 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.104 5.629 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.882 6.734 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 46 11.362 6.570 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.510 8.750 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.359 7.425 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.052 8.592 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.971 8.728 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.545 8.616 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.858 7.424 -1.153 1.00 0.00 H new ATOM 723 N SER A 47 8.701 4.371 0.428 1.00 0.00 N ATOM 724 CA SER A 47 7.545 3.660 0.971 1.00 0.00 C ATOM 725 C SER A 47 6.703 4.643 1.787 1.00 0.00 C ATOM 726 O SER A 47 7.275 5.540 2.414 1.00 0.00 O ATOM 727 CB SER A 47 7.987 2.476 1.842 1.00 0.00 C ATOM 728 OG SER A 47 8.940 1.668 1.174 1.00 0.00 O ATOM 0 H SER A 47 9.133 5.015 1.091 1.00 0.00 H new ATOM 0 HA SER A 47 6.951 3.258 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.413 2.847 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.118 1.873 2.106 1.00 0.00 H new ATOM 0 HG SER A 47 9.203 0.924 1.755 1.00 0.00 H new ATOM 734 N PRO A 48 5.365 4.523 1.776 1.00 0.00 N ATOM 735 CA PRO A 48 4.497 5.477 2.445 1.00 0.00 C ATOM 736 C PRO A 48 4.658 5.391 3.962 1.00 0.00 C ATOM 737 O PRO A 48 4.882 4.317 4.528 1.00 0.00 O ATOM 738 CB PRO A 48 3.072 5.127 2.004 1.00 0.00 C ATOM 739 CG PRO A 48 3.156 3.648 1.630 1.00 0.00 C ATOM 740 CD PRO A 48 4.581 3.502 1.097 1.00 0.00 C ATOM 0 HA PRO A 48 4.745 6.504 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.353 5.296 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.755 5.736 1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.981 3.004 2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.415 3.381 0.877 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.975 2.506 1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.610 3.641 0.016 1.00 0.00 H new ATOM 748 N LEU A 49 4.467 6.537 4.612 1.00 0.00 N ATOM 749 CA LEU A 49 4.393 6.684 6.065 1.00 0.00 C ATOM 750 C LEU A 49 3.022 7.262 6.421 1.00 0.00 C ATOM 751 O LEU A 49 2.406 6.849 7.402 1.00 0.00 O ATOM 752 CB LEU A 49 5.522 7.609 6.557 1.00 0.00 C ATOM 753 CG LEU A 49 6.944 7.103 6.249 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.962 8.177 6.635 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.276 5.803 6.989 1.00 0.00 C ATOM 0 H LEU A 49 4.355 7.424 4.122 1.00 0.00 H new ATOM 0 HA LEU A 49 4.517 5.717 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.393 8.591 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.423 7.741 7.634 1.00 0.00 H new ATOM 0 HG LEU A 49 6.991 6.895 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.968 7.819 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.768 9.085 6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.876 8.394 7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.289 5.490 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.204 5.968 8.064 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.572 5.026 6.693 1.00 0.00 H new ATOM 767 N GLN A 50 2.532 8.179 5.584 1.00 0.00 N ATOM 768 CA GLN A 50 1.174 8.709 5.548 1.00 0.00 C ATOM 769 C GLN A 50 0.952 9.235 4.120 1.00 0.00 C ATOM 770 O GLN A 50 1.870 9.185 3.299 1.00 0.00 O ATOM 771 CB GLN A 50 0.957 9.788 6.632 1.00 0.00 C ATOM 772 CG GLN A 50 2.043 10.876 6.668 1.00 0.00 C ATOM 773 CD GLN A 50 1.644 12.097 7.499 1.00 0.00 C ATOM 774 OE1 GLN A 50 1.069 11.991 8.579 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.937 13.292 7.006 1.00 0.00 N ATOM 0 H GLN A 50 3.119 8.599 4.863 1.00 0.00 H new ATOM 0 HA GLN A 50 0.438 7.938 5.778 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.011 10.262 6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.913 9.303 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.961 10.451 7.075 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.264 11.194 5.649 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.415 13.370 6.108 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.685 14.133 7.524 1.00 0.00 H new ATOM 784 N ASN A 51 -0.232 9.777 3.815 1.00 0.00 N ATOM 785 CA ASN A 51 -0.582 10.255 2.470 1.00 0.00 C ATOM 786 C ASN A 51 0.455 11.222 1.877 1.00 0.00 C ATOM 787 O ASN A 51 0.677 11.213 0.666 1.00 0.00 O ATOM 788 CB ASN A 51 -1.958 10.938 2.502 1.00 0.00 C ATOM 789 CG ASN A 51 -2.324 11.509 1.132 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.751 10.781 0.241 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.166 12.808 0.931 1.00 0.00 N ATOM 0 H ASN A 51 -0.980 9.898 4.498 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.602 9.377 1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.716 10.220 2.814 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.953 11.738 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.400 13.216 0.026 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.810 13.401 1.681 1.00 0.00 H new ATOM 798 N ALA A 52 1.091 12.044 2.722 1.00 0.00 N ATOM 799 CA ALA A 52 1.958 13.131 2.333 1.00 0.00 C ATOM 800 C ALA A 52 3.386 12.965 2.868 1.00 0.00 C ATOM 801 O ALA A 52 4.148 13.917 2.766 1.00 0.00 O ATOM 802 CB ALA A 52 1.331 14.462 2.775 1.00 0.00 C ATOM 0 H ALA A 52 1.003 11.954 3.734 1.00 0.00 H new ATOM 0 HA ALA A 52 2.051 13.125 1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.982 15.286 2.483 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.358 14.582 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.207 14.464 3.858 1.00 0.00 H new ATOM 808 N LEU A 53 3.790 11.807 3.408 1.00 0.00 N ATOM 809 CA LEU A 53 5.186 11.528 3.750 1.00 0.00 C ATOM 810 C LEU A 53 5.530 10.133 3.269 1.00 0.00 C ATOM 811 O LEU A 53 4.781 9.188 3.524 1.00 0.00 O ATOM 812 CB LEU A 53 5.477 11.577 5.263 1.00 0.00 C ATOM 813 CG LEU A 53 5.607 12.975 5.895 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.635 12.842 7.422 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.890 13.695 5.460 1.00 0.00 C ATOM 0 H LEU A 53 3.154 11.038 3.619 1.00 0.00 H new ATOM 0 HA LEU A 53 5.783 12.304 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.681 11.042 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.402 11.031 5.450 1.00 0.00 H new ATOM 0 HG LEU A 53 4.750 13.559 5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.727 13.831 7.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.712 12.373 7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.486 12.228 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.935 14.676 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.757 13.107 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.891 13.814 4.376 1.00 0.00 H new ATOM 827 N TYR A 54 6.693 10.002 2.643 1.00 0.00 N ATOM 828 CA TYR A 54 7.282 8.730 2.264 1.00 0.00 C ATOM 829 C TYR A 54 8.702 8.727 2.823 1.00 0.00 C ATOM 830 O TYR A 54 9.349 9.777 2.907 1.00 0.00 O ATOM 831 CB TYR A 54 7.278 8.547 0.733 1.00 0.00 C ATOM 832 CG TYR A 54 5.981 8.045 0.107 1.00 0.00 C ATOM 833 CD1 TYR A 54 4.785 8.780 0.226 1.00 0.00 C ATOM 834 CD2 TYR A 54 5.976 6.850 -0.640 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.595 8.325 -0.371 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.797 6.393 -1.253 1.00 0.00 C ATOM 837 CZ TYR A 54 3.598 7.127 -1.122 1.00 0.00 C ATOM 838 OH TYR A 54 2.460 6.670 -1.716 1.00 0.00 O ATOM 0 H TYR A 54 7.267 10.803 2.379 1.00 0.00 H new ATOM 0 HA TYR A 54 6.706 7.897 2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.529 9.504 0.275 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.074 7.850 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.782 9.705 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.887 6.280 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.681 8.889 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.808 5.478 -1.826 1.00 0.00 H new ATOM 0 HH TYR A 54 2.652 5.834 -2.190 1.00 0.00 H new ATOM 848 N CYS A 55 9.180 7.554 3.234 1.00 0.00 N ATOM 849 CA CYS A 55 10.573 7.368 3.607 1.00 0.00 C ATOM 850 C CYS A 55 11.477 7.446 2.370 1.00 0.00 C ATOM 851 O CYS A 55 10.983 7.388 1.244 1.00 0.00 O ATOM 852 CB CYS A 55 10.745 6.041 4.352 1.00 0.00 C ATOM 853 SG CYS A 55 10.492 4.598 3.283 1.00 0.00 S ATOM 0 H CYS A 55 8.612 6.711 3.316 1.00 0.00 H new ATOM 0 HA CYS A 55 10.873 8.171 4.280 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.746 5.998 4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.039 6.001 5.182 1.00 0.00 H new ATOM 0 HG CYS A 55 10.654 3.510 3.976 1.00 0.00 H new ATOM 859 N ILE A 56 12.794 7.488 2.578 1.00 0.00 N ATOM 860 CA ILE A 56 13.808 7.452 1.530 1.00 0.00 C ATOM 861 C ILE A 56 14.729 6.261 1.804 1.00 0.00 C ATOM 862 O ILE A 56 14.915 5.834 2.949 1.00 0.00 O ATOM 863 CB ILE A 56 14.637 8.768 1.497 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.784 10.059 1.459 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.617 8.798 0.296 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.564 11.243 2.039 1.00 0.00 C ATOM 0 H ILE A 56 13.195 7.550 3.514 1.00 0.00 H new ATOM 0 HA ILE A 56 13.321 7.350 0.560 1.00 0.00 H new ATOM 0 HB ILE A 56 15.184 8.759 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.493 10.278 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.865 9.910 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.178 9.733 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.309 7.959 0.370 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.054 8.724 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.945 12.140 2.002 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.833 11.030 3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.470 11.403 1.454 1.00 0.00 H new ATOM 878 N ASN A 57 15.366 5.788 0.736 1.00 0.00 N ATOM 879 CA ASN A 57 16.476 4.847 0.680 1.00 0.00 C ATOM 880 C ASN A 57 16.101 3.436 1.085 1.00 0.00 C ATOM 881 O ASN A 57 16.134 2.557 0.228 1.00 0.00 O ATOM 882 CB ASN A 57 17.687 5.352 1.485 1.00 0.00 C ATOM 883 CG ASN A 57 18.911 4.510 1.152 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.394 3.727 1.960 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.413 4.651 -0.059 1.00 0.00 N ATOM 0 H ASN A 57 15.090 6.084 -0.200 1.00 0.00 H new ATOM 0 HA ASN A 57 16.759 4.793 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.880 6.399 1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.475 5.297 2.553 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.223 4.100 -0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.991 5.311 -0.712 1.00 0.00 H new ATOM 892 N ARG A 58 15.748 3.242 2.358 1.00 0.00 N ATOM 893 CA ARG A 58 15.343 1.981 2.974 1.00 0.00 C ATOM 894 C ARG A 58 14.852 2.176 4.414 1.00 0.00 C ATOM 895 O ARG A 58 14.524 1.177 5.055 1.00 0.00 O ATOM 896 CB ARG A 58 16.512 0.966 2.956 1.00 0.00 C ATOM 897 CG ARG A 58 17.689 1.346 3.879 1.00 0.00 C ATOM 898 CD ARG A 58 18.922 0.467 3.636 1.00 0.00 C ATOM 899 NE ARG A 58 18.684 -0.945 3.990 1.00 0.00 N ATOM 900 CZ ARG A 58 19.498 -1.970 3.699 1.00 0.00 C ATOM 901 NH1 ARG A 58 20.638 -1.766 3.042 1.00 0.00 N ATOM 902 NH2 ARG A 58 19.165 -3.201 4.071 1.00 0.00 N ATOM 0 H ARG A 58 15.738 4.012 3.027 1.00 0.00 H new ATOM 0 HA ARG A 58 14.513 1.591 2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 58 16.134 -0.013 3.251 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.881 0.871 1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 58 17.952 2.391 3.718 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.378 1.253 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 58 19.210 0.532 2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.759 0.849 4.221 1.00 0.00 H new ATOM 0 HE ARG A 58 17.827 -1.160 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.899 -0.823 2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 58 21.250 -2.553 2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 58 18.293 -3.363 4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 58 19.781 -3.984 3.852 1.00 0.00 H new ATOM 916 N GLU A 59 14.837 3.400 4.966 1.00 0.00 N ATOM 917 CA GLU A 59 14.619 3.603 6.397 1.00 0.00 C ATOM 918 C GLU A 59 13.697 4.791 6.654 1.00 0.00 C ATOM 919 O GLU A 59 13.780 5.828 5.997 1.00 0.00 O ATOM 920 CB GLU A 59 15.964 3.741 7.134 1.00 0.00 C ATOM 921 CG GLU A 59 16.792 4.985 6.765 1.00 0.00 C ATOM 922 CD GLU A 59 18.183 4.936 7.423 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.287 5.131 8.656 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.186 4.695 6.714 1.00 0.00 O ATOM 0 H GLU A 59 14.974 4.262 4.437 1.00 0.00 H new ATOM 0 HA GLU A 59 14.115 2.723 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.772 3.758 8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.563 2.853 6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.900 5.047 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.266 5.885 7.085 1.00 0.00 H new ATOM 931 N LYS A 60 12.816 4.620 7.639 1.00 0.00 N ATOM 932 CA LYS A 60 11.700 5.526 7.915 1.00 0.00 C ATOM 933 C LYS A 60 12.151 6.903 8.395 1.00 0.00 C ATOM 934 O LYS A 60 11.389 7.860 8.268 1.00 0.00 O ATOM 935 CB LYS A 60 10.735 4.899 8.938 1.00 0.00 C ATOM 936 CG LYS A 60 10.126 3.575 8.445 1.00 0.00 C ATOM 937 CD LYS A 60 9.051 3.065 9.414 1.00 0.00 C ATOM 938 CE LYS A 60 8.459 1.747 8.898 1.00 0.00 C ATOM 939 NZ LYS A 60 7.419 1.203 9.808 1.00 0.00 N ATOM 0 H LYS A 60 12.859 3.830 8.282 1.00 0.00 H new ATOM 0 HA LYS A 60 11.183 5.675 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.267 4.724 9.873 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.933 5.605 9.155 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.690 3.718 7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.911 2.826 8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.483 2.916 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.263 3.810 9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.027 1.907 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.257 1.014 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.048 0.313 9.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.836 1.024 10.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.644 1.890 9.900 1.00 0.00 H new ATOM 953 N LEU A 61 13.355 7.012 8.964 1.00 0.00 N ATOM 954 CA LEU A 61 13.848 8.251 9.554 1.00 0.00 C ATOM 955 C LEU A 61 14.056 9.329 8.498 1.00 0.00 C ATOM 956 O LEU A 61 13.856 10.510 8.779 1.00 0.00 O ATOM 957 CB LEU A 61 15.185 8.010 10.280 1.00 0.00 C ATOM 958 CG LEU A 61 15.173 6.901 11.348 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.539 6.851 12.035 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.062 7.104 12.381 1.00 0.00 C ATOM 0 H LEU A 61 14.015 6.237 9.026 1.00 0.00 H new ATOM 0 HA LEU A 61 13.093 8.589 10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.943 7.764 9.536 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.494 8.942 10.754 1.00 0.00 H new ATOM 0 HG LEU A 61 14.971 5.953 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.537 6.067 12.793 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.311 6.638 11.295 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.744 7.812 12.507 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.094 6.297 13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.206 8.059 12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.094 7.101 11.880 1.00 0.00 H new ATOM 972 N HIS A 62 14.487 8.927 7.304 1.00 0.00 N ATOM 973 CA HIS A 62 14.790 9.838 6.211 1.00 0.00 C ATOM 974 C HIS A 62 13.509 10.001 5.400 1.00 0.00 C ATOM 975 O HIS A 62 12.974 8.993 4.941 1.00 0.00 O ATOM 976 CB HIS A 62 15.925 9.255 5.352 1.00 0.00 C ATOM 977 CG HIS A 62 17.222 8.975 6.080 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.272 8.229 5.589 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.594 9.408 7.328 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.245 8.214 6.515 1.00 0.00 C ATOM 981 NE2 HIS A 62 18.880 8.922 7.599 1.00 0.00 N ATOM 0 H HIS A 62 14.636 7.946 7.069 1.00 0.00 H new ATOM 0 HA HIS A 62 15.125 10.808 6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.575 8.326 4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.130 9.947 4.536 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.997 10.019 7.989 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.190 7.704 6.404 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.428 9.074 8.446 1.00 0.00 H new ATOM 989 N THR A 63 13.004 11.222 5.209 1.00 0.00 N ATOM 990 CA THR A 63 11.679 11.440 4.642 1.00 0.00 C ATOM 991 C THR A 63 11.648 12.520 3.556 1.00 0.00 C ATOM 992 O THR A 63 12.431 13.474 3.564 1.00 0.00 O ATOM 993 CB THR A 63 10.723 11.798 5.796 1.00 0.00 C ATOM 994 OG1 THR A 63 11.241 12.858 6.585 1.00 0.00 O ATOM 995 CG2 THR A 63 10.522 10.609 6.734 1.00 0.00 C ATOM 0 H THR A 63 13.502 12.081 5.443 1.00 0.00 H new ATOM 0 HA THR A 63 11.367 10.523 4.143 1.00 0.00 H new ATOM 0 HB THR A 63 9.781 12.089 5.332 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.613 13.065 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.843 10.891 7.539 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.098 9.774 6.177 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.482 10.313 7.157 1.00 0.00 H new ATOM 1003 N VAL A 64 10.674 12.379 2.659 1.00 0.00 N ATOM 1004 CA VAL A 64 10.254 13.361 1.669 1.00 0.00 C ATOM 1005 C VAL A 64 8.765 13.616 1.913 1.00 0.00 C ATOM 1006 O VAL A 64 8.056 12.717 2.379 1.00 0.00 O ATOM 1007 CB VAL A 64 10.476 12.850 0.230 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.876 13.201 -0.266 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.206 11.352 0.026 1.00 0.00 C ATOM 0 H VAL A 64 10.125 11.521 2.603 1.00 0.00 H new ATOM 0 HA VAL A 64 10.842 14.273 1.770 1.00 0.00 H new ATOM 0 HB VAL A 64 9.726 13.370 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.006 12.829 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.005 14.283 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.619 12.741 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.389 11.088 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.868 10.772 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.169 11.131 0.279 1.00 0.00 H new ATOM 1019 N LYS A 65 8.280 14.813 1.575 1.00 0.00 N ATOM 1020 CA LYS A 65 6.883 15.193 1.768 1.00 0.00 C ATOM 1021 C LYS A 65 6.246 15.291 0.396 1.00 0.00 C ATOM 1022 O LYS A 65 6.787 15.993 -0.457 1.00 0.00 O ATOM 1023 CB LYS A 65 6.802 16.517 2.543 1.00 0.00 C ATOM 1024 CG LYS A 65 5.369 16.872 2.965 1.00 0.00 C ATOM 1025 CD LYS A 65 5.308 18.266 3.603 1.00 0.00 C ATOM 1026 CE LYS A 65 3.868 18.582 4.027 1.00 0.00 C ATOM 1027 NZ LYS A 65 3.748 19.919 4.661 1.00 0.00 N ATOM 0 H LYS A 65 8.850 15.548 1.158 1.00 0.00 H new ATOM 0 HA LYS A 65 6.346 14.452 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.432 16.453 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.203 17.320 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.712 16.838 2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.001 16.129 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.969 18.309 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.661 19.016 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.216 18.536 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.521 17.819 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.758 20.088 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.349 19.956 5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.053 20.651 3.988 1.00 0.00 H new ATOM 1041 N VAL A 66 5.151 14.580 0.152 1.00 0.00 N ATOM 1042 CA VAL A 66 4.563 14.538 -1.186 1.00 0.00 C ATOM 1043 C VAL A 66 3.852 15.869 -1.440 1.00 0.00 C ATOM 1044 O VAL A 66 3.245 16.434 -0.526 1.00 0.00 O ATOM 1045 CB VAL A 66 3.620 13.328 -1.364 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.206 13.167 -2.840 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.293 12.022 -0.913 1.00 0.00 C ATOM 0 H VAL A 66 4.655 14.030 0.853 1.00 0.00 H new ATOM 0 HA VAL A 66 5.350 14.403 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 66 2.743 13.520 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.542 12.308 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.688 14.067 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.094 13.012 -3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.602 11.190 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.191 11.851 -1.507 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.564 12.097 0.140 1.00 0.00 H new ATOM 1057 N LEU A 67 3.899 16.343 -2.688 1.00 0.00 N ATOM 1058 CA LEU A 67 3.245 17.577 -3.114 1.00 0.00 C ATOM 1059 C LEU A 67 2.282 17.267 -4.259 1.00 0.00 C ATOM 1060 O LEU A 67 1.121 17.676 -4.197 1.00 0.00 O ATOM 1061 CB LEU A 67 4.294 18.608 -3.569 1.00 0.00 C ATOM 1062 CG LEU A 67 5.407 18.896 -2.543 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.521 19.677 -3.234 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.903 19.661 -1.315 1.00 0.00 C ATOM 0 H LEU A 67 4.401 15.871 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 67 2.690 17.998 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.753 18.254 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.785 19.543 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 67 5.780 17.940 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.316 19.888 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.922 19.087 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.122 20.615 -3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.732 19.834 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.485 20.618 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.133 19.076 -0.813 1.00 0.00 H new ATOM 1076 N SER A 68 2.742 16.501 -5.255 1.00 0.00 N ATOM 1077 CA SER A 68 2.005 16.149 -6.465 1.00 0.00 C ATOM 1078 C SER A 68 2.634 14.883 -7.050 1.00 0.00 C ATOM 1079 O SER A 68 3.829 14.651 -6.854 1.00 0.00 O ATOM 1080 CB SER A 68 2.133 17.272 -7.514 1.00 0.00 C ATOM 1081 OG SER A 68 1.698 18.536 -7.035 1.00 0.00 O ATOM 0 H SER A 68 3.677 16.095 -5.235 1.00 0.00 H new ATOM 0 HA SER A 68 0.954 16.000 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.173 17.349 -7.830 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.551 17.005 -8.396 1.00 0.00 H new ATOM 0 HG SER A 68 1.804 19.207 -7.741 1.00 0.00 H new ATOM 1087 N ALA A 69 1.872 14.090 -7.805 1.00 0.00 N ATOM 1088 CA ALA A 69 2.402 12.990 -8.600 1.00 0.00 C ATOM 1089 C ALA A 69 1.453 12.690 -9.762 1.00 0.00 C ATOM 1090 O ALA A 69 0.253 12.974 -9.676 1.00 0.00 O ATOM 1091 CB ALA A 69 2.603 11.747 -7.726 1.00 0.00 C ATOM 0 H ALA A 69 0.860 14.197 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 69 3.372 13.277 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.999 10.934 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.305 11.976 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.648 11.446 -7.296 1.00 0.00 H new ATOM 1097 N SER A 70 1.993 12.098 -10.826 1.00 0.00 N ATOM 1098 CA SER A 70 1.290 11.802 -12.075 1.00 0.00 C ATOM 1099 C SER A 70 1.922 10.578 -12.746 1.00 0.00 C ATOM 1100 O SER A 70 3.068 10.236 -12.449 1.00 0.00 O ATOM 1101 CB SER A 70 1.410 13.004 -13.030 1.00 0.00 C ATOM 1102 OG SER A 70 1.031 14.234 -12.426 1.00 0.00 O ATOM 0 H SER A 70 2.968 11.800 -10.843 1.00 0.00 H new ATOM 0 HA SER A 70 0.241 11.603 -11.854 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.439 13.080 -13.382 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.786 12.828 -13.906 1.00 0.00 H new ATOM 0 HG SER A 70 1.128 14.961 -13.076 1.00 0.00 H new ATOM 1108 N SER A 71 1.213 9.933 -13.676 1.00 0.00 N ATOM 1109 CA SER A 71 1.796 8.910 -14.542 1.00 0.00 C ATOM 1110 C SER A 71 2.946 9.528 -15.352 1.00 0.00 C ATOM 1111 O SER A 71 2.901 10.721 -15.676 1.00 0.00 O ATOM 1112 CB SER A 71 0.710 8.348 -15.468 1.00 0.00 C ATOM 1113 OG SER A 71 -0.440 7.967 -14.724 1.00 0.00 O ATOM 0 H SER A 71 0.223 10.106 -13.848 1.00 0.00 H new ATOM 0 HA SER A 71 2.195 8.091 -13.943 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.436 9.097 -16.211 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.099 7.487 -16.011 1.00 0.00 H new ATOM 0 HG SER A 71 -1.121 7.613 -15.333 1.00 0.00 H new ATOM 1119 N TYR A 72 3.984 8.747 -15.673 1.00 0.00 N ATOM 1120 CA TYR A 72 5.136 9.281 -16.391 1.00 0.00 C ATOM 1121 C TYR A 72 4.735 9.739 -17.795 1.00 0.00 C ATOM 1122 O TYR A 72 3.941 9.083 -18.476 1.00 0.00 O ATOM 1123 CB TYR A 72 6.275 8.253 -16.469 1.00 0.00 C ATOM 1124 CG TYR A 72 7.469 8.750 -17.264 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.436 9.568 -16.648 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.577 8.459 -18.640 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.501 10.099 -17.397 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.636 8.990 -19.396 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.606 9.812 -18.777 1.00 0.00 C ATOM 1130 OH TYR A 72 10.636 10.309 -19.520 1.00 0.00 O ATOM 0 H TYR A 72 4.046 7.754 -15.448 1.00 0.00 H new ATOM 0 HA TYR A 72 5.500 10.144 -15.833 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.598 7.999 -15.459 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.899 7.336 -16.923 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.359 9.789 -15.594 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.843 7.825 -19.115 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.239 10.726 -16.918 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.709 8.770 -20.451 1.00 0.00 H new ATOM 0 HH TYR A 72 10.546 10.007 -20.448 1.00 0.00 H new ATOM 1140 N SER A 73 5.313 10.853 -18.240 1.00 0.00 N ATOM 1141 CA SER A 73 5.293 11.345 -19.607 1.00 0.00 C ATOM 1142 C SER A 73 6.499 12.288 -19.738 1.00 0.00 C ATOM 1143 O SER A 73 6.758 13.041 -18.797 1.00 0.00 O ATOM 1144 CB SER A 73 3.975 12.078 -19.874 1.00 0.00 C ATOM 1145 OG SER A 73 2.899 11.161 -19.957 1.00 0.00 O ATOM 0 H SER A 73 5.836 11.468 -17.617 1.00 0.00 H new ATOM 0 HA SER A 73 5.359 10.538 -20.337 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.785 12.797 -19.077 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.050 12.644 -20.803 1.00 0.00 H new ATOM 0 HG SER A 73 3.145 10.327 -19.505 1.00 0.00 H new ATOM 1151 N PRO A 74 7.245 12.273 -20.856 1.00 0.00 N ATOM 1152 CA PRO A 74 8.521 12.978 -20.949 1.00 0.00 C ATOM 1153 C PRO A 74 8.366 14.494 -20.813 1.00 0.00 C ATOM 1154 O PRO A 74 9.100 15.130 -20.056 1.00 0.00 O ATOM 1155 CB PRO A 74 9.115 12.591 -22.308 1.00 0.00 C ATOM 1156 CG PRO A 74 7.941 12.032 -23.112 1.00 0.00 C ATOM 1157 CD PRO A 74 7.004 11.475 -22.046 1.00 0.00 C ATOM 0 HA PRO A 74 9.178 12.692 -20.128 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.557 13.454 -22.805 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.905 11.848 -22.196 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.457 12.808 -23.705 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.264 11.256 -23.806 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.963 11.548 -22.362 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.207 10.421 -21.858 1.00 0.00 H new ATOM 1165 N ASP A 75 7.401 15.076 -21.530 1.00 0.00 N ATOM 1166 CA ASP A 75 7.164 16.516 -21.485 1.00 0.00 C ATOM 1167 C ASP A 75 6.737 16.953 -20.084 1.00 0.00 C ATOM 1168 O ASP A 75 7.249 17.942 -19.568 1.00 0.00 O ATOM 1169 CB ASP A 75 6.103 16.920 -22.512 1.00 0.00 C ATOM 1170 CG ASP A 75 5.836 18.434 -22.454 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.707 19.221 -22.889 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.736 18.843 -22.023 1.00 0.00 O ATOM 0 H ASP A 75 6.771 14.567 -22.150 1.00 0.00 H new ATOM 0 HA ASP A 75 8.098 17.019 -21.733 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.435 16.643 -23.513 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.179 16.375 -22.320 1.00 0.00 H new ATOM 1177 N GLU A 76 5.850 16.185 -19.440 1.00 0.00 N ATOM 1178 CA GLU A 76 5.367 16.472 -18.094 1.00 0.00 C ATOM 1179 C GLU A 76 6.486 16.326 -17.059 1.00 0.00 C ATOM 1180 O GLU A 76 6.493 17.054 -16.065 1.00 0.00 O ATOM 1181 CB GLU A 76 4.205 15.532 -17.730 1.00 0.00 C ATOM 1182 CG GLU A 76 2.927 15.762 -18.553 1.00 0.00 C ATOM 1183 CD GLU A 76 2.156 17.019 -18.106 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.596 18.153 -18.401 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.089 16.881 -17.466 1.00 0.00 O ATOM 0 H GLU A 76 5.447 15.341 -19.846 1.00 0.00 H new ATOM 0 HA GLU A 76 5.017 17.504 -18.082 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.531 14.501 -17.866 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.970 15.655 -16.673 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.189 15.856 -19.607 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.279 14.891 -18.462 1.00 0.00 H new ATOM 1192 N TRP A 77 7.418 15.394 -17.265 1.00 0.00 N ATOM 1193 CA TRP A 77 8.574 15.204 -16.402 1.00 0.00 C ATOM 1194 C TRP A 77 9.458 16.444 -16.486 1.00 0.00 C ATOM 1195 O TRP A 77 9.732 17.063 -15.458 1.00 0.00 O ATOM 1196 CB TRP A 77 9.304 13.918 -16.825 1.00 0.00 C ATOM 1197 CG TRP A 77 10.669 13.654 -16.265 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.722 13.263 -17.011 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.160 13.689 -14.889 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.829 13.077 -16.213 1.00 0.00 N ATOM 1201 CE2 TRP A 77 12.538 13.311 -14.888 1.00 0.00 C ATOM 1202 CE3 TRP A 77 10.587 13.999 -13.639 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 13.300 13.245 -13.712 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 11.337 13.920 -12.452 1.00 0.00 C ATOM 1205 CH2 TRP A 77 12.693 13.549 -12.484 1.00 0.00 C ATOM 0 H TRP A 77 7.386 14.743 -18.049 1.00 0.00 H new ATOM 0 HA TRP A 77 8.281 15.083 -15.359 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.668 13.073 -16.560 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.387 13.926 -17.912 1.00 0.00 H new ATOM 0 HD1 TRP A 77 11.700 13.117 -18.081 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.748 12.801 -16.560 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.552 14.303 -13.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 14.342 12.963 -13.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.867 14.147 -11.506 1.00 0.00 H new ATOM 0 HH2 TRP A 77 13.264 13.498 -11.569 1.00 0.00 H new ATOM 1216 N GLU A 78 9.850 16.856 -17.696 1.00 0.00 N ATOM 1217 CA GLU A 78 10.721 18.011 -17.878 1.00 0.00 C ATOM 1218 C GLU A 78 10.052 19.290 -17.374 1.00 0.00 C ATOM 1219 O GLU A 78 10.688 20.090 -16.685 1.00 0.00 O ATOM 1220 CB GLU A 78 11.145 18.144 -19.349 1.00 0.00 C ATOM 1221 CG GLU A 78 12.124 17.037 -19.764 1.00 0.00 C ATOM 1222 CD GLU A 78 12.632 17.242 -21.204 1.00 0.00 C ATOM 1223 OE1 GLU A 78 13.672 17.914 -21.395 1.00 0.00 O ATOM 1224 OE2 GLU A 78 12.017 16.721 -22.161 1.00 0.00 O ATOM 0 H GLU A 78 9.573 16.401 -18.566 1.00 0.00 H new ATOM 0 HA GLU A 78 11.620 17.856 -17.282 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.262 18.105 -19.986 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.609 19.117 -19.507 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.970 17.022 -19.077 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.633 16.067 -19.685 1.00 0.00 H new ATOM 1231 N ARG A 79 8.757 19.457 -17.646 1.00 0.00 N ATOM 1232 CA ARG A 79 7.953 20.564 -17.145 1.00 0.00 C ATOM 1233 C ARG A 79 8.048 20.632 -15.626 1.00 0.00 C ATOM 1234 O ARG A 79 8.421 21.674 -15.087 1.00 0.00 O ATOM 1235 CB ARG A 79 6.515 20.334 -17.629 1.00 0.00 C ATOM 1236 CG ARG A 79 5.490 21.381 -17.178 1.00 0.00 C ATOM 1237 CD ARG A 79 4.094 20.900 -17.591 1.00 0.00 C ATOM 1238 NE ARG A 79 3.049 21.886 -17.269 1.00 0.00 N ATOM 1239 CZ ARG A 79 1.732 21.677 -17.391 1.00 0.00 C ATOM 1240 NH1 ARG A 79 1.261 20.503 -17.803 1.00 0.00 N ATOM 1241 NH2 ARG A 79 0.882 22.656 -17.096 1.00 0.00 N ATOM 0 H ARG A 79 8.230 18.811 -18.233 1.00 0.00 H new ATOM 0 HA ARG A 79 8.311 21.523 -17.520 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.518 20.300 -18.718 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.185 19.355 -17.281 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.539 21.520 -16.098 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.709 22.347 -17.634 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.083 20.698 -18.662 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.872 19.959 -17.087 1.00 0.00 H new ATOM 0 HE ARG A 79 3.351 22.798 -16.927 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.906 19.746 -18.031 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.255 20.359 -17.891 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.234 23.559 -16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.123 22.504 -17.187 1.00 0.00 H new ATOM 1255 N GLN A 80 7.755 19.532 -14.930 1.00 0.00 N ATOM 1256 CA GLN A 80 7.790 19.511 -13.475 1.00 0.00 C ATOM 1257 C GLN A 80 9.206 19.802 -12.966 1.00 0.00 C ATOM 1258 O GLN A 80 9.349 20.522 -11.978 1.00 0.00 O ATOM 1259 CB GLN A 80 7.207 18.194 -12.937 1.00 0.00 C ATOM 1260 CG GLN A 80 5.677 18.192 -13.096 1.00 0.00 C ATOM 1261 CD GLN A 80 5.045 16.828 -12.840 1.00 0.00 C ATOM 1262 OE1 GLN A 80 4.647 16.498 -11.726 1.00 0.00 O ATOM 1263 NE2 GLN A 80 4.920 16.020 -13.880 1.00 0.00 N ATOM 0 H GLN A 80 7.491 18.644 -15.356 1.00 0.00 H new ATOM 0 HA GLN A 80 7.154 20.307 -13.087 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.638 17.349 -13.475 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.472 18.072 -11.887 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.246 18.919 -12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.423 18.519 -14.104 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.257 16.313 -14.797 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.486 15.104 -13.765 1.00 0.00 H new ATOM 1272 N CYS A 81 10.254 19.342 -13.661 1.00 0.00 N ATOM 1273 CA CYS A 81 11.632 19.656 -13.297 1.00 0.00 C ATOM 1274 C CYS A 81 11.906 21.161 -13.335 1.00 0.00 C ATOM 1275 O CYS A 81 12.636 21.652 -12.477 1.00 0.00 O ATOM 1276 CB CYS A 81 12.629 18.924 -14.202 1.00 0.00 C ATOM 1277 SG CYS A 81 12.479 17.130 -13.986 1.00 0.00 S ATOM 0 H CYS A 81 10.167 18.747 -14.485 1.00 0.00 H new ATOM 0 HA CYS A 81 11.768 19.311 -12.272 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.446 19.188 -15.244 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.645 19.241 -13.966 1.00 0.00 H new ATOM 0 HG CYS A 81 13.548 16.672 -13.406 1.00 0.00 H new ATOM 1283 N LYS A 82 11.329 21.917 -14.281 1.00 0.00 N ATOM 1284 CA LYS A 82 11.468 23.369 -14.281 1.00 0.00 C ATOM 1285 C LYS A 82 10.645 23.958 -13.145 1.00 0.00 C ATOM 1286 O LYS A 82 11.110 24.841 -12.430 1.00 0.00 O ATOM 1287 CB LYS A 82 11.074 24.003 -15.626 1.00 0.00 C ATOM 1288 CG LYS A 82 11.793 23.438 -16.864 1.00 0.00 C ATOM 1289 CD LYS A 82 13.303 23.203 -16.697 1.00 0.00 C ATOM 1290 CE LYS A 82 13.904 22.828 -18.056 1.00 0.00 C ATOM 1291 NZ LYS A 82 15.362 22.564 -17.975 1.00 0.00 N ATOM 0 H LYS A 82 10.768 21.545 -15.047 1.00 0.00 H new ATOM 0 HA LYS A 82 12.522 23.601 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.000 23.880 -15.764 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.268 25.074 -15.573 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.323 22.493 -17.137 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.639 24.123 -17.698 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.783 24.101 -16.308 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.482 22.407 -15.974 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.398 21.943 -18.443 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.722 23.635 -18.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.729 22.348 -18.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.847 23.404 -17.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.534 21.755 -17.345 1.00 0.00 H new ATOM 1305 N VAL A 83 9.440 23.440 -12.918 1.00 0.00 N ATOM 1306 CA VAL A 83 8.558 23.914 -11.858 1.00 0.00 C ATOM 1307 C VAL A 83 9.187 23.739 -10.460 1.00 0.00 C ATOM 1308 O VAL A 83 8.732 24.390 -9.520 1.00 0.00 O ATOM 1309 CB VAL A 83 7.148 23.306 -12.041 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.169 23.627 -10.904 1.00 0.00 C ATOM 1311 CG2 VAL A 83 6.522 23.848 -13.341 1.00 0.00 C ATOM 0 H VAL A 83 9.047 22.676 -13.468 1.00 0.00 H new ATOM 0 HA VAL A 83 8.427 24.993 -11.937 1.00 0.00 H new ATOM 0 HB VAL A 83 7.298 22.226 -12.059 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.205 23.163 -11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.563 23.240 -9.964 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.042 24.707 -10.827 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.528 23.421 -13.472 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.445 24.934 -13.283 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.149 23.574 -14.189 1.00 0.00 H new ATOM 1321 N ALA A 84 10.270 22.963 -10.304 1.00 0.00 N ATOM 1322 CA ALA A 84 11.086 22.930 -9.088 1.00 0.00 C ATOM 1323 C ALA A 84 11.552 24.332 -8.654 1.00 0.00 C ATOM 1324 O ALA A 84 11.837 24.533 -7.474 1.00 0.00 O ATOM 1325 CB ALA A 84 12.306 22.030 -9.310 1.00 0.00 C ATOM 0 H ALA A 84 10.606 22.332 -11.032 1.00 0.00 H new ATOM 0 HA ALA A 84 10.461 22.531 -8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.911 22.007 -8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.974 21.020 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.902 22.422 -10.134 1.00 0.00 H new ATOM 1331 N GLY A 85 11.614 25.307 -9.573 1.00 0.00 N ATOM 1332 CA GLY A 85 11.826 26.705 -9.217 1.00 0.00 C ATOM 1333 C GLY A 85 11.867 27.670 -10.404 1.00 0.00 C ATOM 1334 O GLY A 85 11.471 28.824 -10.239 1.00 0.00 O ATOM 0 H GLY A 85 11.519 25.144 -10.575 1.00 0.00 H new ATOM 0 HA2 GLY A 85 11.031 27.018 -8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.764 26.787 -8.667 1.00 0.00 H new ATOM 1338 N LYS A 86 12.330 27.235 -11.583 1.00 0.00 N ATOM 1339 CA LYS A 86 12.492 28.062 -12.785 1.00 0.00 C ATOM 1340 C LYS A 86 12.872 27.178 -13.974 1.00 0.00 C ATOM 1341 O LYS A 86 13.324 26.047 -13.798 1.00 0.00 O ATOM 1342 CB LYS A 86 13.559 29.166 -12.578 1.00 0.00 C ATOM 1343 CG LYS A 86 14.945 28.643 -12.153 1.00 0.00 C ATOM 1344 CD LYS A 86 16.012 29.749 -12.092 1.00 0.00 C ATOM 1345 CE LYS A 86 15.702 30.807 -11.021 1.00 0.00 C ATOM 1346 NZ LYS A 86 16.755 31.852 -10.943 1.00 0.00 N ATOM 0 H LYS A 86 12.611 26.266 -11.731 1.00 0.00 H new ATOM 0 HA LYS A 86 11.541 28.555 -12.986 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.666 29.729 -13.505 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.200 29.863 -11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.864 28.169 -11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.267 27.873 -12.854 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.984 29.301 -11.885 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.085 30.233 -13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.743 31.276 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS A 86 15.602 30.321 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.504 32.544 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.666 31.410 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.833 32.335 -11.861 1.00 0.00 H new ATOM 1360 N THR A 87 12.765 27.725 -15.181 1.00 0.00 N ATOM 1361 CA THR A 87 13.251 27.194 -16.451 1.00 0.00 C ATOM 1362 C THR A 87 14.795 27.198 -16.507 1.00 0.00 C ATOM 1363 O THR A 87 15.400 27.815 -17.387 1.00 0.00 O ATOM 1364 CB THR A 87 12.567 27.997 -17.582 1.00 0.00 C ATOM 1365 OG1 THR A 87 12.530 29.386 -17.280 1.00 0.00 O ATOM 1366 CG2 THR A 87 11.112 27.547 -17.764 1.00 0.00 C ATOM 0 H THR A 87 12.299 28.623 -15.307 1.00 0.00 H new ATOM 0 HA THR A 87 12.985 26.144 -16.572 1.00 0.00 H new ATOM 0 HB THR A 87 13.150 27.817 -18.485 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.094 29.869 -18.013 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.650 28.125 -18.564 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.088 26.488 -18.021 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.563 27.708 -16.836 1.00 0.00 H new ATOM 1374 N GLN A 88 15.434 26.563 -15.519 1.00 0.00 N ATOM 1375 CA GLN A 88 16.878 26.425 -15.410 1.00 0.00 C ATOM 1376 C GLN A 88 17.414 25.752 -16.674 1.00 0.00 C ATOM 1377 O GLN A 88 18.398 26.257 -17.254 1.00 0.00 O ATOM 1378 CB GLN A 88 17.214 25.628 -14.134 1.00 0.00 C ATOM 1379 CG GLN A 88 18.723 25.560 -13.844 1.00 0.00 C ATOM 1380 CD GLN A 88 19.063 24.880 -12.508 1.00 0.00 C ATOM 1381 OE1 GLN A 88 18.238 24.236 -11.861 1.00 0.00 O ATOM 1382 NE2 GLN A 88 20.296 25.017 -12.050 1.00 0.00 N ATOM 1383 OXT GLN A 88 16.844 24.717 -17.083 1.00 0.00 O ATOM 0 H GLN A 88 14.936 26.117 -14.749 1.00 0.00 H new ATOM 0 HA GLN A 88 17.358 27.400 -15.326 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.707 26.084 -13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.823 24.615 -14.232 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.216 25.020 -14.653 1.00 0.00 H new ATOM 0 HG3 GLN A 88 19.130 26.571 -13.841 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.982 25.550 -12.584 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.561 24.589 -11.163 1.00 0.00 H new TER 1392 GLN A 88