USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 604 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 55 ASN : amide:sc= 2.09 K(o=3.5,f=-10!) USER MOD Set 1.2: A 57 GLN : amide:sc= -0.0138 K(o=3.5,f=2.4) USER MOD Set 1.3: A 58 THR OG1 : rot 180:sc= -0.254 USER MOD Set 1.4: A 62 TYR OH : rot 46:sc= 1.64 USER MOD Single : A 7 SER OG : rot 40:sc= -0.22 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 12 LYS NZ :NH3+ 150:sc= 0.295 (180deg=-0.262) USER MOD Single : A 14 SER OG : rot -70:sc= 0.939 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 2.41 (180deg=1.96) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 90:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 28 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-3.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00312 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 1.4 (180deg=1.29) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0644) USER MOD Single : A 37 GLN : amide:sc= 0.337 K(o=0.34,f=-0.54) USER MOD Single : A 39 MET CE :methyl -168:sc= -0.0892 (180deg=-0.325) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.19) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.107 (180deg=-0.528) USER MOD Single : A 49 CYS SG : rot 51:sc= 1.25 USER MOD Single : A 52 GLN : amide:sc= -0.698 K(o=-0.7,f=-1.8) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= 1.3 (180deg=1.11) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 66 ASN : amide:sc= 1.19 K(o=1.2,f=-0.19) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 73 SER OG : rot -170:sc= -0.531 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -13.814 3.996 -3.119 1.00 0.00 N ATOM 79 CA SER A 7 -13.315 2.989 -2.269 1.00 0.00 C ATOM 80 C SER A 7 -12.098 3.512 -1.544 1.00 0.00 C ATOM 81 O SER A 7 -11.299 4.248 -2.131 1.00 0.00 O ATOM 82 CB SER A 7 -12.967 1.816 -3.154 1.00 0.00 C ATOM 83 OG SER A 7 -14.102 1.411 -3.906 1.00 0.00 O ATOM 0 HA SER A 7 -14.041 2.687 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.155 2.089 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.611 0.985 -2.545 1.00 0.00 H new ATOM 0 HG SER A 7 -14.595 2.203 -4.206 1.00 0.00 H new ATOM 89 N CYS A 8 -11.968 3.189 -0.291 1.00 0.00 N ATOM 90 CA CYS A 8 -10.852 3.662 0.473 1.00 0.00 C ATOM 91 C CYS A 8 -10.309 2.587 1.393 1.00 0.00 C ATOM 92 O CYS A 8 -11.067 1.878 2.044 1.00 0.00 O ATOM 93 CB CYS A 8 -11.228 4.936 1.242 1.00 0.00 C ATOM 94 SG CYS A 8 -12.679 4.778 2.310 1.00 0.00 S ATOM 0 H CYS A 8 -12.622 2.599 0.224 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.050 3.914 -0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.377 5.240 1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.408 5.737 0.525 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.902 5.910 2.910 1.00 0.00 H new ATOM 100 N VAL A 9 -9.005 2.459 1.412 1.00 0.00 N ATOM 101 CA VAL A 9 -8.326 1.490 2.246 1.00 0.00 C ATOM 102 C VAL A 9 -7.644 2.198 3.382 1.00 0.00 C ATOM 103 O VAL A 9 -7.026 3.263 3.184 1.00 0.00 O ATOM 104 CB VAL A 9 -7.261 0.670 1.439 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.396 -0.190 2.351 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.936 -0.222 0.451 1.00 0.00 C ATOM 0 H VAL A 9 -8.377 3.028 0.845 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.075 0.794 2.623 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.624 1.392 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.672 -0.741 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.869 0.448 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.027 -0.893 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.185 -0.786 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.595 -0.914 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.522 0.381 -0.243 1.00 0.00 H new ATOM 116 N HIS A 10 -7.787 1.638 4.555 1.00 0.00 N ATOM 117 CA HIS A 10 -7.123 2.122 5.726 1.00 0.00 C ATOM 118 C HIS A 10 -5.746 1.538 5.751 1.00 0.00 C ATOM 119 O HIS A 10 -5.585 0.321 5.873 1.00 0.00 O ATOM 120 CB HIS A 10 -7.867 1.714 7.001 1.00 0.00 C ATOM 121 CG HIS A 10 -9.202 2.347 7.167 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.444 3.420 7.991 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.392 2.018 6.617 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.747 3.704 7.925 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.372 2.878 7.100 1.00 0.00 N ATOM 0 H HIS A 10 -8.377 0.822 4.721 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.091 3.211 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.990 0.631 7.004 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.250 1.967 7.863 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.556 1.215 5.914 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.228 4.502 8.472 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.365 2.874 6.867 1.00 0.00 H new ATOM 133 N TYR A 11 -4.768 2.360 5.603 1.00 0.00 N ATOM 134 CA TYR A 11 -3.422 1.890 5.597 1.00 0.00 C ATOM 135 C TYR A 11 -2.611 2.707 6.562 1.00 0.00 C ATOM 136 O TYR A 11 -2.775 3.922 6.634 1.00 0.00 O ATOM 137 CB TYR A 11 -2.800 1.956 4.171 1.00 0.00 C ATOM 138 CG TYR A 11 -2.447 3.357 3.666 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.405 4.191 3.108 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.137 3.835 3.756 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.068 5.458 2.658 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.797 5.090 3.309 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.763 5.899 2.763 1.00 0.00 C ATOM 144 OH TYR A 11 -1.429 7.155 2.323 1.00 0.00 O ATOM 0 H TYR A 11 -4.872 3.368 5.484 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.417 0.844 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.896 1.347 4.160 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.499 1.502 3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.426 3.849 3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.374 3.204 4.187 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.823 6.098 2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.223 5.437 3.387 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.473 7.310 2.470 1.00 0.00 H new ATOM 154 N LYS A 12 -1.788 2.084 7.334 1.00 0.00 N ATOM 155 CA LYS A 12 -0.911 2.851 8.148 1.00 0.00 C ATOM 156 C LYS A 12 0.487 2.448 7.790 1.00 0.00 C ATOM 157 O LYS A 12 0.735 1.300 7.484 1.00 0.00 O ATOM 158 CB LYS A 12 -1.180 2.693 9.668 1.00 0.00 C ATOM 159 CG LYS A 12 -0.299 1.686 10.386 1.00 0.00 C ATOM 160 CD LYS A 12 -0.551 1.682 11.874 1.00 0.00 C ATOM 161 CE LYS A 12 0.532 0.904 12.600 1.00 0.00 C ATOM 162 NZ LYS A 12 1.855 1.582 12.516 1.00 0.00 N ATOM 0 H LYS A 12 -1.704 1.071 7.419 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.077 3.910 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.054 3.665 10.145 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.221 2.403 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.483 0.690 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.749 1.918 10.195 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.581 2.706 12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.525 1.239 12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.252 0.783 13.646 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.609 -0.096 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.413 1.361 13.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.363 1.249 11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.715 2.610 12.452 1.00 0.00 H new ATOM 176 N PHE A 13 1.361 3.378 7.746 1.00 0.00 N ATOM 177 CA PHE A 13 2.739 3.092 7.475 1.00 0.00 C ATOM 178 C PHE A 13 3.413 2.882 8.826 1.00 0.00 C ATOM 179 O PHE A 13 2.767 3.051 9.873 1.00 0.00 O ATOM 180 CB PHE A 13 3.361 4.312 6.788 1.00 0.00 C ATOM 181 CG PHE A 13 4.326 4.009 5.696 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.607 3.551 5.958 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.937 4.182 4.392 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.472 3.269 4.928 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.787 3.904 3.363 1.00 0.00 C ATOM 186 CZ PHE A 13 6.058 3.445 3.626 1.00 0.00 C ATOM 0 H PHE A 13 1.154 4.366 7.895 1.00 0.00 H new ATOM 0 HA PHE A 13 2.855 2.217 6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.558 4.926 6.380 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.869 4.912 7.542 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.928 3.414 6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.942 4.544 4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.469 2.912 5.138 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.463 4.044 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.731 3.223 2.811 1.00 0.00 H new ATOM 196 N SER A 14 4.666 2.525 8.828 1.00 0.00 N ATOM 197 CA SER A 14 5.427 2.490 10.057 1.00 0.00 C ATOM 198 C SER A 14 5.514 3.927 10.624 1.00 0.00 C ATOM 199 O SER A 14 5.517 4.141 11.834 1.00 0.00 O ATOM 200 CB SER A 14 6.823 1.945 9.770 1.00 0.00 C ATOM 201 OG SER A 14 6.740 0.680 9.114 1.00 0.00 O ATOM 0 H SER A 14 5.188 2.253 7.995 1.00 0.00 H new ATOM 0 HA SER A 14 4.943 1.842 10.788 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.374 2.649 9.147 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.379 1.842 10.702 1.00 0.00 H new ATOM 0 HG SER A 14 6.410 0.006 9.744 1.00 0.00 H new ATOM 207 N SER A 15 5.507 4.895 9.710 1.00 0.00 N ATOM 208 CA SER A 15 5.579 6.303 10.029 1.00 0.00 C ATOM 209 C SER A 15 4.204 6.859 10.481 1.00 0.00 C ATOM 210 O SER A 15 4.105 8.000 10.915 1.00 0.00 O ATOM 211 CB SER A 15 6.040 7.035 8.773 1.00 0.00 C ATOM 212 OG SER A 15 7.138 6.344 8.190 1.00 0.00 O ATOM 0 H SER A 15 5.450 4.709 8.709 1.00 0.00 H new ATOM 0 HA SER A 15 6.275 6.452 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.220 7.103 8.058 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.331 8.056 9.022 1.00 0.00 H new ATOM 0 HG SER A 15 7.430 6.816 7.383 1.00 0.00 H new ATOM 218 N LYS A 16 3.165 6.051 10.378 1.00 0.00 N ATOM 219 CA LYS A 16 1.824 6.485 10.740 1.00 0.00 C ATOM 220 C LYS A 16 1.422 5.881 12.056 1.00 0.00 C ATOM 221 O LYS A 16 1.614 4.675 12.284 1.00 0.00 O ATOM 222 CB LYS A 16 0.786 6.086 9.681 1.00 0.00 C ATOM 223 CG LYS A 16 0.625 7.001 8.453 1.00 0.00 C ATOM 224 CD LYS A 16 1.921 7.286 7.725 1.00 0.00 C ATOM 225 CE LYS A 16 1.685 7.849 6.324 1.00 0.00 C ATOM 226 NZ LYS A 16 0.906 9.109 6.312 1.00 0.00 N ATOM 0 H LYS A 16 3.222 5.088 10.046 1.00 0.00 H new ATOM 0 HA LYS A 16 1.849 7.572 10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.039 5.088 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.184 6.013 10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.077 6.539 7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.184 7.945 8.771 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.513 7.995 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.504 6.368 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.648 8.023 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.162 7.103 5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.078 9.615 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.107 8.891 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.199 9.706 7.111 1.00 0.00 H new ATOM 240 N LEU A 17 0.870 6.699 12.909 1.00 0.00 N ATOM 241 CA LEU A 17 0.395 6.253 14.202 1.00 0.00 C ATOM 242 C LEU A 17 -1.072 5.876 14.093 1.00 0.00 C ATOM 243 O LEU A 17 -1.617 5.137 14.926 1.00 0.00 O ATOM 244 CB LEU A 17 0.591 7.334 15.294 1.00 0.00 C ATOM 245 CG LEU A 17 2.044 7.734 15.671 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.883 6.524 16.044 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.723 8.568 14.585 1.00 0.00 C ATOM 0 H LEU A 17 0.734 7.695 12.733 1.00 0.00 H new ATOM 0 HA LEU A 17 0.982 5.384 14.500 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.070 8.235 14.970 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.094 6.987 16.200 1.00 0.00 H new ATOM 0 HG LEU A 17 1.967 8.368 16.554 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.892 6.846 16.301 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.434 6.020 16.900 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.926 5.837 15.199 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.736 8.820 14.900 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.763 7.996 13.658 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.155 9.484 14.421 1.00 0.00 H new ATOM 259 N ASN A 18 -1.698 6.376 13.060 1.00 0.00 N ATOM 260 CA ASN A 18 -3.092 6.112 12.777 1.00 0.00 C ATOM 261 C ASN A 18 -3.216 5.679 11.336 1.00 0.00 C ATOM 262 O ASN A 18 -2.228 5.698 10.597 1.00 0.00 O ATOM 263 CB ASN A 18 -3.976 7.347 13.063 1.00 0.00 C ATOM 264 CG ASN A 18 -3.610 8.569 12.240 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.123 8.780 11.151 1.00 0.00 O ATOM 266 ND2 ASN A 18 -2.750 9.395 12.771 1.00 0.00 N ATOM 0 H ASN A 18 -1.250 6.988 12.378 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.446 5.317 13.433 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.017 7.089 12.869 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.901 7.598 14.121 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.488 10.247 12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.340 9.189 13.682 1.00 0.00 H new ATOM 273 N TYR A 19 -4.388 5.282 10.938 1.00 0.00 N ATOM 274 CA TYR A 19 -4.599 4.800 9.601 1.00 0.00 C ATOM 275 C TYR A 19 -4.997 5.895 8.662 1.00 0.00 C ATOM 276 O TYR A 19 -5.913 6.670 8.936 1.00 0.00 O ATOM 277 CB TYR A 19 -5.617 3.658 9.560 1.00 0.00 C ATOM 278 CG TYR A 19 -5.101 2.350 10.132 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.969 2.158 11.503 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.734 1.308 9.290 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.489 0.969 12.012 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.255 0.117 9.791 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.134 -0.047 11.152 1.00 0.00 C ATOM 284 OH TYR A 19 -3.651 -1.239 11.657 1.00 0.00 O ATOM 0 H TYR A 19 -5.222 5.282 11.525 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.640 4.407 9.263 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.507 3.958 10.113 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.923 3.495 8.527 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.247 2.952 12.180 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.826 1.434 8.221 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.392 0.835 13.079 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.976 -0.682 9.120 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.398 -1.854 11.815 1.00 0.00 H new ATOM 294 N ASP A 20 -4.296 5.952 7.573 1.00 0.00 N ATOM 295 CA ASP A 20 -4.576 6.859 6.495 1.00 0.00 C ATOM 296 C ASP A 20 -5.528 6.189 5.544 1.00 0.00 C ATOM 297 O ASP A 20 -5.859 5.012 5.720 1.00 0.00 O ATOM 298 CB ASP A 20 -3.298 7.263 5.745 1.00 0.00 C ATOM 299 CG ASP A 20 -2.669 8.546 6.235 1.00 0.00 C ATOM 300 OD1 ASP A 20 -3.169 9.629 5.877 1.00 0.00 O ATOM 301 OD2 ASP A 20 -1.645 8.517 6.934 1.00 0.00 O ATOM 0 H ASP A 20 -3.489 5.353 7.401 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.015 7.767 6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.569 6.458 5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.530 7.368 4.685 1.00 0.00 H new ATOM 306 N THR A 21 -5.933 6.885 4.525 1.00 0.00 N ATOM 307 CA THR A 21 -6.875 6.359 3.607 1.00 0.00 C ATOM 308 C THR A 21 -6.465 6.648 2.199 1.00 0.00 C ATOM 309 O THR A 21 -6.049 7.768 1.869 1.00 0.00 O ATOM 310 CB THR A 21 -8.305 6.874 3.889 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.263 8.225 4.417 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.052 5.946 4.840 1.00 0.00 C ATOM 0 H THR A 21 -5.616 7.831 4.314 1.00 0.00 H new ATOM 0 HA THR A 21 -6.892 5.277 3.741 1.00 0.00 H new ATOM 0 HB THR A 21 -8.849 6.887 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.176 8.538 4.589 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.054 6.337 5.018 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.123 4.952 4.398 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.514 5.884 5.786 1.00 0.00 H new ATOM 320 N VAL A 22 -6.497 5.646 1.390 1.00 0.00 N ATOM 321 CA VAL A 22 -6.195 5.818 0.016 1.00 0.00 C ATOM 322 C VAL A 22 -7.465 5.549 -0.782 1.00 0.00 C ATOM 323 O VAL A 22 -8.148 4.545 -0.549 1.00 0.00 O ATOM 324 CB VAL A 22 -4.993 4.924 -0.431 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.315 3.436 -0.496 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.367 5.446 -1.701 1.00 0.00 C ATOM 0 H VAL A 22 -6.732 4.691 1.662 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.869 6.841 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.246 5.002 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.429 2.886 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.625 3.087 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.121 3.269 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.534 4.804 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.111 5.452 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.003 6.460 -1.537 1.00 0.00 H new ATOM 336 N THR A 23 -7.827 6.472 -1.629 1.00 0.00 N ATOM 337 CA THR A 23 -9.035 6.365 -2.387 1.00 0.00 C ATOM 338 C THR A 23 -8.781 5.879 -3.803 1.00 0.00 C ATOM 339 O THR A 23 -7.742 6.184 -4.416 1.00 0.00 O ATOM 340 CB THR A 23 -9.793 7.705 -2.400 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.866 8.777 -2.624 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.528 7.936 -1.088 1.00 0.00 C ATOM 0 H THR A 23 -7.290 7.320 -1.811 1.00 0.00 H new ATOM 0 HA THR A 23 -9.657 5.617 -1.895 1.00 0.00 H new ATOM 0 HB THR A 23 -10.529 7.673 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.348 9.630 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.053 8.890 -1.128 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.247 7.132 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.811 7.951 -0.267 1.00 0.00 H new ATOM 350 N PHE A 24 -9.695 5.094 -4.276 1.00 0.00 N ATOM 351 CA PHE A 24 -9.684 4.551 -5.598 1.00 0.00 C ATOM 352 C PHE A 24 -11.105 4.278 -6.004 1.00 0.00 C ATOM 353 O PHE A 24 -12.015 4.376 -5.170 1.00 0.00 O ATOM 354 CB PHE A 24 -8.812 3.268 -5.666 1.00 0.00 C ATOM 355 CG PHE A 24 -9.083 2.256 -4.576 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.468 2.387 -3.346 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.933 1.178 -4.773 1.00 0.00 C ATOM 358 CE1 PHE A 24 -8.687 1.489 -2.352 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.152 0.272 -3.769 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.533 0.424 -2.560 1.00 0.00 C ATOM 0 H PHE A 24 -10.504 4.801 -3.729 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.239 5.264 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.969 2.790 -6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.762 3.557 -5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.801 3.219 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.426 1.052 -5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.197 1.610 -1.397 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.815 -0.564 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.708 -0.291 -1.769 1.00 0.00 H new ATOM 370 N ASP A 25 -11.308 3.951 -7.234 1.00 0.00 N ATOM 371 CA ASP A 25 -12.637 3.686 -7.730 1.00 0.00 C ATOM 372 C ASP A 25 -12.740 2.209 -8.042 1.00 0.00 C ATOM 373 O ASP A 25 -11.794 1.619 -8.594 1.00 0.00 O ATOM 374 CB ASP A 25 -12.900 4.533 -8.980 1.00 0.00 C ATOM 375 CG ASP A 25 -14.317 4.454 -9.499 1.00 0.00 C ATOM 376 OD1 ASP A 25 -15.158 5.283 -9.079 1.00 0.00 O ATOM 377 OD2 ASP A 25 -14.594 3.625 -10.393 1.00 0.00 O ATOM 0 H ASP A 25 -10.569 3.857 -7.931 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.387 3.950 -6.984 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.665 5.573 -8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.218 4.216 -9.769 1.00 0.00 H new ATOM 382 N GLY A 26 -13.820 1.602 -7.642 1.00 0.00 N ATOM 383 CA GLY A 26 -14.007 0.194 -7.883 1.00 0.00 C ATOM 384 C GLY A 26 -14.335 -0.523 -6.609 1.00 0.00 C ATOM 385 O GLY A 26 -15.382 -0.271 -6.008 1.00 0.00 O ATOM 0 H GLY A 26 -14.587 2.057 -7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.810 0.047 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.103 -0.228 -8.321 1.00 0.00 H new ATOM 389 N LEU A 27 -13.454 -1.402 -6.184 1.00 0.00 N ATOM 390 CA LEU A 27 -13.637 -2.116 -4.933 1.00 0.00 C ATOM 391 C LEU A 27 -12.257 -2.412 -4.347 1.00 0.00 C ATOM 392 O LEU A 27 -12.029 -2.274 -3.138 1.00 0.00 O ATOM 393 CB LEU A 27 -14.438 -3.434 -5.160 1.00 0.00 C ATOM 394 CG LEU A 27 -15.258 -4.001 -3.961 1.00 0.00 C ATOM 395 CD1 LEU A 27 -16.014 -5.245 -4.370 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.396 -4.296 -2.742 1.00 0.00 C ATOM 0 H LEU A 27 -12.599 -1.642 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.212 -1.505 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.127 -3.269 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.734 -4.203 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.965 -3.222 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.579 -5.624 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.700 -5.004 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.309 -6.006 -4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.022 -4.688 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.637 -5.033 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.911 -3.378 -2.408 1.00 0.00 H new ATOM 408 N HIS A 28 -11.333 -2.796 -5.203 1.00 0.00 N ATOM 409 CA HIS A 28 -9.977 -3.098 -4.775 1.00 0.00 C ATOM 410 C HIS A 28 -8.931 -2.500 -5.657 1.00 0.00 C ATOM 411 O HIS A 28 -9.185 -2.176 -6.823 1.00 0.00 O ATOM 412 CB HIS A 28 -9.725 -4.596 -4.555 1.00 0.00 C ATOM 413 CG HIS A 28 -10.321 -5.521 -5.548 1.00 0.00 C ATOM 414 ND1 HIS A 28 -11.113 -6.571 -5.180 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.218 -5.573 -6.892 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.474 -7.220 -6.278 1.00 0.00 C ATOM 417 NE2 HIS A 28 -10.953 -6.652 -7.357 1.00 0.00 N ATOM 0 H HIS A 28 -11.494 -2.908 -6.204 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.888 -2.615 -3.802 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.648 -4.762 -4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.104 -4.864 -3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.655 -4.886 -7.506 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.108 -8.094 -6.292 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.069 -6.947 -8.326 1.00 0.00 H new ATOM 425 N ILE A 29 -7.762 -2.338 -5.092 1.00 0.00 N ATOM 426 CA ILE A 29 -6.664 -1.764 -5.784 1.00 0.00 C ATOM 427 C ILE A 29 -5.466 -2.700 -5.805 1.00 0.00 C ATOM 428 O ILE A 29 -5.060 -3.232 -4.773 1.00 0.00 O ATOM 429 CB ILE A 29 -6.279 -0.361 -5.207 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.095 0.222 -5.959 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.966 -0.432 -3.709 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.869 1.696 -5.700 1.00 0.00 C ATOM 0 H ILE A 29 -7.556 -2.607 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.983 -1.613 -6.815 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.141 0.292 -5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.195 -0.328 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.245 0.070 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.703 0.561 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.842 -0.796 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.130 -1.112 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.007 2.038 -6.272 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.752 2.258 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.685 1.855 -4.637 1.00 0.00 H new ATOM 444 N SER A 30 -4.974 -2.969 -6.991 1.00 0.00 N ATOM 445 CA SER A 30 -3.762 -3.724 -7.176 1.00 0.00 C ATOM 446 C SER A 30 -2.589 -3.024 -6.449 1.00 0.00 C ATOM 447 O SER A 30 -2.485 -1.786 -6.452 1.00 0.00 O ATOM 448 CB SER A 30 -3.473 -3.825 -8.673 1.00 0.00 C ATOM 449 OG SER A 30 -4.617 -4.312 -9.366 1.00 0.00 O ATOM 0 H SER A 30 -5.410 -2.666 -7.862 1.00 0.00 H new ATOM 0 HA SER A 30 -3.878 -4.724 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.193 -2.846 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.626 -4.490 -8.843 1.00 0.00 H new ATOM 0 HG SER A 30 -4.419 -4.370 -10.324 1.00 0.00 H new ATOM 455 N LEU A 31 -1.732 -3.822 -5.851 1.00 0.00 N ATOM 456 CA LEU A 31 -0.591 -3.380 -5.068 1.00 0.00 C ATOM 457 C LEU A 31 0.299 -2.438 -5.866 1.00 0.00 C ATOM 458 O LEU A 31 0.760 -1.429 -5.352 1.00 0.00 O ATOM 459 CB LEU A 31 0.203 -4.605 -4.610 1.00 0.00 C ATOM 460 CG LEU A 31 1.410 -4.348 -3.723 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.995 -3.725 -2.414 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.164 -5.622 -3.475 1.00 0.00 C ATOM 0 H LEU A 31 -1.811 -4.838 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.953 -2.828 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.476 -5.269 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.541 -5.141 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 31 2.065 -3.649 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.877 -3.551 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.494 -2.776 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.314 -4.396 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.025 -5.417 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.510 -6.341 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.505 -6.034 -4.425 1.00 0.00 H new ATOM 474 N CYS A 32 0.497 -2.772 -7.122 1.00 0.00 N ATOM 475 CA CYS A 32 1.289 -1.972 -8.051 1.00 0.00 C ATOM 476 C CYS A 32 0.772 -0.535 -8.093 1.00 0.00 C ATOM 477 O CYS A 32 1.530 0.415 -7.970 1.00 0.00 O ATOM 478 CB CYS A 32 1.214 -2.581 -9.460 1.00 0.00 C ATOM 479 SG CYS A 32 2.171 -1.699 -10.714 1.00 0.00 S ATOM 0 H CYS A 32 0.110 -3.618 -7.540 1.00 0.00 H new ATOM 0 HA CYS A 32 2.324 -1.968 -7.708 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.563 -3.613 -9.415 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.170 -2.611 -9.773 1.00 0.00 H new ATOM 0 HG CYS A 32 2.039 -2.297 -11.861 1.00 0.00 H new ATOM 485 N ASP A 33 -0.528 -0.400 -8.175 1.00 0.00 N ATOM 486 CA ASP A 33 -1.162 0.896 -8.297 1.00 0.00 C ATOM 487 C ASP A 33 -1.068 1.614 -6.963 1.00 0.00 C ATOM 488 O ASP A 33 -0.683 2.788 -6.897 1.00 0.00 O ATOM 489 CB ASP A 33 -2.641 0.720 -8.686 1.00 0.00 C ATOM 490 CG ASP A 33 -3.343 1.999 -9.153 1.00 0.00 C ATOM 491 OD1 ASP A 33 -3.269 3.053 -8.484 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.988 1.960 -10.222 1.00 0.00 O ATOM 0 H ASP A 33 -1.180 -1.184 -8.159 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.661 1.479 -9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.706 -0.023 -9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.182 0.319 -7.829 1.00 0.00 H new ATOM 497 N LEU A 34 -1.323 0.873 -5.891 1.00 0.00 N ATOM 498 CA LEU A 34 -1.385 1.459 -4.563 1.00 0.00 C ATOM 499 C LEU A 34 -0.014 1.966 -4.117 1.00 0.00 C ATOM 500 O LEU A 34 0.097 3.048 -3.535 1.00 0.00 O ATOM 501 CB LEU A 34 -2.039 0.474 -3.539 1.00 0.00 C ATOM 502 CG LEU A 34 -1.183 -0.555 -2.792 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.398 0.074 -1.660 1.00 0.00 C ATOM 504 CD2 LEU A 34 -2.073 -1.630 -2.246 1.00 0.00 C ATOM 0 H LEU A 34 -1.490 -0.133 -5.918 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.035 2.333 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.543 1.080 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.812 -0.078 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.466 -0.973 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.194 -0.692 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.265 0.842 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.087 0.525 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.470 -2.366 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.797 -1.190 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.600 -2.118 -3.066 1.00 0.00 H new ATOM 516 N LYS A 35 1.029 1.193 -4.411 1.00 0.00 N ATOM 517 CA LYS A 35 2.382 1.563 -4.028 1.00 0.00 C ATOM 518 C LYS A 35 2.794 2.851 -4.696 1.00 0.00 C ATOM 519 O LYS A 35 3.421 3.701 -4.077 1.00 0.00 O ATOM 520 CB LYS A 35 3.396 0.466 -4.331 1.00 0.00 C ATOM 521 CG LYS A 35 3.184 -0.823 -3.545 1.00 0.00 C ATOM 522 CD LYS A 35 4.304 -1.831 -3.791 1.00 0.00 C ATOM 523 CE LYS A 35 4.431 -2.278 -5.228 1.00 0.00 C ATOM 524 NZ LYS A 35 5.620 -3.140 -5.404 1.00 0.00 N ATOM 0 H LYS A 35 0.959 0.308 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 35 2.373 1.706 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.359 0.238 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.396 0.845 -4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.129 -0.594 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.229 -1.266 -3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.250 -1.391 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.134 -2.706 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.534 -2.822 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.507 -1.407 -5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.718 -3.395 -6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.470 -2.628 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.509 -4.004 -4.836 1.00 0.00 H new ATOM 538 N LYS A 36 2.397 3.010 -5.946 1.00 0.00 N ATOM 539 CA LYS A 36 2.682 4.224 -6.703 1.00 0.00 C ATOM 540 C LYS A 36 2.032 5.437 -6.040 1.00 0.00 C ATOM 541 O LYS A 36 2.655 6.503 -5.928 1.00 0.00 O ATOM 542 CB LYS A 36 2.196 4.081 -8.153 1.00 0.00 C ATOM 543 CG LYS A 36 3.197 3.481 -9.154 1.00 0.00 C ATOM 544 CD LYS A 36 3.819 2.181 -8.677 1.00 0.00 C ATOM 545 CE LYS A 36 4.520 1.442 -9.806 1.00 0.00 C ATOM 546 NZ LYS A 36 5.532 2.269 -10.484 1.00 0.00 N ATOM 0 H LYS A 36 1.871 2.308 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 36 3.761 4.375 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.300 3.461 -8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.902 5.067 -8.513 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.690 3.306 -10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.989 4.206 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.534 2.391 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.045 1.543 -8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.996 0.546 -9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.779 1.112 -10.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.083 1.677 -11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.060 3.027 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.169 2.688 -9.776 1.00 0.00 H new ATOM 560 N GLN A 37 0.806 5.246 -5.556 1.00 0.00 N ATOM 561 CA GLN A 37 0.063 6.310 -4.884 1.00 0.00 C ATOM 562 C GLN A 37 0.797 6.730 -3.615 1.00 0.00 C ATOM 563 O GLN A 37 1.118 7.899 -3.420 1.00 0.00 O ATOM 564 CB GLN A 37 -1.341 5.814 -4.471 1.00 0.00 C ATOM 565 CG GLN A 37 -2.242 5.339 -5.602 1.00 0.00 C ATOM 566 CD GLN A 37 -2.577 6.422 -6.598 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.625 7.611 -6.262 1.00 0.00 O ATOM 568 NE2 GLN A 37 -2.856 6.028 -7.807 1.00 0.00 N ATOM 0 H GLN A 37 0.304 4.360 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.025 7.147 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.221 4.996 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.849 6.621 -3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.754 4.515 -6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.167 4.946 -5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.805 5.038 -8.045 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.126 6.710 -8.516 1.00 0.00 H new ATOM 577 N ILE A 38 1.130 5.745 -2.804 1.00 0.00 N ATOM 578 CA ILE A 38 1.741 5.967 -1.503 1.00 0.00 C ATOM 579 C ILE A 38 3.165 6.509 -1.613 1.00 0.00 C ATOM 580 O ILE A 38 3.535 7.454 -0.896 1.00 0.00 O ATOM 581 CB ILE A 38 1.701 4.676 -0.649 1.00 0.00 C ATOM 582 CG1 ILE A 38 0.241 4.257 -0.425 1.00 0.00 C ATOM 583 CG2 ILE A 38 2.421 4.872 0.687 1.00 0.00 C ATOM 584 CD1 ILE A 38 0.079 2.975 0.351 1.00 0.00 C ATOM 0 H ILE A 38 0.984 4.761 -3.028 1.00 0.00 H new ATOM 0 HA ILE A 38 1.151 6.733 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 38 2.223 3.884 -1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.278 5.057 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.246 4.146 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.376 3.948 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.463 5.135 0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.938 5.673 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.981 2.750 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.567 2.161 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.535 3.085 1.335 1.00 0.00 H new ATOM 596 N MET A 39 3.953 5.956 -2.527 1.00 0.00 N ATOM 597 CA MET A 39 5.332 6.408 -2.692 1.00 0.00 C ATOM 598 C MET A 39 5.389 7.844 -3.149 1.00 0.00 C ATOM 599 O MET A 39 6.248 8.592 -2.730 1.00 0.00 O ATOM 600 CB MET A 39 6.163 5.495 -3.606 1.00 0.00 C ATOM 601 CG MET A 39 6.374 4.104 -3.027 1.00 0.00 C ATOM 602 SD MET A 39 7.485 3.068 -3.994 1.00 0.00 S ATOM 603 CE MET A 39 6.614 2.977 -5.550 1.00 0.00 C ATOM 0 H MET A 39 3.669 5.206 -3.157 1.00 0.00 H new ATOM 0 HA MET A 39 5.791 6.347 -1.705 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.666 5.408 -4.572 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.133 5.958 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.770 4.199 -2.016 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.408 3.605 -2.945 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.064 2.205 -6.174 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.568 2.732 -5.367 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.678 3.938 -6.060 1.00 0.00 H new ATOM 613 N GLY A 40 4.446 8.237 -3.968 1.00 0.00 N ATOM 614 CA GLY A 40 4.387 9.611 -4.405 1.00 0.00 C ATOM 615 C GLY A 40 3.899 10.525 -3.301 1.00 0.00 C ATOM 616 O GLY A 40 4.423 11.620 -3.104 1.00 0.00 O ATOM 0 H GLY A 40 3.715 7.633 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.375 9.932 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.723 9.692 -5.266 1.00 0.00 H new ATOM 620 N ARG A 41 2.933 10.033 -2.556 1.00 0.00 N ATOM 621 CA ARG A 41 2.281 10.768 -1.485 1.00 0.00 C ATOM 622 C ARG A 41 3.225 11.057 -0.310 1.00 0.00 C ATOM 623 O ARG A 41 3.244 12.169 0.225 1.00 0.00 O ATOM 624 CB ARG A 41 1.058 9.982 -1.019 1.00 0.00 C ATOM 625 CG ARG A 41 0.298 10.603 0.125 1.00 0.00 C ATOM 626 CD ARG A 41 -0.954 9.806 0.440 1.00 0.00 C ATOM 627 NE ARG A 41 -1.877 9.748 -0.709 1.00 0.00 N ATOM 628 CZ ARG A 41 -3.135 9.278 -0.675 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.660 8.842 0.474 1.00 0.00 N ATOM 630 NH2 ARG A 41 -3.866 9.278 -1.791 1.00 0.00 N ATOM 0 H ARG A 41 2.568 9.088 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 41 1.975 11.739 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.379 9.862 -1.863 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.378 8.983 -0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.936 10.650 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.027 11.628 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.675 8.794 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.464 10.255 1.292 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.531 10.094 -1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.105 8.865 1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.616 8.486 0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.469 9.633 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.822 8.923 -1.774 1.00 0.00 H new ATOM 644 N GLU A 42 4.005 10.074 0.081 1.00 0.00 N ATOM 645 CA GLU A 42 4.922 10.248 1.215 1.00 0.00 C ATOM 646 C GLU A 42 6.327 10.523 0.737 1.00 0.00 C ATOM 647 O GLU A 42 7.264 10.637 1.544 1.00 0.00 O ATOM 648 CB GLU A 42 4.920 9.026 2.104 1.00 0.00 C ATOM 649 CG GLU A 42 3.566 8.661 2.722 1.00 0.00 C ATOM 650 CD GLU A 42 3.083 9.684 3.731 1.00 0.00 C ATOM 651 OE1 GLU A 42 3.920 10.221 4.489 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.858 9.916 3.846 1.00 0.00 O ATOM 0 H GLU A 42 4.033 9.152 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 42 4.571 11.105 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.276 8.175 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.637 9.183 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.825 8.563 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.644 7.688 3.207 1.00 0.00 H new ATOM 659 N LYS A 43 6.454 10.629 -0.563 1.00 0.00 N ATOM 660 CA LYS A 43 7.699 10.929 -1.237 1.00 0.00 C ATOM 661 C LYS A 43 8.794 9.913 -0.916 1.00 0.00 C ATOM 662 O LYS A 43 9.770 10.203 -0.219 1.00 0.00 O ATOM 663 CB LYS A 43 8.163 12.392 -1.027 1.00 0.00 C ATOM 664 CG LYS A 43 7.141 13.446 -1.477 1.00 0.00 C ATOM 665 CD LYS A 43 6.056 13.707 -0.449 1.00 0.00 C ATOM 666 CE LYS A 43 5.005 14.653 -0.996 1.00 0.00 C ATOM 667 NZ LYS A 43 3.900 14.847 -0.041 1.00 0.00 N ATOM 0 H LYS A 43 5.670 10.505 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 43 7.494 10.834 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.383 12.544 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.094 12.548 -1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.662 14.379 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.678 13.119 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.588 12.765 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.499 14.131 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.464 15.615 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.612 14.258 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.225 15.538 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.415 13.941 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.279 15.199 0.861 1.00 0.00 H new ATOM 681 N LEU A 44 8.570 8.713 -1.370 1.00 0.00 N ATOM 682 CA LEU A 44 9.505 7.632 -1.215 1.00 0.00 C ATOM 683 C LEU A 44 10.294 7.475 -2.486 1.00 0.00 C ATOM 684 O LEU A 44 9.811 7.843 -3.563 1.00 0.00 O ATOM 685 CB LEU A 44 8.812 6.287 -0.938 1.00 0.00 C ATOM 686 CG LEU A 44 8.382 5.986 0.495 1.00 0.00 C ATOM 687 CD1 LEU A 44 7.252 6.868 0.944 1.00 0.00 C ATOM 688 CD2 LEU A 44 8.008 4.532 0.625 1.00 0.00 C ATOM 0 H LEU A 44 7.718 8.452 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 44 10.139 7.882 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.927 6.230 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.485 5.492 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 44 9.229 6.199 1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.980 6.617 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.564 7.911 0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.391 6.716 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.702 4.325 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.184 4.306 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.867 3.911 0.370 1.00 0.00 H new ATOM 700 N LYS A 45 11.483 6.943 -2.398 1.00 0.00 N ATOM 701 CA LYS A 45 12.227 6.668 -3.553 1.00 0.00 C ATOM 702 C LYS A 45 12.053 5.219 -3.904 1.00 0.00 C ATOM 703 O LYS A 45 12.565 4.324 -3.215 1.00 0.00 O ATOM 704 CB LYS A 45 13.675 6.972 -3.332 1.00 0.00 C ATOM 705 CG LYS A 45 14.531 6.691 -4.524 1.00 0.00 C ATOM 706 CD LYS A 45 15.951 7.116 -4.278 1.00 0.00 C ATOM 707 CE LYS A 45 16.111 8.630 -4.325 1.00 0.00 C ATOM 708 NZ LYS A 45 15.741 9.191 -5.643 1.00 0.00 N ATOM 0 H LYS A 45 11.943 6.697 -1.521 1.00 0.00 H new ATOM 0 HA LYS A 45 11.871 7.295 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.780 8.022 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.037 6.385 -2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.501 5.626 -4.755 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.135 7.217 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.276 6.747 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.600 6.660 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.490 9.083 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.145 8.892 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.183 10.125 -5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.072 8.555 -6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.707 9.288 -5.701 1.00 0.00 H new ATOM 722 N ALA A 46 11.387 4.994 -4.988 1.00 0.00 N ATOM 723 CA ALA A 46 11.090 3.670 -5.466 1.00 0.00 C ATOM 724 C ALA A 46 12.324 3.033 -6.099 1.00 0.00 C ATOM 725 O ALA A 46 12.296 1.890 -6.542 1.00 0.00 O ATOM 726 CB ALA A 46 9.977 3.762 -6.482 1.00 0.00 C ATOM 0 H ALA A 46 11.023 5.737 -5.584 1.00 0.00 H new ATOM 0 HA ALA A 46 10.782 3.045 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.740 2.765 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.092 4.194 -6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.294 4.393 -7.312 1.00 0.00 H new ATOM 732 N ALA A 47 13.407 3.781 -6.136 1.00 0.00 N ATOM 733 CA ALA A 47 14.628 3.319 -6.767 1.00 0.00 C ATOM 734 C ALA A 47 15.634 2.839 -5.739 1.00 0.00 C ATOM 735 O ALA A 47 16.627 2.196 -6.080 1.00 0.00 O ATOM 736 CB ALA A 47 15.221 4.421 -7.622 1.00 0.00 C ATOM 0 H ALA A 47 13.467 4.717 -5.734 1.00 0.00 H new ATOM 0 HA ALA A 47 14.381 2.471 -7.406 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.138 4.064 -8.091 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.506 4.708 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.446 5.285 -6.997 1.00 0.00 H new ATOM 742 N ASP A 48 15.364 3.137 -4.490 1.00 0.00 N ATOM 743 CA ASP A 48 16.270 2.779 -3.401 1.00 0.00 C ATOM 744 C ASP A 48 15.710 1.626 -2.613 1.00 0.00 C ATOM 745 O ASP A 48 16.433 0.733 -2.187 1.00 0.00 O ATOM 746 CB ASP A 48 16.488 3.978 -2.485 1.00 0.00 C ATOM 747 CG ASP A 48 17.348 3.668 -1.267 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.590 3.773 -1.352 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.792 3.350 -0.191 1.00 0.00 O ATOM 0 H ASP A 48 14.522 3.629 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 48 17.227 2.480 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.957 4.780 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.519 4.349 -2.150 1.00 0.00 H new ATOM 754 N CYS A 49 14.422 1.632 -2.457 1.00 0.00 N ATOM 755 CA CYS A 49 13.725 0.634 -1.710 1.00 0.00 C ATOM 756 C CYS A 49 12.419 0.305 -2.404 1.00 0.00 C ATOM 757 O CYS A 49 12.062 0.942 -3.404 1.00 0.00 O ATOM 758 CB CYS A 49 13.460 1.112 -0.276 1.00 0.00 C ATOM 759 SG CYS A 49 14.925 1.273 0.771 1.00 0.00 S ATOM 0 H CYS A 49 13.814 2.348 -2.855 1.00 0.00 H new ATOM 0 HA CYS A 49 14.343 -0.262 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.958 2.078 -0.320 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.769 0.415 0.199 1.00 0.00 H new ATOM 0 HG CYS A 49 15.821 1.987 0.157 1.00 0.00 H new ATOM 765 N ASP A 50 11.729 -0.672 -1.897 1.00 0.00 N ATOM 766 CA ASP A 50 10.472 -1.095 -2.451 1.00 0.00 C ATOM 767 C ASP A 50 9.441 -0.911 -1.377 1.00 0.00 C ATOM 768 O ASP A 50 9.790 -0.677 -0.206 1.00 0.00 O ATOM 769 CB ASP A 50 10.517 -2.569 -2.853 1.00 0.00 C ATOM 770 CG ASP A 50 9.519 -2.932 -3.966 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.337 -2.524 -3.926 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.915 -3.636 -4.916 1.00 0.00 O ATOM 0 H ASP A 50 12.023 -1.205 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 50 10.241 -0.513 -3.343 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.525 -2.816 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.311 -3.183 -1.976 1.00 0.00 H new ATOM 777 N LEU A 51 8.222 -1.039 -1.719 1.00 0.00 N ATOM 778 CA LEU A 51 7.180 -0.833 -0.796 1.00 0.00 C ATOM 779 C LEU A 51 6.462 -2.158 -0.577 1.00 0.00 C ATOM 780 O LEU A 51 5.992 -2.782 -1.517 1.00 0.00 O ATOM 781 CB LEU A 51 6.246 0.266 -1.314 1.00 0.00 C ATOM 782 CG LEU A 51 5.249 0.818 -0.323 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.992 1.395 0.854 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.403 1.892 -0.962 1.00 0.00 C ATOM 0 H LEU A 51 7.914 -1.293 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 51 7.565 -0.494 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.858 1.091 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.697 -0.127 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 51 4.594 0.012 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.278 1.796 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.586 0.613 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.650 2.194 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.691 2.277 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.044 2.703 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.862 1.472 -1.810 1.00 0.00 H new ATOM 796 N GLN A 52 6.415 -2.596 0.642 1.00 0.00 N ATOM 797 CA GLN A 52 5.819 -3.862 0.962 1.00 0.00 C ATOM 798 C GLN A 52 4.590 -3.598 1.783 1.00 0.00 C ATOM 799 O GLN A 52 4.653 -2.942 2.818 1.00 0.00 O ATOM 800 CB GLN A 52 6.774 -4.692 1.791 1.00 0.00 C ATOM 801 CG GLN A 52 6.597 -6.194 1.644 1.00 0.00 C ATOM 802 CD GLN A 52 7.381 -6.970 2.682 1.00 0.00 C ATOM 803 OE1 GLN A 52 7.528 -6.529 3.828 1.00 0.00 O ATOM 804 NE2 GLN A 52 7.969 -8.064 2.273 1.00 0.00 N ATOM 0 H GLN A 52 6.787 -2.089 1.445 1.00 0.00 H new ATOM 0 HA GLN A 52 5.579 -4.398 0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.796 -4.431 1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.649 -4.426 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.539 -6.443 1.730 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.916 -6.499 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.823 -8.396 1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.574 -8.586 2.907 1.00 0.00 H new ATOM 813 N ILE A 53 3.492 -4.064 1.345 1.00 0.00 N ATOM 814 CA ILE A 53 2.292 -3.864 2.084 1.00 0.00 C ATOM 815 C ILE A 53 1.939 -5.141 2.809 1.00 0.00 C ATOM 816 O ILE A 53 2.050 -6.213 2.267 1.00 0.00 O ATOM 817 CB ILE A 53 1.115 -3.291 1.201 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.315 -1.795 0.912 1.00 0.00 C ATOM 819 CG2 ILE A 53 -0.244 -3.483 1.830 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.439 -1.432 -0.035 1.00 0.00 C ATOM 0 H ILE A 53 3.386 -4.590 0.477 1.00 0.00 H new ATOM 0 HA ILE A 53 2.462 -3.087 2.830 1.00 0.00 H new ATOM 0 HB ILE A 53 1.144 -3.861 0.272 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.385 -1.399 0.504 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.490 -1.285 1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.010 -3.068 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.430 -4.547 1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.275 -2.973 2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.477 -0.349 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.386 -1.784 0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.264 -1.900 -1.004 1.00 0.00 H new ATOM 832 N THR A 54 1.639 -5.021 4.048 1.00 0.00 N ATOM 833 CA THR A 54 1.272 -6.122 4.866 1.00 0.00 C ATOM 834 C THR A 54 -0.160 -5.895 5.335 1.00 0.00 C ATOM 835 O THR A 54 -0.580 -4.775 5.471 1.00 0.00 O ATOM 836 CB THR A 54 2.242 -6.192 6.056 1.00 0.00 C ATOM 837 OG1 THR A 54 3.586 -6.243 5.543 1.00 0.00 O ATOM 838 CG2 THR A 54 1.977 -7.406 6.936 1.00 0.00 C ATOM 0 H THR A 54 1.641 -4.127 4.539 1.00 0.00 H new ATOM 0 HA THR A 54 1.326 -7.065 4.323 1.00 0.00 H new ATOM 0 HB THR A 54 2.098 -5.308 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.220 -6.286 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.685 -7.416 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.961 -7.357 7.327 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.095 -8.315 6.347 1.00 0.00 H new ATOM 846 N ASN A 55 -0.907 -6.930 5.502 1.00 0.00 N ATOM 847 CA ASN A 55 -2.272 -6.800 5.947 1.00 0.00 C ATOM 848 C ASN A 55 -2.302 -6.466 7.432 1.00 0.00 C ATOM 849 O ASN A 55 -1.543 -7.036 8.207 1.00 0.00 O ATOM 850 CB ASN A 55 -3.016 -8.081 5.695 1.00 0.00 C ATOM 851 CG ASN A 55 -4.489 -7.899 5.750 1.00 0.00 C ATOM 852 OD1 ASN A 55 -5.075 -7.906 6.808 1.00 0.00 O ATOM 853 ND2 ASN A 55 -5.102 -7.812 4.636 1.00 0.00 N ATOM 0 H ASN A 55 -0.602 -7.890 5.338 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.753 -5.995 5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.737 -8.474 4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.716 -8.824 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.120 -7.745 4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.575 -7.809 3.763 1.00 0.00 H new ATOM 860 N ALA A 56 -3.178 -5.560 7.835 1.00 0.00 N ATOM 861 CA ALA A 56 -3.251 -5.155 9.236 1.00 0.00 C ATOM 862 C ALA A 56 -3.958 -6.207 10.050 1.00 0.00 C ATOM 863 O ALA A 56 -3.725 -6.349 11.234 1.00 0.00 O ATOM 864 CB ALA A 56 -3.976 -3.829 9.384 1.00 0.00 C ATOM 0 H ALA A 56 -3.845 -5.092 7.221 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.231 -5.038 9.602 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.016 -3.552 10.437 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.444 -3.059 8.826 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.990 -3.923 8.995 1.00 0.00 H new ATOM 870 N GLN A 57 -4.794 -6.954 9.395 1.00 0.00 N ATOM 871 CA GLN A 57 -5.602 -7.954 10.040 1.00 0.00 C ATOM 872 C GLN A 57 -4.905 -9.305 10.009 1.00 0.00 C ATOM 873 O GLN A 57 -4.626 -9.897 11.046 1.00 0.00 O ATOM 874 CB GLN A 57 -6.950 -8.049 9.316 1.00 0.00 C ATOM 875 CG GLN A 57 -7.727 -6.739 9.264 1.00 0.00 C ATOM 876 CD GLN A 57 -8.903 -6.796 8.305 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.867 -7.499 7.289 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.939 -6.061 8.601 1.00 0.00 N ATOM 0 H GLN A 57 -4.939 -6.889 8.387 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.758 -7.672 11.081 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.778 -8.397 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.563 -8.802 9.811 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.089 -6.495 10.263 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.056 -5.934 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.936 -5.492 9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.753 -6.055 7.986 1.00 0.00 H new ATOM 887 N THR A 58 -4.573 -9.753 8.821 1.00 0.00 N ATOM 888 CA THR A 58 -4.064 -11.091 8.630 1.00 0.00 C ATOM 889 C THR A 58 -2.538 -11.149 8.723 1.00 0.00 C ATOM 890 O THR A 58 -1.963 -12.222 8.894 1.00 0.00 O ATOM 891 CB THR A 58 -4.512 -11.640 7.250 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.858 -10.915 6.212 1.00 0.00 O ATOM 893 CG2 THR A 58 -6.004 -11.445 7.057 1.00 0.00 C ATOM 0 H THR A 58 -4.647 -9.204 7.964 1.00 0.00 H new ATOM 0 HA THR A 58 -4.474 -11.706 9.431 1.00 0.00 H new ATOM 0 HB THR A 58 -4.260 -12.700 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.141 -11.264 5.341 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.299 -11.836 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.545 -11.976 7.841 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.242 -10.382 7.108 1.00 0.00 H new ATOM 901 N LYS A 59 -1.889 -9.975 8.621 1.00 0.00 N ATOM 902 CA LYS A 59 -0.429 -9.861 8.565 1.00 0.00 C ATOM 903 C LYS A 59 0.171 -10.512 7.325 1.00 0.00 C ATOM 904 O LYS A 59 1.384 -10.761 7.260 1.00 0.00 O ATOM 905 CB LYS A 59 0.258 -10.329 9.847 1.00 0.00 C ATOM 906 CG LYS A 59 0.333 -9.272 10.939 1.00 0.00 C ATOM 907 CD LYS A 59 -1.014 -8.803 11.451 1.00 0.00 C ATOM 908 CE LYS A 59 -0.817 -7.703 12.477 1.00 0.00 C ATOM 909 NZ LYS A 59 -2.078 -7.276 13.120 1.00 0.00 N ATOM 0 H LYS A 59 -2.370 -9.077 8.575 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.228 -8.793 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.274 -11.198 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.269 -10.657 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.907 -9.671 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.883 -8.411 10.557 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.621 -8.437 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.555 -9.637 11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.124 -8.050 13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.353 -6.843 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.867 -6.824 14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.570 -6.598 12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.686 -8.105 13.277 1.00 0.00 H new ATOM 923 N GLU A 60 -0.666 -10.731 6.332 1.00 0.00 N ATOM 924 CA GLU A 60 -0.244 -11.259 5.055 1.00 0.00 C ATOM 925 C GLU A 60 0.568 -10.195 4.329 1.00 0.00 C ATOM 926 O GLU A 60 0.126 -9.059 4.193 1.00 0.00 O ATOM 927 CB GLU A 60 -1.478 -11.618 4.245 1.00 0.00 C ATOM 928 CG GLU A 60 -1.230 -12.126 2.842 1.00 0.00 C ATOM 929 CD GLU A 60 -2.526 -12.379 2.123 1.00 0.00 C ATOM 930 OE1 GLU A 60 -3.384 -11.468 2.078 1.00 0.00 O ATOM 931 OE2 GLU A 60 -2.723 -13.491 1.572 1.00 0.00 O ATOM 0 H GLU A 60 -1.667 -10.545 6.391 1.00 0.00 H new ATOM 0 HA GLU A 60 0.370 -12.149 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.037 -12.378 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.116 -10.736 4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.638 -11.398 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.647 -13.046 2.882 1.00 0.00 H new ATOM 938 N GLU A 61 1.741 -10.544 3.928 1.00 0.00 N ATOM 939 CA GLU A 61 2.609 -9.666 3.231 1.00 0.00 C ATOM 940 C GLU A 61 2.380 -9.759 1.751 1.00 0.00 C ATOM 941 O GLU A 61 2.414 -10.842 1.165 1.00 0.00 O ATOM 942 CB GLU A 61 4.031 -10.003 3.570 1.00 0.00 C ATOM 943 CG GLU A 61 4.425 -9.522 4.934 1.00 0.00 C ATOM 944 CD GLU A 61 5.724 -10.099 5.416 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.727 -10.043 4.693 1.00 0.00 O ATOM 946 OE2 GLU A 61 5.756 -10.670 6.538 1.00 0.00 O ATOM 0 H GLU A 61 2.132 -11.474 4.081 1.00 0.00 H new ATOM 0 HA GLU A 61 2.402 -8.640 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.168 -11.083 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.693 -9.560 2.826 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.502 -8.435 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.637 -9.777 5.643 1.00 0.00 H new ATOM 953 N TYR A 62 2.133 -8.649 1.167 1.00 0.00 N ATOM 954 CA TYR A 62 1.898 -8.560 -0.240 1.00 0.00 C ATOM 955 C TYR A 62 3.196 -8.274 -0.921 1.00 0.00 C ATOM 956 O TYR A 62 3.707 -7.149 -0.892 1.00 0.00 O ATOM 957 CB TYR A 62 0.845 -7.499 -0.541 1.00 0.00 C ATOM 958 CG TYR A 62 -0.434 -7.782 0.190 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.305 -8.732 -0.273 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.743 -7.130 1.369 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.442 -9.032 0.410 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.889 -7.416 2.061 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.734 -8.372 1.579 1.00 0.00 C ATOM 964 OH TYR A 62 -3.864 -8.701 2.278 1.00 0.00 O ATOM 0 H TYR A 62 2.085 -7.754 1.654 1.00 0.00 H new ATOM 0 HA TYR A 62 1.506 -9.504 -0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.222 -6.517 -0.254 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.654 -7.466 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.086 -9.251 -1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.067 -6.380 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.115 -9.788 0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.121 -6.892 2.976 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.932 -9.676 2.350 1.00 0.00 H new ATOM 974 N THR A 63 3.756 -9.309 -1.451 1.00 0.00 N ATOM 975 CA THR A 63 5.030 -9.270 -2.062 1.00 0.00 C ATOM 976 C THR A 63 4.925 -9.145 -3.589 1.00 0.00 C ATOM 977 O THR A 63 5.831 -8.608 -4.240 1.00 0.00 O ATOM 978 CB THR A 63 5.809 -10.530 -1.642 1.00 0.00 C ATOM 979 OG1 THR A 63 4.962 -11.691 -1.829 1.00 0.00 O ATOM 980 CG2 THR A 63 6.206 -10.439 -0.164 1.00 0.00 C ATOM 0 H THR A 63 3.321 -10.231 -1.468 1.00 0.00 H new ATOM 0 HA THR A 63 5.568 -8.383 -1.726 1.00 0.00 H new ATOM 0 HB THR A 63 6.709 -10.613 -2.251 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.451 -12.498 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.756 -11.336 0.121 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.836 -9.563 -0.010 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.309 -10.354 0.449 1.00 0.00 H new ATOM 988 N ASP A 64 3.816 -9.613 -4.160 1.00 0.00 N ATOM 989 CA ASP A 64 3.632 -9.518 -5.601 1.00 0.00 C ATOM 990 C ASP A 64 2.835 -8.279 -5.897 1.00 0.00 C ATOM 991 O ASP A 64 1.816 -8.046 -5.271 1.00 0.00 O ATOM 992 CB ASP A 64 2.858 -10.699 -6.173 1.00 0.00 C ATOM 993 CG ASP A 64 3.162 -10.934 -7.635 1.00 0.00 C ATOM 994 OD1 ASP A 64 3.335 -9.956 -8.398 1.00 0.00 O ATOM 995 OD2 ASP A 64 3.201 -12.104 -8.057 1.00 0.00 O ATOM 0 H ASP A 64 3.047 -10.053 -3.655 1.00 0.00 H new ATOM 0 HA ASP A 64 4.623 -9.501 -6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.100 -11.598 -5.605 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.789 -10.523 -6.051 1.00 0.00 H new ATOM 1000 N ASP A 65 3.249 -7.525 -6.893 1.00 0.00 N ATOM 1001 CA ASP A 65 2.599 -6.258 -7.280 1.00 0.00 C ATOM 1002 C ASP A 65 1.178 -6.507 -7.770 1.00 0.00 C ATOM 1003 O ASP A 65 0.345 -5.593 -7.821 1.00 0.00 O ATOM 1004 CB ASP A 65 3.374 -5.557 -8.401 1.00 0.00 C ATOM 1005 CG ASP A 65 4.851 -5.403 -8.126 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.612 -6.391 -8.330 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.285 -4.307 -7.723 1.00 0.00 O ATOM 0 H ASP A 65 4.054 -7.763 -7.473 1.00 0.00 H new ATOM 0 HA ASP A 65 2.584 -5.625 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.244 -6.120 -9.325 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.941 -4.570 -8.566 1.00 0.00 H new ATOM 1012 N ASN A 66 0.917 -7.750 -8.110 1.00 0.00 N ATOM 1013 CA ASN A 66 -0.371 -8.187 -8.630 1.00 0.00 C ATOM 1014 C ASN A 66 -1.370 -8.427 -7.521 1.00 0.00 C ATOM 1015 O ASN A 66 -2.559 -8.652 -7.788 1.00 0.00 O ATOM 1016 CB ASN A 66 -0.207 -9.453 -9.463 1.00 0.00 C ATOM 1017 CG ASN A 66 0.620 -9.223 -10.700 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.087 -8.917 -11.777 1.00 0.00 O ATOM 1019 ND2 ASN A 66 1.918 -9.332 -10.563 1.00 0.00 N ATOM 0 H ASN A 66 1.602 -8.502 -8.034 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.756 -7.387 -9.262 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.261 -10.227 -8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.190 -9.825 -9.751 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.531 -9.163 -11.360 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.316 -9.586 -9.659 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.897 -8.388 -6.278 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.757 -8.551 -5.128 1.00 0.00 C ATOM 1028 C ALA A 67 -2.761 -7.413 -5.099 1.00 0.00 C ATOM 1029 O ALA A 67 -2.445 -6.311 -5.501 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.940 -8.580 -3.854 1.00 0.00 C ATOM 0 H ALA A 67 0.086 -8.243 -6.049 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.289 -9.499 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.604 -8.703 -2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.238 -9.413 -3.891 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.389 -7.645 -3.754 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.956 -7.675 -4.678 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.982 -6.660 -4.687 1.00 0.00 C ATOM 1038 C LEU A 68 -5.445 -6.384 -3.277 1.00 0.00 C ATOM 1039 O LEU A 68 -5.557 -7.317 -2.464 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.146 -7.091 -5.599 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.009 -8.261 -5.109 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.153 -7.759 -4.265 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -7.497 -9.120 -6.259 1.00 0.00 C ATOM 0 H LEU A 68 -4.255 -8.583 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.575 -5.733 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.796 -6.229 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.735 -7.356 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.384 -8.899 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.754 -8.603 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.760 -7.224 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.774 -7.086 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.104 -9.937 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.097 -8.513 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.641 -9.528 -6.797 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.634 -5.139 -2.946 1.00 0.00 N ATOM 1056 CA ILE A 69 -6.150 -4.804 -1.650 1.00 0.00 C ATOM 1057 C ILE A 69 -7.478 -4.044 -1.787 1.00 0.00 C ATOM 1058 O ILE A 69 -7.538 -2.983 -2.400 1.00 0.00 O ATOM 1059 CB ILE A 69 -5.143 -4.002 -0.751 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.874 -4.821 -0.427 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.805 -3.546 0.541 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.855 -4.918 -1.542 1.00 0.00 C ATOM 0 H ILE A 69 -5.440 -4.342 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.317 -5.750 -1.135 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.842 -3.126 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.391 -4.379 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.176 -5.830 -0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.084 -2.993 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.653 -2.902 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.153 -4.416 1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.006 -5.514 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.311 -5.392 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.513 -3.918 -1.811 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.562 -4.631 -1.287 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.886 -4.015 -1.297 1.00 0.00 C ATOM 1076 C PRO A 70 -10.103 -3.010 -0.185 1.00 0.00 C ATOM 1077 O PRO A 70 -9.438 -3.043 0.849 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.814 -5.202 -1.083 1.00 0.00 C ATOM 1079 CG PRO A 70 -10.007 -6.154 -0.278 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.589 -5.976 -0.706 1.00 0.00 C ATOM 0 HA PRO A 70 -10.046 -3.453 -2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.723 -4.908 -0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -11.122 -5.643 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.119 -5.953 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.337 -7.179 -0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.904 -6.061 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.294 -6.732 -1.434 1.00 0.00 H new ATOM 1088 N LYS A 71 -11.103 -2.159 -0.387 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.551 -1.161 0.605 1.00 0.00 C ATOM 1090 C LYS A 71 -12.103 -1.852 1.873 1.00 0.00 C ATOM 1091 O LYS A 71 -12.379 -1.223 2.890 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.632 -0.272 -0.030 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.781 -1.067 -0.649 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.945 -0.197 -1.107 1.00 0.00 C ATOM 1095 CE LYS A 71 -16.046 -1.047 -1.737 1.00 0.00 C ATOM 1096 NZ LYS A 71 -17.216 -0.252 -2.161 1.00 0.00 N ATOM 0 H LYS A 71 -11.640 -2.135 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.700 -0.549 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.032 0.400 0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.175 0.351 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.403 -1.633 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.144 -1.792 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.347 0.355 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.592 0.540 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.641 -1.576 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.368 -1.804 -1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.930 -0.881 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.624 0.233 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.920 0.454 -2.865 1.00 0.00 H new ATOM 1110 N ASN A 72 -12.245 -3.158 1.776 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.724 -3.997 2.864 1.00 0.00 C ATOM 1112 C ASN A 72 -11.582 -4.298 3.817 1.00 0.00 C ATOM 1113 O ASN A 72 -11.798 -4.712 4.951 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.220 -5.343 2.324 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.340 -5.275 1.301 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.400 -6.105 0.397 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.239 -4.343 1.433 1.00 0.00 N ATOM 0 H ASN A 72 -12.028 -3.678 0.926 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.531 -3.465 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.375 -5.866 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.559 -5.948 3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.018 -4.289 0.777 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.165 -3.667 2.193 1.00 0.00 H new ATOM 1124 N SER A 73 -10.375 -4.094 3.360 1.00 0.00 N ATOM 1125 CA SER A 73 -9.224 -4.439 4.130 1.00 0.00 C ATOM 1126 C SER A 73 -8.542 -3.214 4.705 1.00 0.00 C ATOM 1127 O SER A 73 -8.651 -2.105 4.181 1.00 0.00 O ATOM 1128 CB SER A 73 -8.230 -5.195 3.252 1.00 0.00 C ATOM 1129 OG SER A 73 -8.821 -6.340 2.678 1.00 0.00 O ATOM 0 H SER A 73 -10.169 -3.686 2.448 1.00 0.00 H new ATOM 0 HA SER A 73 -9.556 -5.064 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.865 -4.537 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.366 -5.489 3.848 1.00 0.00 H new ATOM 0 HG SER A 73 -8.128 -6.887 2.253 1.00 0.00 H new ATOM 1135 N SER A 74 -7.886 -3.424 5.799 1.00 0.00 N ATOM 1136 CA SER A 74 -7.023 -2.456 6.371 1.00 0.00 C ATOM 1137 C SER A 74 -5.635 -3.057 6.279 1.00 0.00 C ATOM 1138 O SER A 74 -5.442 -4.236 6.634 1.00 0.00 O ATOM 1139 CB SER A 74 -7.412 -2.204 7.821 1.00 0.00 C ATOM 1140 OG SER A 74 -8.780 -1.831 7.910 1.00 0.00 O ATOM 0 H SER A 74 -7.940 -4.294 6.328 1.00 0.00 H new ATOM 0 HA SER A 74 -7.077 -1.496 5.858 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.234 -3.102 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.786 -1.416 8.240 1.00 0.00 H new ATOM 0 HG SER A 74 -9.016 -1.674 8.848 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.700 -2.323 5.769 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.375 -2.834 5.571 1.00 0.00 C ATOM 1148 C VAL A 75 -2.330 -1.896 6.183 1.00 0.00 C ATOM 1149 O VAL A 75 -2.634 -0.766 6.545 1.00 0.00 O ATOM 1150 CB VAL A 75 -3.071 -3.144 4.057 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.937 -4.294 3.552 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.309 -1.933 3.170 1.00 0.00 C ATOM 0 H VAL A 75 -4.829 -1.354 5.477 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.315 -3.788 6.095 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.018 -3.419 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.708 -4.489 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.733 -5.189 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.989 -4.027 3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.087 -2.191 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.350 -1.621 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.660 -1.117 3.487 1.00 0.00 H new ATOM 1162 N ILE A 76 -1.146 -2.386 6.349 1.00 0.00 N ATOM 1163 CA ILE A 76 -0.060 -1.639 6.913 1.00 0.00 C ATOM 1164 C ILE A 76 1.069 -1.631 5.921 1.00 0.00 C ATOM 1165 O ILE A 76 1.464 -2.669 5.394 1.00 0.00 O ATOM 1166 CB ILE A 76 0.390 -2.211 8.288 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.790 -2.142 9.258 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.600 -1.450 8.852 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.488 -2.599 10.651 1.00 0.00 C ATOM 0 H ILE A 76 -0.896 -3.341 6.091 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.387 -0.618 7.109 1.00 0.00 H new ATOM 0 HB ILE A 76 0.702 -3.247 8.154 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.149 -1.114 9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.604 -2.748 8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.884 -1.879 9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.436 -1.530 8.157 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.339 -0.400 8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.385 -2.513 11.264 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.161 -3.638 10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.302 -1.978 11.074 1.00 0.00 H new ATOM 1181 N VAL A 77 1.554 -0.478 5.653 1.00 0.00 N ATOM 1182 CA VAL A 77 2.522 -0.279 4.636 1.00 0.00 C ATOM 1183 C VAL A 77 3.910 -0.168 5.250 1.00 0.00 C ATOM 1184 O VAL A 77 4.120 0.555 6.235 1.00 0.00 O ATOM 1185 CB VAL A 77 2.174 0.979 3.828 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.053 1.099 2.619 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.714 0.957 3.421 1.00 0.00 C ATOM 0 H VAL A 77 1.285 0.375 6.144 1.00 0.00 H new ATOM 0 HA VAL A 77 2.519 -1.134 3.960 1.00 0.00 H new ATOM 0 HB VAL A 77 2.347 1.849 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.787 1.998 2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.095 1.161 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.917 0.225 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.482 1.855 2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.520 0.077 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.088 0.923 4.313 1.00 0.00 H new ATOM 1197 N ARG A 78 4.829 -0.884 4.679 1.00 0.00 N ATOM 1198 CA ARG A 78 6.175 -0.977 5.158 1.00 0.00 C ATOM 1199 C ARG A 78 7.123 -0.724 3.987 1.00 0.00 C ATOM 1200 O ARG A 78 6.831 -1.109 2.868 1.00 0.00 O ATOM 1201 CB ARG A 78 6.358 -2.410 5.674 1.00 0.00 C ATOM 1202 CG ARG A 78 7.696 -2.733 6.288 1.00 0.00 C ATOM 1203 CD ARG A 78 7.921 -1.970 7.566 1.00 0.00 C ATOM 1204 NE ARG A 78 9.163 -2.368 8.219 1.00 0.00 N ATOM 1205 CZ ARG A 78 9.671 -1.776 9.301 1.00 0.00 C ATOM 1206 NH1 ARG A 78 9.073 -0.704 9.817 1.00 0.00 N ATOM 1207 NH2 ARG A 78 10.773 -2.253 9.864 1.00 0.00 N ATOM 0 H ARG A 78 4.658 -1.438 3.840 1.00 0.00 H new ATOM 0 HA ARG A 78 6.381 -0.252 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.584 -2.608 6.416 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.187 -3.097 4.845 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.756 -3.803 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.489 -2.496 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.948 -0.902 7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.083 -2.138 8.243 1.00 0.00 H new ATOM 0 HE ARG A 78 9.679 -3.153 7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.226 -0.335 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.462 -0.252 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.233 -3.073 9.470 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.160 -1.799 10.691 1.00 0.00 H new ATOM 1221 N ARG A 79 8.220 -0.063 4.216 1.00 0.00 N ATOM 1222 CA ARG A 79 9.177 0.107 3.151 1.00 0.00 C ATOM 1223 C ARG A 79 10.235 -0.961 3.326 1.00 0.00 C ATOM 1224 O ARG A 79 10.696 -1.192 4.447 1.00 0.00 O ATOM 1225 CB ARG A 79 9.816 1.495 3.179 1.00 0.00 C ATOM 1226 CG ARG A 79 10.663 1.788 1.948 1.00 0.00 C ATOM 1227 CD ARG A 79 11.370 3.122 2.052 1.00 0.00 C ATOM 1228 NE ARG A 79 12.394 3.124 3.103 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.756 4.195 3.817 1.00 0.00 C ATOM 1230 NH1 ARG A 79 12.158 5.369 3.614 1.00 0.00 N ATOM 1231 NH2 ARG A 79 13.730 4.093 4.715 1.00 0.00 N ATOM 0 H ARG A 79 8.475 0.361 5.108 1.00 0.00 H new ATOM 0 HA ARG A 79 8.676 0.014 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.032 2.248 3.261 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.438 1.584 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.400 0.996 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.029 1.782 1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.833 3.362 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.639 3.904 2.257 1.00 0.00 H new ATOM 0 HE ARG A 79 12.865 2.242 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.422 5.452 2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.436 6.184 4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.200 3.199 4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.008 4.909 5.261 1.00 0.00 H new ATOM 1245 N ILE A 80 10.602 -1.629 2.269 1.00 0.00 N ATOM 1246 CA ILE A 80 11.572 -2.692 2.383 1.00 0.00 C ATOM 1247 C ILE A 80 12.735 -2.462 1.452 1.00 0.00 C ATOM 1248 O ILE A 80 12.575 -1.848 0.404 1.00 0.00 O ATOM 1249 CB ILE A 80 10.951 -4.120 2.195 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.345 -4.358 0.799 1.00 0.00 C ATOM 1251 CG2 ILE A 80 9.953 -4.425 3.277 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.345 -4.908 -0.198 1.00 0.00 C ATOM 0 H ILE A 80 10.251 -1.462 1.326 1.00 0.00 H new ATOM 0 HA ILE A 80 11.944 -2.665 3.407 1.00 0.00 H new ATOM 0 HB ILE A 80 11.785 -4.817 2.279 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.509 -5.052 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.942 -3.419 0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.539 -5.421 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.446 -4.385 4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.149 -3.690 3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.856 -5.053 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.170 -4.204 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.730 -5.862 0.161 1.00 0.00 H new ATOM 1264 N PRO A 81 13.917 -2.907 1.826 1.00 0.00 N ATOM 1265 CA PRO A 81 15.093 -2.762 0.996 1.00 0.00 C ATOM 1266 C PRO A 81 15.055 -3.704 -0.209 1.00 0.00 C ATOM 1267 O PRO A 81 14.753 -4.909 -0.086 1.00 0.00 O ATOM 1268 CB PRO A 81 16.233 -3.159 1.930 1.00 0.00 C ATOM 1269 CG PRO A 81 15.596 -4.129 2.861 1.00 0.00 C ATOM 1270 CD PRO A 81 14.227 -3.589 3.102 1.00 0.00 C ATOM 0 HA PRO A 81 15.187 -1.756 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.061 -3.611 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.635 -2.297 2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.556 -5.127 2.425 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.158 -4.211 3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.512 -4.382 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.207 -2.899 3.945 1.00 0.00 H new