USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 683 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= 2.78 K(o=3.4,f=-11!) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= -0.29 USER MOD Set 1.3: A 62 TYR OH : rot 30:sc= 0.927 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.147 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -166:sc= -0.0259 (180deg=-0.287) USER MOD Single : A 7 SER OG : rot 180:sc= 0.707 USER MOD Single : A 8 CYS SG : rot -62:sc= 0.807 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= 1 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00717 USER MOD Single : A 15 SER OG : rot -86:sc= 0.552 USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.04) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 44:sc=0.000579 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0057 USER MOD Single : A 28 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-4.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 2.3 (180deg=2.07) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.0233 (180deg=-0.139) USER MOD Single : A 37 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 39 MET CE :methyl -166:sc= -0.394 (180deg=-0.949) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc=-0.00523 (180deg=-0.0728) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -21:sc= 2.18 USER MOD Single : A 52 GLN : amide:sc= -0.643 K(o=-0.64,f=-9.4!) USER MOD Single : A 54 THR OG1 : rot -160:sc= -0.942 USER MOD Single : A 57 GLN : amide:sc= 0.254 K(o=0.25,f=-4.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -91:sc= 0.0734 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.499 F(o=-1.8!,f=-0.5) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 0.581 (180deg=0.21) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.247 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.451 9.034 -6.774 1.00 0.00 N ATOM 2 CA GLY A 1 -23.561 7.875 -6.766 1.00 0.00 C ATOM 3 C GLY A 1 -23.466 7.293 -5.385 1.00 0.00 C ATOM 4 O GLY A 1 -23.985 7.890 -4.438 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.363 8.768 -7.197 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.604 9.361 -5.799 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.020 9.799 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.931 7.120 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.570 8.168 -7.112 1.00 0.00 H new ATOM 10 N PRO A 2 -22.825 6.130 -5.219 1.00 0.00 N ATOM 11 CA PRO A 2 -22.684 5.479 -3.917 1.00 0.00 C ATOM 12 C PRO A 2 -21.695 6.232 -3.020 1.00 0.00 C ATOM 13 O PRO A 2 -20.570 6.533 -3.436 1.00 0.00 O ATOM 14 CB PRO A 2 -22.124 4.091 -4.264 1.00 0.00 C ATOM 15 CG PRO A 2 -22.272 3.956 -5.741 1.00 0.00 C ATOM 16 CD PRO A 2 -22.178 5.344 -6.281 1.00 0.00 C ATOM 0 HA PRO A 2 -23.626 5.445 -3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -21.079 4.004 -3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.671 3.306 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -21.491 3.320 -6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -23.227 3.498 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -21.144 5.650 -6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -22.694 5.446 -7.236 1.00 0.00 H new ATOM 24 N LEU A 3 -22.109 6.535 -1.812 1.00 0.00 N ATOM 25 CA LEU A 3 -21.279 7.273 -0.877 1.00 0.00 C ATOM 26 C LEU A 3 -20.230 6.370 -0.237 1.00 0.00 C ATOM 27 O LEU A 3 -19.030 6.522 -0.478 1.00 0.00 O ATOM 28 CB LEU A 3 -22.135 7.926 0.222 1.00 0.00 C ATOM 29 CG LEU A 3 -23.196 8.935 -0.232 1.00 0.00 C ATOM 30 CD1 LEU A 3 -23.973 9.460 0.961 1.00 0.00 C ATOM 31 CD2 LEU A 3 -22.562 10.084 -0.999 1.00 0.00 C ATOM 0 H LEU A 3 -23.026 6.280 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 3 -20.771 8.054 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -22.637 7.133 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -21.465 8.429 0.920 1.00 0.00 H new ATOM 0 HG LEU A 3 -23.887 8.422 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -24.722 10.175 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -24.467 8.630 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -23.289 9.952 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -23.336 10.785 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -21.844 10.596 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -22.050 9.695 -1.879 1.00 0.00 H new ATOM 43 N GLY A 4 -20.694 5.383 0.505 1.00 0.00 N ATOM 44 CA GLY A 4 -19.808 4.541 1.284 1.00 0.00 C ATOM 45 C GLY A 4 -19.269 3.350 0.524 1.00 0.00 C ATOM 46 O GLY A 4 -18.585 2.499 1.100 1.00 0.00 O ATOM 0 H GLY A 4 -21.683 5.144 0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.971 5.142 1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.342 4.186 2.165 1.00 0.00 H new ATOM 50 N SER A 5 -19.562 3.273 -0.755 1.00 0.00 N ATOM 51 CA SER A 5 -19.062 2.182 -1.555 1.00 0.00 C ATOM 52 C SER A 5 -17.763 2.540 -2.265 1.00 0.00 C ATOM 53 O SER A 5 -17.225 1.734 -3.044 1.00 0.00 O ATOM 54 CB SER A 5 -20.117 1.666 -2.523 1.00 0.00 C ATOM 55 OG SER A 5 -21.255 1.188 -1.809 1.00 0.00 O ATOM 0 H SER A 5 -20.139 3.947 -1.258 1.00 0.00 H new ATOM 0 HA SER A 5 -18.828 1.366 -0.871 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.415 2.463 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.699 0.865 -3.133 1.00 0.00 H new ATOM 0 HG SER A 5 -21.926 0.861 -2.444 1.00 0.00 H new ATOM 61 N MET A 6 -17.242 3.723 -1.970 1.00 0.00 N ATOM 62 CA MET A 6 -15.975 4.142 -2.535 1.00 0.00 C ATOM 63 C MET A 6 -14.875 3.312 -1.956 1.00 0.00 C ATOM 64 O MET A 6 -14.834 3.057 -0.739 1.00 0.00 O ATOM 65 CB MET A 6 -15.702 5.628 -2.339 1.00 0.00 C ATOM 66 CG MET A 6 -16.613 6.520 -3.149 1.00 0.00 C ATOM 67 SD MET A 6 -16.490 6.230 -4.935 1.00 0.00 S ATOM 68 CE MET A 6 -14.794 6.722 -5.261 1.00 0.00 C ATOM 0 H MET A 6 -17.677 4.403 -1.346 1.00 0.00 H new ATOM 0 HA MET A 6 -16.024 3.986 -3.613 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.812 5.873 -1.283 1.00 0.00 H new ATOM 0 HB3 MET A 6 -14.667 5.838 -2.609 1.00 0.00 H new ATOM 0 HG2 MET A 6 -17.643 6.361 -2.831 1.00 0.00 H new ATOM 0 HG3 MET A 6 -16.372 7.562 -2.939 1.00 0.00 H new ATOM 0 HE1 MET A 6 -14.648 6.836 -6.335 1.00 0.00 H new ATOM 0 HE2 MET A 6 -14.588 7.670 -4.764 1.00 0.00 H new ATOM 0 HE3 MET A 6 -14.114 5.959 -4.882 1.00 0.00 H new ATOM 78 N SER A 7 -13.994 2.901 -2.795 1.00 0.00 N ATOM 79 CA SER A 7 -13.002 1.980 -2.430 1.00 0.00 C ATOM 80 C SER A 7 -11.876 2.655 -1.726 1.00 0.00 C ATOM 81 O SER A 7 -11.131 3.443 -2.307 1.00 0.00 O ATOM 82 CB SER A 7 -12.562 1.233 -3.648 1.00 0.00 C ATOM 83 OG SER A 7 -13.701 0.684 -4.291 1.00 0.00 O ATOM 0 H SER A 7 -13.949 3.205 -3.768 1.00 0.00 H new ATOM 0 HA SER A 7 -13.406 1.260 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.031 1.900 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.867 0.440 -3.372 1.00 0.00 H new ATOM 0 HG SER A 7 -13.421 0.198 -5.094 1.00 0.00 H new ATOM 89 N CYS A 8 -11.791 2.366 -0.472 1.00 0.00 N ATOM 90 CA CYS A 8 -10.837 2.938 0.387 1.00 0.00 C ATOM 91 C CYS A 8 -10.274 1.878 1.323 1.00 0.00 C ATOM 92 O CYS A 8 -11.020 1.124 1.952 1.00 0.00 O ATOM 93 CB CYS A 8 -11.486 4.098 1.143 1.00 0.00 C ATOM 94 SG CYS A 8 -13.109 3.708 1.854 1.00 0.00 S ATOM 0 H CYS A 8 -12.410 1.700 -0.010 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.997 3.333 -0.184 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.818 4.414 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.593 4.944 0.465 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.942 3.417 0.900 1.00 0.00 H new ATOM 100 N VAL A 9 -8.975 1.810 1.378 1.00 0.00 N ATOM 101 CA VAL A 9 -8.274 0.853 2.212 1.00 0.00 C ATOM 102 C VAL A 9 -7.671 1.575 3.372 1.00 0.00 C ATOM 103 O VAL A 9 -7.051 2.635 3.192 1.00 0.00 O ATOM 104 CB VAL A 9 -7.142 0.117 1.419 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.229 -0.681 2.346 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.744 -0.826 0.423 1.00 0.00 C ATOM 0 H VAL A 9 -8.358 2.421 0.842 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.990 0.104 2.551 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.551 0.882 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.457 -1.177 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.762 -0.008 3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.816 -1.429 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.949 -1.333 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.355 -1.564 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.367 -0.268 -0.276 1.00 0.00 H new ATOM 116 N HIS A 10 -7.878 1.034 4.547 1.00 0.00 N ATOM 117 CA HIS A 10 -7.295 1.568 5.738 1.00 0.00 C ATOM 118 C HIS A 10 -5.882 1.086 5.828 1.00 0.00 C ATOM 119 O HIS A 10 -5.632 -0.095 6.032 1.00 0.00 O ATOM 120 CB HIS A 10 -8.079 1.162 6.991 1.00 0.00 C ATOM 121 CG HIS A 10 -9.402 1.843 7.144 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.648 2.853 8.055 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.570 1.638 6.494 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.926 3.222 7.929 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.533 2.512 6.993 1.00 0.00 N ATOM 0 H HIS A 10 -8.458 0.209 4.698 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.324 2.656 5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.240 0.084 6.970 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.471 1.376 7.870 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.731 0.911 5.711 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.400 3.997 8.514 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.506 2.589 6.697 1.00 0.00 H new ATOM 133 N TYR A 11 -4.971 1.964 5.625 1.00 0.00 N ATOM 134 CA TYR A 11 -3.599 1.606 5.660 1.00 0.00 C ATOM 135 C TYR A 11 -2.887 2.470 6.658 1.00 0.00 C ATOM 136 O TYR A 11 -3.165 3.669 6.753 1.00 0.00 O ATOM 137 CB TYR A 11 -2.953 1.738 4.262 1.00 0.00 C ATOM 138 CG TYR A 11 -2.710 3.164 3.748 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.713 3.896 3.134 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.450 3.756 3.862 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.464 5.170 2.644 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.203 5.020 3.383 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.208 5.721 2.774 1.00 0.00 C ATOM 144 OH TYR A 11 -1.953 6.977 2.274 1.00 0.00 O ATOM 0 H TYR A 11 -5.152 2.949 5.430 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.514 0.562 5.961 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.997 1.214 4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.588 1.221 3.543 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.701 3.470 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.651 3.207 4.338 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.253 5.728 2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.221 5.458 3.487 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.019 7.216 2.450 1.00 0.00 H new ATOM 154 N LYS A 12 -2.030 1.892 7.432 1.00 0.00 N ATOM 155 CA LYS A 12 -1.241 2.680 8.319 1.00 0.00 C ATOM 156 C LYS A 12 0.198 2.464 7.990 1.00 0.00 C ATOM 157 O LYS A 12 0.636 1.332 7.761 1.00 0.00 O ATOM 158 CB LYS A 12 -1.548 2.435 9.815 1.00 0.00 C ATOM 159 CG LYS A 12 -1.150 1.092 10.375 1.00 0.00 C ATOM 160 CD LYS A 12 -1.484 1.022 11.855 1.00 0.00 C ATOM 161 CE LYS A 12 -1.023 -0.300 12.451 1.00 0.00 C ATOM 162 NZ LYS A 12 -1.414 -0.473 13.863 1.00 0.00 N ATOM 0 H LYS A 12 -1.859 0.887 7.469 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.501 3.728 8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.047 3.209 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.619 2.564 9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.670 0.298 9.839 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.082 0.930 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.006 1.849 12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.559 1.134 11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.438 -1.119 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.062 -0.368 12.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.070 -1.392 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.997 0.290 14.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.450 -0.439 13.943 1.00 0.00 H new ATOM 176 N PHE A 13 0.909 3.531 7.903 1.00 0.00 N ATOM 177 CA PHE A 13 2.290 3.486 7.549 1.00 0.00 C ATOM 178 C PHE A 13 3.069 3.322 8.834 1.00 0.00 C ATOM 179 O PHE A 13 2.590 3.732 9.889 1.00 0.00 O ATOM 180 CB PHE A 13 2.668 4.810 6.883 1.00 0.00 C ATOM 181 CG PHE A 13 3.612 4.697 5.725 1.00 0.00 C ATOM 182 CD1 PHE A 13 4.883 4.173 5.877 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.217 5.129 4.475 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.736 4.081 4.803 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.066 5.041 3.399 1.00 0.00 C ATOM 186 CZ PHE A 13 5.325 4.513 3.563 1.00 0.00 C ATOM 0 H PHE A 13 0.549 4.470 8.076 1.00 0.00 H new ATOM 0 HA PHE A 13 2.503 2.668 6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.756 5.299 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.116 5.461 7.634 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.208 3.833 6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.228 5.541 4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.727 3.671 4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.746 5.386 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.992 4.437 2.717 1.00 0.00 H new ATOM 196 N SER A 14 4.242 2.746 8.766 1.00 0.00 N ATOM 197 CA SER A 14 5.079 2.584 9.938 1.00 0.00 C ATOM 198 C SER A 14 5.606 3.943 10.449 1.00 0.00 C ATOM 199 O SER A 14 6.144 4.049 11.554 1.00 0.00 O ATOM 200 CB SER A 14 6.209 1.607 9.632 1.00 0.00 C ATOM 201 OG SER A 14 6.902 1.981 8.448 1.00 0.00 O ATOM 0 H SER A 14 4.646 2.377 7.905 1.00 0.00 H new ATOM 0 HA SER A 14 4.478 2.166 10.746 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.905 1.577 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.804 0.602 9.518 1.00 0.00 H new ATOM 0 HG SER A 14 7.623 1.340 8.274 1.00 0.00 H new ATOM 207 N SER A 15 5.446 4.971 9.634 1.00 0.00 N ATOM 208 CA SER A 15 5.788 6.322 9.995 1.00 0.00 C ATOM 209 C SER A 15 4.593 6.996 10.692 1.00 0.00 C ATOM 210 O SER A 15 4.711 8.092 11.254 1.00 0.00 O ATOM 211 CB SER A 15 6.172 7.068 8.722 1.00 0.00 C ATOM 212 OG SER A 15 5.207 6.806 7.705 1.00 0.00 O ATOM 0 H SER A 15 5.069 4.882 8.691 1.00 0.00 H new ATOM 0 HA SER A 15 6.627 6.334 10.691 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.227 8.139 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.161 6.754 8.389 1.00 0.00 H new ATOM 0 HG SER A 15 5.449 5.985 7.228 1.00 0.00 H new ATOM 218 N LYS A 16 3.452 6.327 10.654 1.00 0.00 N ATOM 219 CA LYS A 16 2.233 6.821 11.244 1.00 0.00 C ATOM 220 C LYS A 16 1.850 5.926 12.403 1.00 0.00 C ATOM 221 O LYS A 16 2.584 4.980 12.755 1.00 0.00 O ATOM 222 CB LYS A 16 1.098 6.792 10.210 1.00 0.00 C ATOM 223 CG LYS A 16 1.375 7.592 8.941 1.00 0.00 C ATOM 224 CD LYS A 16 0.241 7.429 7.946 1.00 0.00 C ATOM 225 CE LYS A 16 0.554 8.073 6.594 1.00 0.00 C ATOM 226 NZ LYS A 16 0.745 9.543 6.665 1.00 0.00 N ATOM 0 H LYS A 16 3.352 5.416 10.206 1.00 0.00 H new ATOM 0 HA LYS A 16 2.390 7.844 11.584 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.901 5.756 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.190 7.176 10.675 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.499 8.646 9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.310 7.258 8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.038 6.368 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.665 7.874 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.455 7.617 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.258 7.854 5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.903 9.919 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.103 9.984 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.569 9.758 7.262 1.00 0.00 H new ATOM 240 N LEU A 17 0.735 6.216 12.993 1.00 0.00 N ATOM 241 CA LEU A 17 0.199 5.408 14.047 1.00 0.00 C ATOM 242 C LEU A 17 -1.300 5.178 13.800 1.00 0.00 C ATOM 243 O LEU A 17 -1.887 4.231 14.309 1.00 0.00 O ATOM 244 CB LEU A 17 0.447 6.070 15.414 1.00 0.00 C ATOM 245 CG LEU A 17 0.120 5.222 16.652 1.00 0.00 C ATOM 246 CD1 LEU A 17 0.962 3.954 16.669 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.352 6.023 17.921 1.00 0.00 C ATOM 0 H LEU A 17 0.164 7.027 12.756 1.00 0.00 H new ATOM 0 HA LEU A 17 0.703 4.441 14.057 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.496 6.362 15.467 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.142 6.986 15.462 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.932 4.940 16.605 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.716 3.366 17.553 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.754 3.367 15.774 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.019 4.219 16.692 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.115 5.407 18.789 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.396 6.333 17.970 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.289 6.905 17.917 1.00 0.00 H new ATOM 259 N ASN A 18 -1.900 6.039 12.999 1.00 0.00 N ATOM 260 CA ASN A 18 -3.312 5.925 12.652 1.00 0.00 C ATOM 261 C ASN A 18 -3.448 5.403 11.240 1.00 0.00 C ATOM 262 O ASN A 18 -2.509 5.509 10.439 1.00 0.00 O ATOM 263 CB ASN A 18 -4.033 7.291 12.734 1.00 0.00 C ATOM 264 CG ASN A 18 -4.047 7.906 14.120 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.021 7.203 15.131 1.00 0.00 O ATOM 266 ND2 ASN A 18 -4.119 9.214 14.184 1.00 0.00 N ATOM 0 H ASN A 18 -1.428 6.835 12.570 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.770 5.241 13.366 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.551 7.985 12.046 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.061 7.167 12.394 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.155 9.679 15.091 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.139 9.766 13.327 1.00 0.00 H new ATOM 273 N TYR A 19 -4.589 4.819 10.938 1.00 0.00 N ATOM 274 CA TYR A 19 -4.875 4.366 9.591 1.00 0.00 C ATOM 275 C TYR A 19 -5.388 5.502 8.753 1.00 0.00 C ATOM 276 O TYR A 19 -6.076 6.398 9.257 1.00 0.00 O ATOM 277 CB TYR A 19 -5.915 3.251 9.557 1.00 0.00 C ATOM 278 CG TYR A 19 -5.447 1.909 10.048 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.830 1.028 9.182 1.00 0.00 C ATOM 280 CD2 TYR A 19 -5.627 1.516 11.360 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.404 -0.205 9.600 1.00 0.00 C ATOM 282 CE2 TYR A 19 -5.203 0.281 11.789 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.590 -0.576 10.905 1.00 0.00 C ATOM 284 OH TYR A 19 -4.158 -1.802 11.331 1.00 0.00 O ATOM 0 H TYR A 19 -5.337 4.646 11.610 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.935 3.982 9.194 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.771 3.559 10.157 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.268 3.140 8.532 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.680 1.317 8.152 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.107 2.187 12.057 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.925 -0.879 8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.351 -0.016 12.817 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.365 -1.909 12.283 1.00 0.00 H new ATOM 294 N ASP A 20 -5.079 5.457 7.504 1.00 0.00 N ATOM 295 CA ASP A 20 -5.546 6.419 6.548 1.00 0.00 C ATOM 296 C ASP A 20 -6.264 5.641 5.462 1.00 0.00 C ATOM 297 O ASP A 20 -6.285 4.419 5.518 1.00 0.00 O ATOM 298 CB ASP A 20 -4.386 7.217 5.976 1.00 0.00 C ATOM 299 CG ASP A 20 -4.838 8.536 5.378 1.00 0.00 C ATOM 300 OD1 ASP A 20 -5.440 8.549 4.294 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.597 9.584 5.987 1.00 0.00 O ATOM 0 H ASP A 20 -4.480 4.736 7.102 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.219 7.139 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.656 7.408 6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.883 6.626 5.210 1.00 0.00 H new ATOM 306 N THR A 21 -6.806 6.299 4.482 1.00 0.00 N ATOM 307 CA THR A 21 -7.611 5.659 3.504 1.00 0.00 C ATOM 308 C THR A 21 -7.170 6.030 2.123 1.00 0.00 C ATOM 309 O THR A 21 -7.235 7.203 1.721 1.00 0.00 O ATOM 310 CB THR A 21 -9.112 5.974 3.689 1.00 0.00 C ATOM 311 OG1 THR A 21 -9.312 7.368 4.007 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.740 5.084 4.748 1.00 0.00 C ATOM 0 H THR A 21 -6.697 7.304 4.344 1.00 0.00 H new ATOM 0 HA THR A 21 -7.481 4.585 3.640 1.00 0.00 H new ATOM 0 HB THR A 21 -9.610 5.765 2.742 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.746 7.920 3.428 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.796 5.332 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.640 4.040 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.235 5.240 5.701 1.00 0.00 H new ATOM 320 N VAL A 22 -6.705 5.062 1.409 1.00 0.00 N ATOM 321 CA VAL A 22 -6.303 5.284 0.065 1.00 0.00 C ATOM 322 C VAL A 22 -7.479 4.909 -0.824 1.00 0.00 C ATOM 323 O VAL A 22 -8.158 3.905 -0.569 1.00 0.00 O ATOM 324 CB VAL A 22 -5.013 4.485 -0.292 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.231 2.987 -0.416 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.321 5.082 -1.487 1.00 0.00 C ATOM 0 H VAL A 22 -6.594 4.103 1.738 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.041 6.331 -0.087 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.340 4.586 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.288 2.501 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.602 2.594 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.960 2.789 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.424 4.505 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.993 5.061 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.043 6.113 -1.269 1.00 0.00 H new ATOM 336 N THR A 23 -7.762 5.721 -1.789 1.00 0.00 N ATOM 337 CA THR A 23 -8.918 5.529 -2.614 1.00 0.00 C ATOM 338 C THR A 23 -8.568 5.001 -3.998 1.00 0.00 C ATOM 339 O THR A 23 -7.495 5.294 -4.536 1.00 0.00 O ATOM 340 CB THR A 23 -9.736 6.834 -2.703 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.846 7.950 -2.915 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.541 7.060 -1.431 1.00 0.00 C ATOM 0 H THR A 23 -7.201 6.538 -2.031 1.00 0.00 H new ATOM 0 HA THR A 23 -9.531 4.762 -2.140 1.00 0.00 H new ATOM 0 HB THR A 23 -10.429 6.749 -3.540 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.367 8.778 -2.973 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.109 7.986 -1.519 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.228 6.227 -1.282 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.864 7.129 -0.579 1.00 0.00 H new ATOM 350 N PHE A 24 -9.444 4.182 -4.536 1.00 0.00 N ATOM 351 CA PHE A 24 -9.296 3.621 -5.862 1.00 0.00 C ATOM 352 C PHE A 24 -10.653 3.236 -6.377 1.00 0.00 C ATOM 353 O PHE A 24 -11.657 3.412 -5.672 1.00 0.00 O ATOM 354 CB PHE A 24 -8.341 2.394 -5.860 1.00 0.00 C ATOM 355 CG PHE A 24 -8.671 1.344 -4.826 1.00 0.00 C ATOM 356 CD1 PHE A 24 -8.217 1.496 -3.537 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.433 0.214 -5.132 1.00 0.00 C ATOM 358 CE1 PHE A 24 -8.501 0.577 -2.581 1.00 0.00 C ATOM 359 CE2 PHE A 24 -9.721 -0.719 -4.158 1.00 0.00 C ATOM 360 CZ PHE A 24 -9.254 -0.534 -2.884 1.00 0.00 C ATOM 0 H PHE A 24 -10.293 3.882 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.850 4.370 -6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.361 1.932 -6.847 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.322 2.743 -5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.624 2.362 -3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.799 0.070 -6.138 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.134 0.718 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.312 -1.591 -4.399 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.477 -1.261 -2.117 1.00 0.00 H new ATOM 370 N ASP A 25 -10.707 2.779 -7.591 1.00 0.00 N ATOM 371 CA ASP A 25 -11.930 2.256 -8.141 1.00 0.00 C ATOM 372 C ASP A 25 -11.757 0.781 -8.368 1.00 0.00 C ATOM 373 O ASP A 25 -10.713 0.343 -8.871 1.00 0.00 O ATOM 374 CB ASP A 25 -12.320 2.944 -9.447 1.00 0.00 C ATOM 375 CG ASP A 25 -13.591 2.357 -10.039 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.699 2.699 -9.569 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.495 1.518 -10.961 1.00 0.00 O ATOM 0 H ASP A 25 -9.912 2.756 -8.229 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.736 2.447 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.462 4.010 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.506 2.847 -10.166 1.00 0.00 H new ATOM 382 N GLY A 26 -12.734 0.026 -7.986 1.00 0.00 N ATOM 383 CA GLY A 26 -12.665 -1.393 -8.102 1.00 0.00 C ATOM 384 C GLY A 26 -12.786 -2.002 -6.746 1.00 0.00 C ATOM 385 O GLY A 26 -12.876 -1.284 -5.763 1.00 0.00 O ATOM 0 H GLY A 26 -13.604 0.376 -7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.463 -1.756 -8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.722 -1.687 -8.563 1.00 0.00 H new ATOM 389 N LEU A 27 -12.795 -3.288 -6.663 1.00 0.00 N ATOM 390 CA LEU A 27 -12.934 -3.944 -5.379 1.00 0.00 C ATOM 391 C LEU A 27 -11.569 -3.975 -4.693 1.00 0.00 C ATOM 392 O LEU A 27 -11.456 -3.848 -3.454 1.00 0.00 O ATOM 393 CB LEU A 27 -13.517 -5.371 -5.599 1.00 0.00 C ATOM 394 CG LEU A 27 -14.042 -6.177 -4.373 1.00 0.00 C ATOM 395 CD1 LEU A 27 -12.930 -6.674 -3.465 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.053 -5.361 -3.578 1.00 0.00 C ATOM 0 H LEU A 27 -12.709 -3.919 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.623 -3.402 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.339 -5.283 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.743 -5.971 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.535 -7.061 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.361 -7.227 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.265 -7.328 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.365 -5.824 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.404 -5.946 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.581 -4.446 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.898 -5.106 -4.217 1.00 0.00 H new ATOM 408 N HIS A 28 -10.541 -4.075 -5.502 1.00 0.00 N ATOM 409 CA HIS A 28 -9.186 -4.203 -5.019 1.00 0.00 C ATOM 410 C HIS A 28 -8.177 -3.588 -5.939 1.00 0.00 C ATOM 411 O HIS A 28 -8.445 -3.377 -7.121 1.00 0.00 O ATOM 412 CB HIS A 28 -8.824 -5.661 -4.710 1.00 0.00 C ATOM 413 CG HIS A 28 -9.320 -6.689 -5.683 1.00 0.00 C ATOM 414 ND1 HIS A 28 -9.943 -7.848 -5.280 1.00 0.00 N ATOM 415 CD2 HIS A 28 -9.245 -6.747 -7.035 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.227 -8.562 -6.373 1.00 0.00 C ATOM 417 NE2 HIS A 28 -9.821 -7.934 -7.471 1.00 0.00 N ATOM 0 H HIS A 28 -10.621 -4.070 -6.519 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.150 -3.640 -4.086 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.738 -5.739 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.214 -5.908 -3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.808 -5.992 -7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.721 -9.522 -6.365 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.913 -8.256 -8.434 1.00 0.00 H new ATOM 425 N ILE A 29 -7.029 -3.311 -5.394 1.00 0.00 N ATOM 426 CA ILE A 29 -5.963 -2.711 -6.127 1.00 0.00 C ATOM 427 C ILE A 29 -4.676 -3.540 -6.005 1.00 0.00 C ATOM 428 O ILE A 29 -4.275 -3.924 -4.907 1.00 0.00 O ATOM 429 CB ILE A 29 -5.742 -1.230 -5.686 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.548 -0.622 -6.402 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.572 -1.116 -4.169 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.463 0.887 -6.289 1.00 0.00 C ATOM 0 H ILE A 29 -6.808 -3.499 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.242 -2.697 -7.181 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.634 -0.670 -5.966 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.635 -1.058 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.592 -0.895 -7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.420 -0.071 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.466 -1.494 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.708 -1.702 -3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.584 1.243 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.358 1.335 -6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.386 1.169 -5.239 1.00 0.00 H new ATOM 444 N SER A 30 -4.088 -3.861 -7.140 1.00 0.00 N ATOM 445 CA SER A 30 -2.839 -4.611 -7.212 1.00 0.00 C ATOM 446 C SER A 30 -1.691 -3.842 -6.533 1.00 0.00 C ATOM 447 O SER A 30 -1.657 -2.616 -6.575 1.00 0.00 O ATOM 448 CB SER A 30 -2.506 -4.876 -8.670 1.00 0.00 C ATOM 449 OG SER A 30 -3.583 -5.549 -9.326 1.00 0.00 O ATOM 0 H SER A 30 -4.465 -3.607 -8.053 1.00 0.00 H new ATOM 0 HA SER A 30 -2.961 -5.556 -6.683 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.299 -3.933 -9.177 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.601 -5.479 -8.736 1.00 0.00 H new ATOM 0 HG SER A 30 -3.347 -5.708 -10.264 1.00 0.00 H new ATOM 455 N LEU A 31 -0.755 -4.576 -5.950 1.00 0.00 N ATOM 456 CA LEU A 31 0.346 -4.024 -5.161 1.00 0.00 C ATOM 457 C LEU A 31 1.167 -2.981 -5.902 1.00 0.00 C ATOM 458 O LEU A 31 1.459 -1.930 -5.338 1.00 0.00 O ATOM 459 CB LEU A 31 1.256 -5.143 -4.638 1.00 0.00 C ATOM 460 CG LEU A 31 2.391 -4.717 -3.715 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.845 -3.993 -2.511 1.00 0.00 C ATOM 462 CD2 LEU A 31 3.193 -5.916 -3.271 1.00 0.00 C ATOM 0 H LEU A 31 -0.736 -5.594 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.120 -3.509 -4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.637 -5.867 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.688 -5.660 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 31 3.045 -4.043 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.668 -3.695 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.300 -3.107 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.172 -4.653 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.999 -5.591 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.544 -6.610 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.616 -6.414 -4.143 1.00 0.00 H new ATOM 474 N CYS A 32 1.540 -3.262 -7.148 1.00 0.00 N ATOM 475 CA CYS A 32 2.313 -2.303 -7.936 1.00 0.00 C ATOM 476 C CYS A 32 1.559 -0.951 -8.012 1.00 0.00 C ATOM 477 O CYS A 32 2.125 0.104 -7.741 1.00 0.00 O ATOM 478 CB CYS A 32 2.590 -2.862 -9.342 1.00 0.00 C ATOM 479 SG CYS A 32 3.832 -1.948 -10.288 1.00 0.00 S ATOM 0 H CYS A 32 1.323 -4.134 -7.630 1.00 0.00 H new ATOM 0 HA CYS A 32 3.273 -2.134 -7.448 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.914 -3.898 -9.249 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.657 -2.870 -9.905 1.00 0.00 H new ATOM 0 HG CYS A 32 3.987 -2.505 -11.452 1.00 0.00 H new ATOM 485 N ASP A 33 0.263 -1.023 -8.278 1.00 0.00 N ATOM 486 CA ASP A 33 -0.611 0.158 -8.363 1.00 0.00 C ATOM 487 C ASP A 33 -0.780 0.811 -7.003 1.00 0.00 C ATOM 488 O ASP A 33 -0.730 2.036 -6.863 1.00 0.00 O ATOM 489 CB ASP A 33 -1.990 -0.252 -8.912 1.00 0.00 C ATOM 490 CG ASP A 33 -2.011 -0.440 -10.398 1.00 0.00 C ATOM 491 OD1 ASP A 33 -1.558 -1.504 -10.886 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.481 0.475 -11.116 1.00 0.00 O ATOM 0 H ASP A 33 -0.223 -1.904 -8.443 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.145 0.878 -9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.302 -1.180 -8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.721 0.509 -8.640 1.00 0.00 H new ATOM 497 N LEU A 34 -0.935 -0.026 -6.008 1.00 0.00 N ATOM 498 CA LEU A 34 -1.164 0.376 -4.626 1.00 0.00 C ATOM 499 C LEU A 34 0.021 1.185 -4.099 1.00 0.00 C ATOM 500 O LEU A 34 -0.154 2.277 -3.530 1.00 0.00 O ATOM 501 CB LEU A 34 -1.451 -0.922 -3.787 1.00 0.00 C ATOM 502 CG LEU A 34 -1.642 -0.857 -2.246 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.337 -0.629 -1.519 1.00 0.00 C ATOM 504 CD2 LEU A 34 -2.666 0.186 -1.842 1.00 0.00 C ATOM 0 H LEU A 34 -0.906 -1.038 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.028 1.036 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.351 -1.376 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.629 -1.613 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.023 -1.833 -1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.521 -0.591 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.351 -1.445 -1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.102 0.314 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.767 0.196 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.340 1.168 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.628 -0.055 -2.293 1.00 0.00 H new ATOM 516 N LYS A 35 1.214 0.682 -4.344 1.00 0.00 N ATOM 517 CA LYS A 35 2.426 1.333 -3.902 1.00 0.00 C ATOM 518 C LYS A 35 2.616 2.652 -4.611 1.00 0.00 C ATOM 519 O LYS A 35 3.008 3.629 -3.994 1.00 0.00 O ATOM 520 CB LYS A 35 3.655 0.452 -4.107 1.00 0.00 C ATOM 521 CG LYS A 35 3.644 -0.829 -3.300 1.00 0.00 C ATOM 522 CD LYS A 35 4.941 -1.621 -3.460 1.00 0.00 C ATOM 523 CE LYS A 35 5.181 -2.163 -4.856 1.00 0.00 C ATOM 524 NZ LYS A 35 6.456 -2.933 -4.938 1.00 0.00 N ATOM 0 H LYS A 35 1.368 -0.188 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 35 2.317 1.514 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.735 0.201 -5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.545 1.024 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.492 -0.592 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.802 -1.446 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.779 -0.981 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.932 -2.454 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.349 -2.805 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.208 -1.337 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.544 -3.359 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.259 -2.294 -4.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.455 -3.684 -4.219 1.00 0.00 H new ATOM 538 N LYS A 36 2.297 2.685 -5.900 1.00 0.00 N ATOM 539 CA LYS A 36 2.422 3.906 -6.690 1.00 0.00 C ATOM 540 C LYS A 36 1.528 5.010 -6.153 1.00 0.00 C ATOM 541 O LYS A 36 1.949 6.176 -6.089 1.00 0.00 O ATOM 542 CB LYS A 36 2.149 3.654 -8.181 1.00 0.00 C ATOM 543 CG LYS A 36 3.396 3.384 -9.035 1.00 0.00 C ATOM 544 CD LYS A 36 4.248 2.240 -8.508 1.00 0.00 C ATOM 545 CE LYS A 36 5.454 1.969 -9.409 1.00 0.00 C ATOM 546 NZ LYS A 36 6.349 3.152 -9.546 1.00 0.00 N ATOM 0 H LYS A 36 1.950 1.880 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 36 3.456 4.238 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.474 2.803 -8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.628 4.519 -8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.087 3.158 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.002 4.289 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.592 2.477 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.640 1.338 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.024 1.133 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.104 1.668 -10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.229 2.868 -10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.872 3.885 -10.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.572 3.530 -8.603 1.00 0.00 H new ATOM 560 N GLN A 37 0.324 4.651 -5.730 1.00 0.00 N ATOM 561 CA GLN A 37 -0.574 5.627 -5.152 1.00 0.00 C ATOM 562 C GLN A 37 -0.041 6.151 -3.828 1.00 0.00 C ATOM 563 O GLN A 37 0.019 7.357 -3.614 1.00 0.00 O ATOM 564 CB GLN A 37 -1.992 5.088 -4.964 1.00 0.00 C ATOM 565 CG GLN A 37 -2.731 4.780 -6.254 1.00 0.00 C ATOM 566 CD GLN A 37 -4.240 4.677 -6.057 1.00 0.00 C ATOM 567 OE1 GLN A 37 -5.011 4.979 -6.963 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.676 4.284 -4.884 1.00 0.00 N ATOM 0 H GLN A 37 -0.046 3.702 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.626 6.448 -5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.944 4.180 -4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.570 5.816 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.516 5.559 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.358 3.843 -6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.012 4.039 -4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.679 4.223 -4.707 1.00 0.00 H new ATOM 577 N ILE A 38 0.382 5.249 -2.964 1.00 0.00 N ATOM 578 CA ILE A 38 0.858 5.625 -1.638 1.00 0.00 C ATOM 579 C ILE A 38 2.179 6.404 -1.705 1.00 0.00 C ATOM 580 O ILE A 38 2.309 7.467 -1.094 1.00 0.00 O ATOM 581 CB ILE A 38 1.003 4.390 -0.714 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.360 3.709 -0.532 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.591 4.790 0.642 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.311 2.444 0.294 1.00 0.00 C ATOM 0 H ILE A 38 0.408 4.247 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 38 0.103 6.284 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 38 1.689 3.684 -1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.046 4.412 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.771 3.474 -1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.683 3.906 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.575 5.235 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.934 5.514 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.313 2.024 0.376 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.348 1.721 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.068 2.674 1.290 1.00 0.00 H new ATOM 596 N MET A 39 3.129 5.900 -2.476 1.00 0.00 N ATOM 597 CA MET A 39 4.441 6.539 -2.599 1.00 0.00 C ATOM 598 C MET A 39 4.320 7.896 -3.243 1.00 0.00 C ATOM 599 O MET A 39 4.983 8.839 -2.833 1.00 0.00 O ATOM 600 CB MET A 39 5.449 5.671 -3.362 1.00 0.00 C ATOM 601 CG MET A 39 5.803 4.370 -2.656 1.00 0.00 C ATOM 602 SD MET A 39 7.111 3.439 -3.479 1.00 0.00 S ATOM 603 CE MET A 39 6.377 3.153 -5.082 1.00 0.00 C ATOM 0 H MET A 39 3.022 5.050 -3.029 1.00 0.00 H new ATOM 0 HA MET A 39 4.825 6.662 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.042 5.439 -4.346 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.361 6.246 -3.521 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.113 4.592 -1.635 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.911 3.747 -2.590 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.946 2.389 -5.612 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.348 2.816 -4.956 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.388 4.079 -5.658 1.00 0.00 H new ATOM 613 N GLY A 40 3.443 8.004 -4.219 1.00 0.00 N ATOM 614 CA GLY A 40 3.225 9.270 -4.879 1.00 0.00 C ATOM 615 C GLY A 40 2.500 10.255 -3.987 1.00 0.00 C ATOM 616 O GLY A 40 2.736 11.451 -4.056 1.00 0.00 O ATOM 0 H GLY A 40 2.873 7.234 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.184 9.692 -5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.646 9.110 -5.789 1.00 0.00 H new ATOM 620 N ARG A 41 1.641 9.735 -3.130 1.00 0.00 N ATOM 621 CA ARG A 41 0.861 10.553 -2.220 1.00 0.00 C ATOM 622 C ARG A 41 1.726 11.130 -1.119 1.00 0.00 C ATOM 623 O ARG A 41 1.713 12.335 -0.866 1.00 0.00 O ATOM 624 CB ARG A 41 -0.259 9.727 -1.587 1.00 0.00 C ATOM 625 CG ARG A 41 -1.097 10.512 -0.597 1.00 0.00 C ATOM 626 CD ARG A 41 -2.207 9.676 0.002 1.00 0.00 C ATOM 627 NE ARG A 41 -3.193 10.516 0.690 1.00 0.00 N ATOM 628 CZ ARG A 41 -3.980 10.130 1.696 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.818 8.957 2.269 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.918 10.943 2.155 1.00 0.00 N ATOM 0 H ARG A 41 1.464 8.734 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 41 0.435 11.371 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.906 9.341 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.176 8.865 -1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.457 10.888 0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.527 11.380 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.699 9.103 -0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.785 8.957 0.704 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.285 11.481 0.371 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.083 8.328 1.945 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.428 8.676 3.037 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.040 11.867 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.519 10.646 2.924 1.00 0.00 H new ATOM 644 N GLU A 42 2.484 10.278 -0.493 1.00 0.00 N ATOM 645 CA GLU A 42 3.263 10.665 0.666 1.00 0.00 C ATOM 646 C GLU A 42 4.579 11.282 0.293 1.00 0.00 C ATOM 647 O GLU A 42 5.281 11.824 1.147 1.00 0.00 O ATOM 648 CB GLU A 42 3.523 9.482 1.524 1.00 0.00 C ATOM 649 CG GLU A 42 2.283 8.855 2.147 1.00 0.00 C ATOM 650 CD GLU A 42 1.599 9.787 3.110 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.977 9.795 4.307 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.708 10.534 2.707 1.00 0.00 O ATOM 0 H GLU A 42 2.585 9.299 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 42 2.676 11.410 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.035 8.726 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.205 9.774 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.585 8.573 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.563 7.939 2.667 1.00 0.00 H new ATOM 659 N LYS A 43 4.893 11.189 -0.970 1.00 0.00 N ATOM 660 CA LYS A 43 6.120 11.693 -1.572 1.00 0.00 C ATOM 661 C LYS A 43 7.306 10.842 -1.157 1.00 0.00 C ATOM 662 O LYS A 43 8.201 11.294 -0.444 1.00 0.00 O ATOM 663 CB LYS A 43 6.404 13.208 -1.302 1.00 0.00 C ATOM 664 CG LYS A 43 5.179 14.136 -1.321 1.00 0.00 C ATOM 665 CD LYS A 43 4.241 13.864 -2.482 1.00 0.00 C ATOM 666 CE LYS A 43 4.890 14.110 -3.850 1.00 0.00 C ATOM 667 NZ LYS A 43 5.338 15.513 -4.028 1.00 0.00 N ATOM 0 H LYS A 43 4.278 10.740 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 43 5.969 11.616 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.889 13.299 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.115 13.563 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.631 14.023 -0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.516 15.171 -1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.898 12.831 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.360 14.498 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.744 13.443 -3.968 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.178 13.858 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.675 15.649 -5.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.543 16.157 -3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.111 15.718 -3.363 1.00 0.00 H new ATOM 681 N LEU A 44 7.254 9.593 -1.536 1.00 0.00 N ATOM 682 CA LEU A 44 8.348 8.692 -1.319 1.00 0.00 C ATOM 683 C LEU A 44 9.154 8.595 -2.570 1.00 0.00 C ATOM 684 O LEU A 44 8.656 8.885 -3.664 1.00 0.00 O ATOM 685 CB LEU A 44 7.916 7.271 -0.912 1.00 0.00 C ATOM 686 CG LEU A 44 7.658 7.006 0.571 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.422 7.712 1.063 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.577 5.513 0.831 1.00 0.00 C ATOM 0 H LEU A 44 6.450 9.174 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 44 8.923 9.103 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.006 7.027 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.686 6.577 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 44 8.498 7.413 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.277 7.496 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.538 8.787 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.556 7.365 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.393 5.338 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.763 5.085 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.517 5.042 0.543 1.00 0.00 H new ATOM 700 N LYS A 45 10.373 8.193 -2.436 1.00 0.00 N ATOM 701 CA LYS A 45 11.207 8.002 -3.577 1.00 0.00 C ATOM 702 C LYS A 45 11.399 6.513 -3.829 1.00 0.00 C ATOM 703 O LYS A 45 12.130 5.809 -3.111 1.00 0.00 O ATOM 704 CB LYS A 45 12.548 8.797 -3.521 1.00 0.00 C ATOM 705 CG LYS A 45 13.482 8.513 -2.339 1.00 0.00 C ATOM 706 CD LYS A 45 13.018 9.106 -1.014 1.00 0.00 C ATOM 707 CE LYS A 45 13.016 10.627 -1.035 1.00 0.00 C ATOM 708 NZ LYS A 45 12.618 11.195 0.267 1.00 0.00 N ATOM 0 H LYS A 45 10.818 7.989 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 45 10.693 8.431 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.097 8.598 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.310 9.861 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.585 7.434 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.472 8.905 -2.572 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.014 8.746 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.670 8.756 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.010 10.988 -1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.333 10.978 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.629 12.233 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.659 10.872 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.284 10.881 1.001 1.00 0.00 H new ATOM 722 N ALA A 46 10.707 6.035 -4.834 1.00 0.00 N ATOM 723 CA ALA A 46 10.678 4.627 -5.203 1.00 0.00 C ATOM 724 C ALA A 46 12.013 4.155 -5.785 1.00 0.00 C ATOM 725 O ALA A 46 12.257 2.961 -5.923 1.00 0.00 O ATOM 726 CB ALA A 46 9.546 4.387 -6.183 1.00 0.00 C ATOM 0 H ALA A 46 10.132 6.623 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 46 10.508 4.042 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.522 3.333 -6.461 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.599 4.661 -5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.702 4.994 -7.075 1.00 0.00 H new ATOM 732 N ALA A 47 12.877 5.094 -6.108 1.00 0.00 N ATOM 733 CA ALA A 47 14.191 4.768 -6.640 1.00 0.00 C ATOM 734 C ALA A 47 15.186 4.499 -5.505 1.00 0.00 C ATOM 735 O ALA A 47 16.346 4.158 -5.741 1.00 0.00 O ATOM 736 CB ALA A 47 14.678 5.883 -7.546 1.00 0.00 C ATOM 0 H ALA A 47 12.696 6.093 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 47 14.113 3.856 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.662 5.629 -7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.979 6.011 -8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.743 6.811 -6.978 1.00 0.00 H new ATOM 742 N ASP A 48 14.712 4.655 -4.286 1.00 0.00 N ATOM 743 CA ASP A 48 15.509 4.420 -3.076 1.00 0.00 C ATOM 744 C ASP A 48 14.913 3.290 -2.274 1.00 0.00 C ATOM 745 O ASP A 48 15.621 2.434 -1.731 1.00 0.00 O ATOM 746 CB ASP A 48 15.502 5.674 -2.210 1.00 0.00 C ATOM 747 CG ASP A 48 16.206 5.515 -0.871 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.449 5.649 -0.818 1.00 0.00 O ATOM 749 OD2 ASP A 48 15.517 5.326 0.170 1.00 0.00 O ATOM 0 H ASP A 48 13.755 4.951 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 48 16.527 4.168 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.976 6.485 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.469 5.972 -2.031 1.00 0.00 H new ATOM 754 N CYS A 49 13.614 3.264 -2.218 1.00 0.00 N ATOM 755 CA CYS A 49 12.941 2.320 -1.394 1.00 0.00 C ATOM 756 C CYS A 49 11.726 1.738 -2.082 1.00 0.00 C ATOM 757 O CYS A 49 11.213 2.303 -3.049 1.00 0.00 O ATOM 758 CB CYS A 49 12.543 3.003 -0.091 1.00 0.00 C ATOM 759 SG CYS A 49 11.633 4.555 -0.328 1.00 0.00 S ATOM 0 H CYS A 49 13.002 3.892 -2.739 1.00 0.00 H new ATOM 0 HA CYS A 49 13.616 1.489 -1.189 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.930 2.318 0.495 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.441 3.205 0.492 1.00 0.00 H new ATOM 0 HG CYS A 49 11.869 5.019 -1.519 1.00 0.00 H new ATOM 765 N ASP A 50 11.291 0.618 -1.584 1.00 0.00 N ATOM 766 CA ASP A 50 10.122 -0.053 -2.063 1.00 0.00 C ATOM 767 C ASP A 50 9.117 -0.041 -0.937 1.00 0.00 C ATOM 768 O ASP A 50 9.469 0.261 0.219 1.00 0.00 O ATOM 769 CB ASP A 50 10.433 -1.496 -2.486 1.00 0.00 C ATOM 770 CG ASP A 50 9.250 -2.157 -3.194 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.875 -1.711 -4.313 1.00 0.00 O ATOM 772 OD2 ASP A 50 8.644 -3.058 -2.636 1.00 0.00 O ATOM 0 H ASP A 50 11.753 0.135 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 50 9.734 0.454 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.299 -1.500 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.701 -2.081 -1.606 1.00 0.00 H new ATOM 777 N LEU A 51 7.915 -0.367 -1.224 1.00 0.00 N ATOM 778 CA LEU A 51 6.899 -0.278 -0.259 1.00 0.00 C ATOM 779 C LEU A 51 6.374 -1.680 0.066 1.00 0.00 C ATOM 780 O LEU A 51 5.730 -2.321 -0.743 1.00 0.00 O ATOM 781 CB LEU A 51 5.818 0.650 -0.797 1.00 0.00 C ATOM 782 CG LEU A 51 4.810 1.139 0.191 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.516 1.887 1.295 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.812 2.044 -0.480 1.00 0.00 C ATOM 0 H LEU A 51 7.611 -0.703 -2.138 1.00 0.00 H new ATOM 0 HA LEU A 51 7.271 0.139 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.304 1.516 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.289 0.131 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 51 4.277 0.284 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.783 2.245 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.221 1.221 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.054 2.736 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.085 2.391 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.330 2.901 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.297 1.496 -1.269 1.00 0.00 H new ATOM 796 N GLN A 52 6.664 -2.146 1.230 1.00 0.00 N ATOM 797 CA GLN A 52 6.294 -3.477 1.616 1.00 0.00 C ATOM 798 C GLN A 52 4.983 -3.407 2.337 1.00 0.00 C ATOM 799 O GLN A 52 4.859 -2.722 3.349 1.00 0.00 O ATOM 800 CB GLN A 52 7.328 -4.060 2.536 1.00 0.00 C ATOM 801 CG GLN A 52 7.346 -5.572 2.551 1.00 0.00 C ATOM 802 CD GLN A 52 8.346 -6.123 3.530 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.597 -5.531 4.584 1.00 0.00 O ATOM 804 NE2 GLN A 52 8.978 -7.198 3.173 1.00 0.00 N ATOM 0 H GLN A 52 7.164 -1.621 1.947 1.00 0.00 H new ATOM 0 HA GLN A 52 6.218 -4.107 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.312 -3.697 2.239 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.147 -3.698 3.548 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.352 -5.942 2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.579 -5.940 1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.743 -7.660 2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.710 -7.581 3.771 1.00 0.00 H new ATOM 813 N ILE A 53 4.014 -4.075 1.836 1.00 0.00 N ATOM 814 CA ILE A 53 2.720 -4.003 2.422 1.00 0.00 C ATOM 815 C ILE A 53 2.427 -5.322 3.101 1.00 0.00 C ATOM 816 O ILE A 53 2.671 -6.385 2.536 1.00 0.00 O ATOM 817 CB ILE A 53 1.640 -3.702 1.347 1.00 0.00 C ATOM 818 CG1 ILE A 53 2.068 -2.532 0.445 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.281 -3.408 1.977 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.303 -1.215 1.122 1.00 0.00 C ATOM 0 H ILE A 53 4.087 -4.681 1.019 1.00 0.00 H new ATOM 0 HA ILE A 53 2.697 -3.192 3.150 1.00 0.00 H new ATOM 0 HB ILE A 53 1.542 -4.599 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.984 -2.818 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.302 -2.391 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.447 -3.202 1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.045 -4.271 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.363 -2.540 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.599 -0.473 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.386 -0.890 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.095 -1.323 1.864 1.00 0.00 H new ATOM 832 N THR A 54 1.994 -5.261 4.307 1.00 0.00 N ATOM 833 CA THR A 54 1.618 -6.434 5.036 1.00 0.00 C ATOM 834 C THR A 54 0.158 -6.301 5.431 1.00 0.00 C ATOM 835 O THR A 54 -0.321 -5.209 5.617 1.00 0.00 O ATOM 836 CB THR A 54 2.485 -6.573 6.298 1.00 0.00 C ATOM 837 OG1 THR A 54 3.862 -6.481 5.919 1.00 0.00 O ATOM 838 CG2 THR A 54 2.235 -7.911 6.990 1.00 0.00 C ATOM 0 H THR A 54 1.887 -4.391 4.828 1.00 0.00 H new ATOM 0 HA THR A 54 1.764 -7.319 4.417 1.00 0.00 H new ATOM 0 HB THR A 54 2.226 -5.777 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.422 -6.873 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.861 -7.983 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.186 -7.981 7.278 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.479 -8.725 6.307 1.00 0.00 H new ATOM 846 N ASN A 55 -0.550 -7.377 5.499 1.00 0.00 N ATOM 847 CA ASN A 55 -1.922 -7.326 5.943 1.00 0.00 C ATOM 848 C ASN A 55 -1.937 -7.215 7.460 1.00 0.00 C ATOM 849 O ASN A 55 -1.153 -7.882 8.131 1.00 0.00 O ATOM 850 CB ASN A 55 -2.644 -8.576 5.533 1.00 0.00 C ATOM 851 CG ASN A 55 -4.122 -8.442 5.630 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.687 -8.603 6.676 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.751 -8.213 4.555 1.00 0.00 N ATOM 0 H ASN A 55 -0.211 -8.308 5.255 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.419 -6.467 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.372 -8.828 4.508 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.316 -9.403 6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.770 -8.161 4.561 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.239 -8.081 3.683 1.00 0.00 H new ATOM 860 N ALA A 56 -2.806 -6.393 8.007 1.00 0.00 N ATOM 861 CA ALA A 56 -2.861 -6.218 9.457 1.00 0.00 C ATOM 862 C ALA A 56 -3.655 -7.337 10.109 1.00 0.00 C ATOM 863 O ALA A 56 -3.461 -7.664 11.277 1.00 0.00 O ATOM 864 CB ALA A 56 -3.484 -4.877 9.801 1.00 0.00 C ATOM 0 H ALA A 56 -3.481 -5.837 7.483 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.841 -6.249 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.519 -4.759 10.884 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.885 -4.076 9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.496 -4.832 9.398 1.00 0.00 H new ATOM 870 N GLN A 57 -4.504 -7.943 9.334 1.00 0.00 N ATOM 871 CA GLN A 57 -5.426 -8.935 9.824 1.00 0.00 C ATOM 872 C GLN A 57 -4.857 -10.355 9.616 1.00 0.00 C ATOM 873 O GLN A 57 -4.753 -11.147 10.568 1.00 0.00 O ATOM 874 CB GLN A 57 -6.754 -8.763 9.074 1.00 0.00 C ATOM 875 CG GLN A 57 -7.212 -7.301 8.993 1.00 0.00 C ATOM 876 CD GLN A 57 -8.442 -7.087 8.134 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.587 -6.040 7.492 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.354 -8.016 8.149 1.00 0.00 N ATOM 0 H GLN A 57 -4.580 -7.764 8.333 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.585 -8.803 10.894 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.649 -9.162 8.065 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.525 -9.352 9.571 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.418 -6.939 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.396 -6.697 8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.205 -8.869 8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.218 -7.891 7.621 1.00 0.00 H new ATOM 887 N THR A 58 -4.438 -10.658 8.387 1.00 0.00 N ATOM 888 CA THR A 58 -3.960 -11.988 8.050 1.00 0.00 C ATOM 889 C THR A 58 -2.461 -12.074 8.295 1.00 0.00 C ATOM 890 O THR A 58 -1.883 -13.165 8.398 1.00 0.00 O ATOM 891 CB THR A 58 -4.253 -12.318 6.567 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.458 -11.474 5.727 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.713 -12.047 6.249 1.00 0.00 C ATOM 0 H THR A 58 -4.422 -9.996 7.611 1.00 0.00 H new ATOM 0 HA THR A 58 -4.481 -12.708 8.681 1.00 0.00 H new ATOM 0 HB THR A 58 -4.021 -13.369 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.641 -11.682 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.907 -12.283 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.345 -12.668 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.936 -10.996 6.431 1.00 0.00 H new ATOM 901 N LYS A 59 -1.843 -10.889 8.378 1.00 0.00 N ATOM 902 CA LYS A 59 -0.414 -10.718 8.609 1.00 0.00 C ATOM 903 C LYS A 59 0.399 -11.261 7.440 1.00 0.00 C ATOM 904 O LYS A 59 1.576 -11.579 7.587 1.00 0.00 O ATOM 905 CB LYS A 59 0.026 -11.343 9.952 1.00 0.00 C ATOM 906 CG LYS A 59 -0.728 -10.802 11.177 1.00 0.00 C ATOM 907 CD LYS A 59 -0.595 -9.281 11.338 1.00 0.00 C ATOM 908 CE LYS A 59 0.841 -8.846 11.575 1.00 0.00 C ATOM 909 NZ LYS A 59 0.949 -7.384 11.736 1.00 0.00 N ATOM 0 H LYS A 59 -2.341 -10.004 8.283 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.216 -9.648 8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.115 -12.423 9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.093 -11.167 10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.783 -11.062 11.092 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.351 -11.292 12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.978 -8.789 10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.214 -8.951 12.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.228 -9.340 12.466 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.461 -9.167 10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.943 -7.125 11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.603 -6.913 10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.377 -7.081 12.550 1.00 0.00 H new ATOM 923 N GLU A 60 -0.218 -11.320 6.275 1.00 0.00 N ATOM 924 CA GLU A 60 0.466 -11.805 5.098 1.00 0.00 C ATOM 925 C GLU A 60 1.247 -10.649 4.467 1.00 0.00 C ATOM 926 O GLU A 60 0.692 -9.553 4.283 1.00 0.00 O ATOM 927 CB GLU A 60 -0.556 -12.356 4.095 1.00 0.00 C ATOM 928 CG GLU A 60 0.047 -13.061 2.888 1.00 0.00 C ATOM 929 CD GLU A 60 0.800 -14.311 3.270 1.00 0.00 C ATOM 930 OE1 GLU A 60 1.992 -14.226 3.599 1.00 0.00 O ATOM 931 OE2 GLU A 60 0.195 -15.418 3.252 1.00 0.00 O ATOM 0 H GLU A 60 -1.186 -11.039 6.122 1.00 0.00 H new ATOM 0 HA GLU A 60 1.154 -12.605 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.213 -13.054 4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.178 -11.533 3.743 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.747 -13.318 2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.721 -12.378 2.371 1.00 0.00 H new ATOM 938 N GLU A 61 2.520 -10.866 4.189 1.00 0.00 N ATOM 939 CA GLU A 61 3.320 -9.898 3.532 1.00 0.00 C ATOM 940 C GLU A 61 3.163 -10.032 2.066 1.00 0.00 C ATOM 941 O GLU A 61 3.328 -11.112 1.494 1.00 0.00 O ATOM 942 CB GLU A 61 4.778 -10.015 3.903 1.00 0.00 C ATOM 943 CG GLU A 61 5.094 -9.481 5.266 1.00 0.00 C ATOM 944 CD GLU A 61 6.556 -9.570 5.634 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.165 -10.635 5.454 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.122 -8.583 6.158 1.00 0.00 O ATOM 0 H GLU A 61 3.012 -11.729 4.422 1.00 0.00 H new ATOM 0 HA GLU A 61 2.978 -8.915 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.074 -11.063 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.376 -9.481 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.779 -8.439 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.509 -10.029 6.005 1.00 0.00 H new ATOM 953 N TYR A 62 2.854 -8.955 1.463 1.00 0.00 N ATOM 954 CA TYR A 62 2.647 -8.922 0.055 1.00 0.00 C ATOM 955 C TYR A 62 3.978 -8.768 -0.635 1.00 0.00 C ATOM 956 O TYR A 62 4.529 -7.671 -0.760 1.00 0.00 O ATOM 957 CB TYR A 62 1.644 -7.838 -0.321 1.00 0.00 C ATOM 958 CG TYR A 62 0.302 -8.042 0.355 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.477 -9.150 0.059 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.176 -7.140 1.289 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.692 -9.351 0.670 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.393 -7.334 1.906 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.144 -8.444 1.591 1.00 0.00 C ATOM 964 OH TYR A 62 -3.358 -8.646 2.203 1.00 0.00 O ATOM 0 H TYR A 62 2.734 -8.055 1.928 1.00 0.00 H new ATOM 0 HA TYR A 62 2.207 -9.860 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.044 -6.863 -0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.507 -7.831 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.123 -9.869 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.414 -6.270 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.286 -10.219 0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.755 -6.620 2.631 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.536 -9.608 2.268 1.00 0.00 H new ATOM 974 N THR A 63 4.527 -9.889 -0.996 1.00 0.00 N ATOM 975 CA THR A 63 5.829 -9.972 -1.574 1.00 0.00 C ATOM 976 C THR A 63 5.829 -9.829 -3.102 1.00 0.00 C ATOM 977 O THR A 63 6.801 -9.346 -3.695 1.00 0.00 O ATOM 978 CB THR A 63 6.461 -11.290 -1.139 1.00 0.00 C ATOM 979 OG1 THR A 63 5.461 -12.334 -1.224 1.00 0.00 O ATOM 980 CG2 THR A 63 6.959 -11.185 0.295 1.00 0.00 C ATOM 0 H THR A 63 4.067 -10.793 -0.893 1.00 0.00 H new ATOM 0 HA THR A 63 6.418 -9.129 -1.213 1.00 0.00 H new ATOM 0 HB THR A 63 7.305 -11.521 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.997 -12.413 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.408 -12.132 0.594 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.704 -10.392 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.122 -10.956 0.955 1.00 0.00 H new ATOM 988 N ASP A 64 4.754 -10.214 -3.735 1.00 0.00 N ATOM 989 CA ASP A 64 4.697 -10.134 -5.191 1.00 0.00 C ATOM 990 C ASP A 64 3.937 -8.908 -5.562 1.00 0.00 C ATOM 991 O ASP A 64 2.978 -8.572 -4.887 1.00 0.00 O ATOM 992 CB ASP A 64 3.978 -11.316 -5.779 1.00 0.00 C ATOM 993 CG ASP A 64 4.415 -11.571 -7.185 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.430 -12.257 -7.388 1.00 0.00 O ATOM 995 OD2 ASP A 64 3.737 -11.095 -8.112 1.00 0.00 O ATOM 0 H ASP A 64 3.914 -10.581 -3.287 1.00 0.00 H new ATOM 0 HA ASP A 64 5.717 -10.115 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.168 -12.200 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.903 -11.139 -5.756 1.00 0.00 H new ATOM 1000 N ASP A 65 4.294 -8.266 -6.649 1.00 0.00 N ATOM 1001 CA ASP A 65 3.626 -7.015 -7.022 1.00 0.00 C ATOM 1002 C ASP A 65 2.221 -7.230 -7.553 1.00 0.00 C ATOM 1003 O ASP A 65 1.468 -6.264 -7.777 1.00 0.00 O ATOM 1004 CB ASP A 65 4.447 -6.138 -7.981 1.00 0.00 C ATOM 1005 CG ASP A 65 5.734 -5.587 -7.387 1.00 0.00 C ATOM 1006 OD1 ASP A 65 6.747 -6.316 -7.307 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.768 -4.403 -7.017 1.00 0.00 O ATOM 0 H ASP A 65 5.028 -8.571 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 65 3.543 -6.463 -6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.692 -6.723 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.828 -5.304 -8.310 1.00 0.00 H new ATOM 1012 N ASN A 66 1.852 -8.479 -7.718 1.00 0.00 N ATOM 1013 CA ASN A 66 0.533 -8.822 -8.200 1.00 0.00 C ATOM 1014 C ASN A 66 -0.449 -8.871 -7.034 1.00 0.00 C ATOM 1015 O ASN A 66 -1.665 -8.887 -7.249 1.00 0.00 O ATOM 1016 CB ASN A 66 0.583 -10.204 -8.879 1.00 0.00 C ATOM 1017 CG ASN A 66 0.241 -11.352 -7.948 1.00 0.00 C ATOM 1018 OD1 ASN A 66 1.217 -11.804 -7.242 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 -0.908 -11.799 -7.863 1.00 0.00 N flip ATOM 0 H ASN A 66 2.452 -9.281 -7.524 1.00 0.00 H new ATOM 0 HA ASN A 66 0.205 -8.068 -8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.110 -10.211 -9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.581 -10.363 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.651 -11.409 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.113 -12.558 -7.213 1.00 0.00 H new ATOM 1026 N ALA A 67 0.097 -8.844 -5.810 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.682 -8.957 -4.593 1.00 0.00 C ATOM 1028 C ALA A 67 -1.684 -7.829 -4.475 1.00 0.00 C ATOM 1029 O ALA A 67 -1.322 -6.688 -4.351 1.00 0.00 O ATOM 1030 CB ALA A 67 0.236 -8.999 -3.401 1.00 0.00 C ATOM 0 H ALA A 67 1.099 -8.742 -5.648 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.249 -9.887 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.355 -9.084 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.901 -9.859 -3.484 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.828 -8.085 -3.365 1.00 0.00 H new ATOM 1036 N LEU A 68 -2.919 -8.164 -4.532 1.00 0.00 N ATOM 1037 CA LEU A 68 -3.985 -7.200 -4.552 1.00 0.00 C ATOM 1038 C LEU A 68 -4.479 -6.890 -3.151 1.00 0.00 C ATOM 1039 O LEU A 68 -4.542 -7.782 -2.286 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.119 -7.712 -5.446 1.00 0.00 C ATOM 1041 CG LEU A 68 -5.863 -8.948 -4.932 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.031 -8.552 -4.081 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.276 -9.866 -6.054 1.00 0.00 C ATOM 0 H LEU A 68 -3.237 -9.133 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.607 -6.265 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.841 -6.907 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.707 -7.941 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.170 -9.512 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.544 -9.447 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.679 -7.974 -3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.721 -7.947 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.800 -10.729 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.936 -9.332 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.391 -10.202 -6.594 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.740 -5.643 -2.885 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.333 -5.287 -1.632 1.00 0.00 C ATOM 1057 C ILE A 69 -6.742 -4.712 -1.870 1.00 0.00 C ATOM 1058 O ILE A 69 -6.906 -3.702 -2.562 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.481 -4.294 -0.759 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.095 -4.872 -0.391 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.237 -3.912 0.514 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.057 -4.841 -1.498 1.00 0.00 C ATOM 0 H ILE A 69 -4.553 -4.862 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.383 -6.209 -1.053 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.316 -3.404 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.706 -4.318 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.226 -5.905 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.631 -3.225 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.178 -3.430 0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.442 -4.809 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.123 -5.269 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.415 -5.421 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.886 -3.810 -1.808 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.770 -5.403 -1.375 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.155 -4.952 -1.455 1.00 0.00 C ATOM 1076 C PRO A 70 -9.506 -3.912 -0.411 1.00 0.00 C ATOM 1077 O PRO A 70 -8.893 -3.848 0.658 1.00 0.00 O ATOM 1078 CB PRO A 70 -9.942 -6.223 -1.181 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.051 -7.021 -0.299 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.661 -6.717 -0.730 1.00 0.00 C ATOM 0 HA PRO A 70 -9.362 -4.476 -2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.893 -6.005 -0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.171 -6.756 -2.104 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.201 -6.756 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.263 -8.086 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.977 -6.690 0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.283 -7.471 -1.421 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.559 -3.155 -0.691 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.067 -2.117 0.224 1.00 0.00 C ATOM 1090 C LYS A 71 -11.679 -2.730 1.490 1.00 0.00 C ATOM 1091 O LYS A 71 -12.081 -2.029 2.413 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.110 -1.238 -0.478 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.286 -2.007 -1.077 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.404 -1.069 -1.486 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.642 -1.816 -1.953 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.766 -0.892 -2.222 1.00 0.00 N ATOM 0 H LYS A 71 -11.092 -3.236 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.216 -1.502 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.494 -0.511 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.618 -0.676 -1.272 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.949 -2.575 -1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.660 -2.728 -0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.665 -0.429 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.053 -0.416 -2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.409 -2.379 -2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.939 -2.540 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.370 -1.289 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.326 -0.765 -1.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.393 0.028 -2.531 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.732 -4.032 1.512 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.302 -4.785 2.619 1.00 0.00 C ATOM 1112 C ASN A 72 -11.242 -5.030 3.692 1.00 0.00 C ATOM 1113 O ASN A 72 -11.551 -5.460 4.812 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.824 -6.149 2.122 1.00 0.00 C ATOM 1115 CG ASN A 72 -13.909 -6.058 1.052 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -14.702 -5.120 1.014 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -13.946 -7.026 0.171 1.00 0.00 N ATOM 0 H ASN A 72 -11.378 -4.618 0.756 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.124 -4.205 3.038 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.986 -6.722 1.725 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.216 -6.706 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.646 -7.014 -0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.275 -7.792 0.227 1.00 0.00 H new ATOM 1124 N SER A 73 -10.003 -4.751 3.369 1.00 0.00 N ATOM 1125 CA SER A 73 -8.920 -5.061 4.262 1.00 0.00 C ATOM 1126 C SER A 73 -8.148 -3.822 4.708 1.00 0.00 C ATOM 1127 O SER A 73 -8.160 -2.787 4.037 1.00 0.00 O ATOM 1128 CB SER A 73 -7.990 -6.065 3.585 1.00 0.00 C ATOM 1129 OG SER A 73 -8.713 -7.237 3.223 1.00 0.00 O ATOM 0 H SER A 73 -9.722 -4.310 2.493 1.00 0.00 H new ATOM 0 HA SER A 73 -9.344 -5.495 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.542 -5.617 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.173 -6.326 4.258 1.00 0.00 H new ATOM 0 HG SER A 73 -8.108 -7.873 2.788 1.00 0.00 H new ATOM 1135 N SER A 74 -7.534 -3.932 5.865 1.00 0.00 N ATOM 1136 CA SER A 74 -6.662 -2.922 6.386 1.00 0.00 C ATOM 1137 C SER A 74 -5.240 -3.464 6.324 1.00 0.00 C ATOM 1138 O SER A 74 -4.982 -4.624 6.720 1.00 0.00 O ATOM 1139 CB SER A 74 -7.051 -2.583 7.820 1.00 0.00 C ATOM 1140 OG SER A 74 -8.406 -2.138 7.881 1.00 0.00 O ATOM 0 H SER A 74 -7.633 -4.743 6.475 1.00 0.00 H new ATOM 0 HA SER A 74 -6.738 -2.006 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.922 -3.460 8.455 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.390 -1.808 8.208 1.00 0.00 H new ATOM 0 HG SER A 74 -8.639 -1.926 8.809 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.334 -2.683 5.810 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.989 -3.143 5.615 1.00 0.00 C ATOM 1148 C VAL A 75 -1.949 -2.229 6.261 1.00 0.00 C ATOM 1149 O VAL A 75 -2.196 -1.045 6.530 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.657 -3.396 4.107 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.450 -4.581 3.572 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.956 -2.170 3.256 1.00 0.00 C ATOM 0 H VAL A 75 -4.503 -1.721 5.517 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.933 -4.103 6.128 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.591 -3.613 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.204 -4.739 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.198 -5.475 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.517 -4.378 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.713 -2.382 2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.013 -1.919 3.338 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.355 -1.330 3.605 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.812 -2.804 6.516 1.00 0.00 N ATOM 1163 CA ILE A 76 0.316 -2.150 7.118 1.00 0.00 C ATOM 1164 C ILE A 76 1.259 -1.777 6.011 1.00 0.00 C ATOM 1165 O ILE A 76 1.626 -2.623 5.185 1.00 0.00 O ATOM 1166 CB ILE A 76 1.059 -3.107 8.092 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.095 -3.679 9.140 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.241 -2.412 8.766 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.624 -2.630 9.954 1.00 0.00 C ATOM 0 H ILE A 76 -0.635 -3.785 6.301 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.023 -1.279 7.679 1.00 0.00 H new ATOM 0 HB ILE A 76 1.453 -3.934 7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.644 -4.302 8.636 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.653 -4.328 9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.737 -3.110 9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.947 -2.077 8.006 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.883 -1.553 9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.286 -3.116 10.671 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.105 -2.021 10.488 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.212 -1.995 9.291 1.00 0.00 H new ATOM 1181 N VAL A 77 1.629 -0.551 5.972 1.00 0.00 N ATOM 1182 CA VAL A 77 2.481 -0.058 4.945 1.00 0.00 C ATOM 1183 C VAL A 77 3.863 0.228 5.522 1.00 0.00 C ATOM 1184 O VAL A 77 4.028 1.094 6.387 1.00 0.00 O ATOM 1185 CB VAL A 77 1.867 1.206 4.321 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.731 1.750 3.228 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.488 0.894 3.790 1.00 0.00 C ATOM 0 H VAL A 77 1.348 0.150 6.658 1.00 0.00 H new ATOM 0 HA VAL A 77 2.585 -0.807 4.160 1.00 0.00 H new ATOM 0 HB VAL A 77 1.794 1.968 5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.268 2.643 2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.711 2.005 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.845 0.999 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.056 1.792 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.558 0.115 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.147 0.550 4.606 1.00 0.00 H new ATOM 1197 N ARG A 78 4.825 -0.518 5.073 1.00 0.00 N ATOM 1198 CA ARG A 78 6.176 -0.423 5.551 1.00 0.00 C ATOM 1199 C ARG A 78 7.101 -0.023 4.398 1.00 0.00 C ATOM 1200 O ARG A 78 6.950 -0.500 3.293 1.00 0.00 O ATOM 1201 CB ARG A 78 6.588 -1.794 6.109 1.00 0.00 C ATOM 1202 CG ARG A 78 8.022 -1.877 6.607 1.00 0.00 C ATOM 1203 CD ARG A 78 8.422 -3.306 6.937 1.00 0.00 C ATOM 1204 NE ARG A 78 7.626 -3.898 8.022 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.219 -5.182 8.063 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.405 -5.984 7.006 1.00 0.00 N ATOM 1207 NH2 ARG A 78 6.604 -5.649 9.140 1.00 0.00 N ATOM 0 H ARG A 78 4.694 -1.225 4.350 1.00 0.00 H new ATOM 0 HA ARG A 78 6.250 0.332 6.334 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.918 -2.052 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.445 -2.545 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.694 -1.477 5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.136 -1.253 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.318 -3.921 6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.475 -3.326 7.216 1.00 0.00 H new ATOM 0 HE ARG A 78 7.363 -3.293 8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.856 -5.623 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.095 -6.955 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.438 -5.036 9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.296 -6.621 9.170 1.00 0.00 H new ATOM 1221 N ARG A 79 8.029 0.849 4.654 1.00 0.00 N ATOM 1222 CA ARG A 79 8.994 1.255 3.647 1.00 0.00 C ATOM 1223 C ARG A 79 10.240 0.386 3.775 1.00 0.00 C ATOM 1224 O ARG A 79 10.852 0.336 4.840 1.00 0.00 O ATOM 1225 CB ARG A 79 9.361 2.728 3.841 1.00 0.00 C ATOM 1226 CG ARG A 79 10.497 3.211 2.963 1.00 0.00 C ATOM 1227 CD ARG A 79 10.904 4.617 3.334 1.00 0.00 C ATOM 1228 NE ARG A 79 12.126 5.038 2.649 1.00 0.00 N ATOM 1229 CZ ARG A 79 13.177 5.612 3.246 1.00 0.00 C ATOM 1230 NH1 ARG A 79 13.114 5.944 4.540 1.00 0.00 N ATOM 1231 NH2 ARG A 79 14.282 5.874 2.550 1.00 0.00 N ATOM 0 H ARG A 79 8.148 1.304 5.559 1.00 0.00 H new ATOM 0 HA ARG A 79 8.562 1.131 2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.480 3.338 3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.631 2.888 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.351 2.542 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.192 3.180 1.917 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.095 5.305 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.055 4.677 4.412 1.00 0.00 H new ATOM 0 HE ARG A 79 12.181 4.883 1.642 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.264 5.760 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.916 6.381 4.994 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.329 5.637 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.081 6.312 3.008 1.00 0.00 H new ATOM 1245 N ILE A 80 10.619 -0.291 2.720 1.00 0.00 N ATOM 1246 CA ILE A 80 11.784 -1.155 2.764 1.00 0.00 C ATOM 1247 C ILE A 80 12.776 -0.768 1.685 1.00 0.00 C ATOM 1248 O ILE A 80 12.394 -0.167 0.701 1.00 0.00 O ATOM 1249 CB ILE A 80 11.403 -2.679 2.698 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.659 -3.086 1.417 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.617 -3.091 3.912 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.565 -3.578 0.323 1.00 0.00 C ATOM 0 H ILE A 80 10.142 -0.264 1.819 1.00 0.00 H new ATOM 0 HA ILE A 80 12.266 -1.009 3.731 1.00 0.00 H new ATOM 0 HB ILE A 80 12.353 -3.214 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.938 -3.867 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.091 -2.231 1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.366 -4.149 3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.214 -2.919 4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.700 -2.504 3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.969 -3.847 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.270 -2.791 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.114 -4.453 0.671 1.00 0.00 H new ATOM 1264 N PRO A 81 14.058 -1.042 1.865 1.00 0.00 N ATOM 1265 CA PRO A 81 15.062 -0.718 0.859 1.00 0.00 C ATOM 1266 C PRO A 81 14.927 -1.622 -0.369 1.00 0.00 C ATOM 1267 O PRO A 81 14.727 -2.832 -0.243 1.00 0.00 O ATOM 1268 CB PRO A 81 16.385 -1.000 1.582 1.00 0.00 C ATOM 1269 CG PRO A 81 16.035 -2.029 2.598 1.00 0.00 C ATOM 1270 CD PRO A 81 14.655 -1.682 3.058 1.00 0.00 C ATOM 0 HA PRO A 81 14.974 0.304 0.491 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.146 -1.365 0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.783 -0.099 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.066 -3.031 2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.741 -2.016 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.097 -2.567 3.363 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.672 -1.006 3.913 1.00 0.00 H new ATOM 1278 N ILE A 82 15.019 -1.042 -1.552 1.00 0.00 N ATOM 1279 CA ILE A 82 14.973 -1.834 -2.784 1.00 0.00 C ATOM 1280 C ILE A 82 16.266 -2.605 -2.949 1.00 0.00 C ATOM 1281 O ILE A 82 16.332 -3.577 -3.696 1.00 0.00 O ATOM 1282 CB ILE A 82 14.799 -0.969 -4.053 1.00 0.00 C ATOM 1283 CG1 ILE A 82 15.765 0.206 -4.027 1.00 0.00 C ATOM 1284 CG2 ILE A 82 13.370 -0.517 -4.242 1.00 0.00 C ATOM 1285 CD1 ILE A 82 15.917 0.904 -5.337 1.00 0.00 C ATOM 0 H ILE A 82 15.125 -0.037 -1.694 1.00 0.00 H new ATOM 0 HA ILE A 82 14.111 -2.494 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 82 15.039 -1.589 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 82 15.424 0.925 -3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 82 16.743 -0.150 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.296 0.088 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.722 -1.389 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 82 13.059 0.077 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 82 16.623 1.728 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 82 16.289 0.201 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 82 14.950 1.293 -5.656 1.00 0.00 H new ATOM 1297 N GLY A 83 17.300 -2.110 -2.292 1.00 0.00 N ATOM 1298 CA GLY A 83 18.597 -2.700 -2.358 1.00 0.00 C ATOM 1299 C GLY A 83 19.498 -1.867 -3.218 1.00 0.00 C ATOM 1300 O GLY A 83 20.686 -1.736 -2.960 1.00 0.00 O ATOM 0 H GLY A 83 17.248 -1.282 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.017 -2.788 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.526 -3.709 -2.763 1.00 0.00 H new ATOM 1304 N GLY A 84 18.906 -1.282 -4.220 1.00 0.00 N ATOM 1305 CA GLY A 84 19.610 -0.493 -5.187 1.00 0.00 C ATOM 1306 C GLY A 84 19.566 -1.201 -6.488 1.00 0.00 C ATOM 1307 O GLY A 84 19.046 -0.688 -7.483 1.00 0.00 O ATOM 0 H GLY A 84 17.902 -1.342 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.155 0.493 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 84 20.643 -0.340 -4.873 1.00 0.00 H new ATOM 1311 N VAL A 85 20.080 -2.387 -6.485 1.00 0.00 N ATOM 1312 CA VAL A 85 19.972 -3.252 -7.603 1.00 0.00 C ATOM 1313 C VAL A 85 19.015 -4.369 -7.230 1.00 0.00 C ATOM 1314 O VAL A 85 19.161 -5.020 -6.179 1.00 0.00 O ATOM 1315 CB VAL A 85 21.352 -3.777 -8.092 1.00 0.00 C ATOM 1316 CG1 VAL A 85 22.125 -4.506 -7.002 1.00 0.00 C ATOM 1317 CG2 VAL A 85 21.211 -4.642 -9.336 1.00 0.00 C ATOM 0 H VAL A 85 20.591 -2.783 -5.696 1.00 0.00 H new ATOM 0 HA VAL A 85 19.577 -2.702 -8.457 1.00 0.00 H new ATOM 0 HB VAL A 85 21.938 -2.896 -8.356 1.00 0.00 H new ATOM 0 HG11 VAL A 85 23.079 -4.850 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 85 22.303 -3.828 -6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 85 21.546 -5.363 -6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 85 22.195 -4.991 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 85 20.576 -5.499 -9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 85 20.762 -4.056 -10.138 1.00 0.00 H new ATOM 1327 N LYS A 86 18.010 -4.533 -8.022 1.00 0.00 N ATOM 1328 CA LYS A 86 16.978 -5.484 -7.746 1.00 0.00 C ATOM 1329 C LYS A 86 17.326 -6.816 -8.372 1.00 0.00 C ATOM 1330 O LYS A 86 17.067 -7.009 -9.566 1.00 0.00 O ATOM 1331 CB LYS A 86 15.645 -4.973 -8.274 1.00 0.00 C ATOM 1332 CG LYS A 86 15.254 -3.594 -7.749 1.00 0.00 C ATOM 1333 CD LYS A 86 13.905 -3.185 -8.327 1.00 0.00 C ATOM 1334 CE LYS A 86 13.472 -1.788 -7.911 1.00 0.00 C ATOM 1335 NZ LYS A 86 12.144 -1.432 -8.479 1.00 0.00 N ATOM 1336 OXT LYS A 86 17.889 -7.685 -7.672 1.00 0.00 O ATOM 0 H LYS A 86 17.877 -4.009 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 86 16.892 -5.620 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 86 15.687 -4.937 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.864 -5.686 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.204 -3.610 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.014 -2.862 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.953 -3.234 -9.415 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.148 -3.902 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.430 -1.729 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.216 -1.063 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.882 -0.473 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.191 -1.464 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.430 -2.109 -8.143 1.00 0.00 H new TER 1350 LYS A 86