USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 675 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 69 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.999 X(o=-1,f=-0.87) USER MOD Single : A 11 ASN : amide:sc= -0.0532 K(o=-0.053,f=-0.76) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -129:sc= 1.3 USER MOD Single : A 30 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.024) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 82:sc= 0.762 USER MOD Single : A 34 THR OG1 : rot 71:sc= 1.3 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 43 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0845 USER MOD Single : A 45 MET CE :methyl -122:sc= 0 (180deg=-1.96!) USER MOD Single : A 46 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.5!) USER MOD Single : A 47 ASN : amide:sc= -0.353 K(o=-0.35,f=-3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0259) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -9:sc= -0.254 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 2.974 -16.725 1.843 1.00 0.00 N ATOM 30 CA ASP A 3 2.277 -15.442 1.882 1.00 0.00 C ATOM 31 C ASP A 3 3.200 -14.327 2.371 1.00 0.00 C ATOM 32 O ASP A 3 4.326 -14.582 2.806 1.00 0.00 O ATOM 33 CB ASP A 3 1.046 -15.539 2.791 1.00 0.00 C ATOM 34 CG ASP A 3 1.404 -15.849 4.232 1.00 0.00 C ATOM 35 OD1 ASP A 3 1.500 -17.045 4.575 1.00 0.00 O ATOM 36 OD2 ASP A 3 1.590 -14.893 5.015 1.00 0.00 O ATOM 0 HA ASP A 3 1.958 -15.200 0.868 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.496 -14.599 2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.380 -16.314 2.412 1.00 0.00 H new ATOM 41 N VAL A 4 2.716 -13.086 2.296 1.00 0.00 N ATOM 42 CA VAL A 4 3.490 -11.927 2.729 1.00 0.00 C ATOM 43 C VAL A 4 2.659 -11.024 3.642 1.00 0.00 C ATOM 44 O VAL A 4 1.537 -10.644 3.300 1.00 0.00 O ATOM 45 CB VAL A 4 4.001 -11.103 1.526 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.995 -10.047 1.984 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.628 -12.008 0.475 1.00 0.00 C ATOM 0 H VAL A 4 1.788 -12.860 1.938 1.00 0.00 H new ATOM 0 HA VAL A 4 4.349 -12.308 3.282 1.00 0.00 H new ATOM 0 HB VAL A 4 3.147 -10.599 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.343 -9.477 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.511 -9.374 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.844 -10.531 2.466 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.980 -11.404 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.468 -12.546 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.885 -12.722 0.120 1.00 0.00 H new ATOM 57 N ARG A 5 3.222 -10.682 4.803 1.00 0.00 N ATOM 58 CA ARG A 5 2.540 -9.821 5.769 1.00 0.00 C ATOM 59 C ARG A 5 2.832 -8.347 5.489 1.00 0.00 C ATOM 60 O ARG A 5 3.964 -7.890 5.644 1.00 0.00 O ATOM 61 CB ARG A 5 2.975 -10.171 7.197 1.00 0.00 C ATOM 62 CG ARG A 5 2.089 -11.206 7.872 1.00 0.00 C ATOM 63 CD ARG A 5 1.806 -10.835 9.318 1.00 0.00 C ATOM 64 NE ARG A 5 0.894 -11.780 9.963 1.00 0.00 N ATOM 65 CZ ARG A 5 -0.422 -11.833 9.731 1.00 0.00 C ATOM 66 NH1 ARG A 5 -0.987 -11.015 8.843 1.00 0.00 N ATOM 67 NH2 ARG A 5 -1.174 -12.713 10.386 1.00 0.00 N ATOM 0 H ARG A 5 4.149 -10.989 5.096 1.00 0.00 H new ATOM 0 HA ARG A 5 1.468 -9.989 5.669 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.999 -10.543 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.979 -9.262 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.149 -11.294 7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.573 -12.182 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.744 -10.801 9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.376 -9.834 9.357 1.00 0.00 H new ATOM 0 HE ARG A 5 1.287 -12.441 10.633 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.415 -10.341 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.992 -11.063 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -0.747 -13.345 11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -2.178 -12.756 10.211 1.00 0.00 H new ATOM 81 N ILE A 6 1.800 -7.610 5.076 1.00 0.00 N ATOM 82 CA ILE A 6 1.941 -6.187 4.773 1.00 0.00 C ATOM 83 C ILE A 6 1.303 -5.330 5.865 1.00 0.00 C ATOM 84 O ILE A 6 0.144 -5.537 6.234 1.00 0.00 O ATOM 85 CB ILE A 6 1.302 -5.834 3.409 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.793 -6.790 2.316 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.614 -4.390 3.030 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.738 -7.115 1.280 1.00 0.00 C ATOM 0 H ILE A 6 0.857 -7.976 4.944 1.00 0.00 H new ATOM 0 HA ILE A 6 3.009 -5.975 4.726 1.00 0.00 H new ATOM 0 HB ILE A 6 0.221 -5.943 3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.656 -6.348 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.133 -7.716 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.157 -4.159 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.215 -3.720 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.694 -4.257 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.155 -7.796 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.116 -7.586 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.415 -6.197 0.789 1.00 0.00 H new ATOM 100 N LYS A 7 2.066 -4.363 6.377 1.00 0.00 N ATOM 101 CA LYS A 7 1.579 -3.468 7.423 1.00 0.00 C ATOM 102 C LYS A 7 1.241 -2.094 6.841 1.00 0.00 C ATOM 103 O LYS A 7 2.076 -1.463 6.190 1.00 0.00 O ATOM 104 CB LYS A 7 2.619 -3.331 8.539 1.00 0.00 C ATOM 105 CG LYS A 7 2.948 -4.649 9.225 1.00 0.00 C ATOM 106 CD LYS A 7 4.082 -4.489 10.227 1.00 0.00 C ATOM 107 CE LYS A 7 3.565 -4.484 11.656 1.00 0.00 C ATOM 108 NZ LYS A 7 4.667 -4.335 12.648 1.00 0.00 N ATOM 0 H LYS A 7 3.025 -4.181 6.082 1.00 0.00 H new ATOM 0 HA LYS A 7 0.671 -3.898 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.534 -2.908 8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.251 -2.625 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.061 -5.026 9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.225 -5.391 8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.798 -5.301 10.101 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.616 -3.560 10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.852 -3.669 11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.026 -5.411 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.271 -4.336 13.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.334 -5.126 12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.166 -3.438 12.480 1.00 0.00 H new ATOM 122 N PHE A 8 0.006 -1.644 7.073 1.00 0.00 N ATOM 123 CA PHE A 8 -0.454 -0.351 6.568 1.00 0.00 C ATOM 124 C PHE A 8 -0.619 0.659 7.703 1.00 0.00 C ATOM 125 O PHE A 8 -1.017 0.298 8.813 1.00 0.00 O ATOM 126 CB PHE A 8 -1.785 -0.515 5.823 1.00 0.00 C ATOM 127 CG PHE A 8 -1.716 -1.464 4.656 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.600 -2.830 4.863 1.00 0.00 C ATOM 129 CD2 PHE A 8 -1.764 -0.989 3.355 1.00 0.00 C ATOM 130 CE1 PHE A 8 -1.537 -3.704 3.794 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.702 -1.858 2.283 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.585 -3.215 2.503 1.00 0.00 C ATOM 0 H PHE A 8 -0.694 -2.158 7.608 1.00 0.00 H new ATOM 0 HA PHE A 8 0.302 0.027 5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.541 -0.870 6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.114 0.461 5.466 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.558 -3.216 5.871 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.851 0.073 3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.450 -4.766 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.745 -1.476 1.274 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.531 -3.895 1.666 1.00 0.00 H new ATOM 142 N GLU A 9 -0.311 1.924 7.412 1.00 0.00 N ATOM 143 CA GLU A 9 -0.423 2.991 8.404 1.00 0.00 C ATOM 144 C GLU A 9 -1.371 4.094 7.929 1.00 0.00 C ATOM 145 O GLU A 9 -1.178 4.676 6.860 1.00 0.00 O ATOM 146 CB GLU A 9 0.958 3.583 8.702 1.00 0.00 C ATOM 147 CG GLU A 9 1.033 4.321 10.033 1.00 0.00 C ATOM 148 CD GLU A 9 1.511 3.437 11.173 1.00 0.00 C ATOM 149 OE1 GLU A 9 2.622 2.874 11.068 1.00 0.00 O ATOM 150 OE2 GLU A 9 0.776 3.311 12.172 1.00 0.00 O ATOM 0 H GLU A 9 0.018 2.233 6.497 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.834 2.558 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.696 2.781 8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.230 4.269 7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.706 5.172 9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.049 4.720 10.277 1.00 0.00 H new ATOM 157 N HIS A 10 -2.390 4.378 8.741 1.00 0.00 N ATOM 158 CA HIS A 10 -3.372 5.413 8.425 1.00 0.00 C ATOM 159 C HIS A 10 -3.760 6.183 9.686 1.00 0.00 C ATOM 160 O HIS A 10 -4.330 5.611 10.615 1.00 0.00 O ATOM 161 CB HIS A 10 -4.618 4.788 7.788 1.00 0.00 C ATOM 162 CG HIS A 10 -5.619 5.792 7.300 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.981 5.591 7.368 1.00 0.00 N ATOM 164 CD2 HIS A 10 -5.449 7.013 6.730 1.00 0.00 C ATOM 165 CE1 HIS A 10 -7.605 6.638 6.859 1.00 0.00 C ATOM 166 NE2 HIS A 10 -6.700 7.515 6.468 1.00 0.00 N ATOM 0 H HIS A 10 -2.556 3.902 9.628 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.924 6.108 7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.310 4.160 6.952 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.098 4.135 8.517 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.507 7.498 6.522 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.675 6.756 6.777 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -6.898 8.420 6.040 1.00 0.00 H new ATOM 175 N ASN A 11 -3.439 7.479 9.715 1.00 0.00 N ATOM 176 CA ASN A 11 -3.745 8.333 10.868 1.00 0.00 C ATOM 177 C ASN A 11 -3.096 7.789 12.147 1.00 0.00 C ATOM 178 O ASN A 11 -3.627 7.960 13.247 1.00 0.00 O ATOM 179 CB ASN A 11 -5.265 8.454 11.060 1.00 0.00 C ATOM 180 CG ASN A 11 -5.883 9.523 10.177 1.00 0.00 C ATOM 181 OD1 ASN A 11 -5.308 10.594 9.979 1.00 0.00 O ATOM 182 ND2 ASN A 11 -7.066 9.240 9.641 1.00 0.00 N ATOM 0 H ASN A 11 -2.966 7.962 8.951 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.333 9.322 10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.732 7.494 10.842 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.478 8.683 12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.530 9.922 9.041 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.509 8.341 9.830 1.00 0.00 H new ATOM 189 N GLY A 12 -1.943 7.130 11.995 1.00 0.00 N ATOM 190 CA GLY A 12 -1.245 6.564 13.138 1.00 0.00 C ATOM 191 C GLY A 12 -1.733 5.165 13.512 1.00 0.00 C ATOM 192 O GLY A 12 -1.191 4.544 14.430 1.00 0.00 O ATOM 0 H GLY A 12 -1.482 6.980 11.098 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.178 6.523 12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.369 7.226 13.995 1.00 0.00 H new ATOM 196 N GLU A 13 -2.753 4.663 12.805 1.00 0.00 N ATOM 197 CA GLU A 13 -3.298 3.334 13.074 1.00 0.00 C ATOM 198 C GLU A 13 -2.509 2.261 12.328 1.00 0.00 C ATOM 199 O GLU A 13 -2.070 2.474 11.196 1.00 0.00 O ATOM 200 CB GLU A 13 -4.776 3.270 12.678 1.00 0.00 C ATOM 201 CG GLU A 13 -5.706 3.915 13.694 1.00 0.00 C ATOM 202 CD GLU A 13 -6.331 2.902 14.631 1.00 0.00 C ATOM 203 OE1 GLU A 13 -5.653 2.486 15.594 1.00 0.00 O ATOM 204 OE2 GLU A 13 -7.498 2.520 14.400 1.00 0.00 O ATOM 0 H GLU A 13 -3.215 5.160 12.043 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.211 3.145 14.144 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.907 3.762 11.714 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.063 2.227 12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.150 4.649 14.276 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.494 4.455 13.169 1.00 0.00 H new ATOM 211 N ARG A 14 -2.333 1.104 12.970 1.00 0.00 N ATOM 212 CA ARG A 14 -1.596 -0.006 12.370 1.00 0.00 C ATOM 213 C ARG A 14 -2.544 -1.119 11.923 1.00 0.00 C ATOM 214 O ARG A 14 -3.488 -1.471 12.636 1.00 0.00 O ATOM 215 CB ARG A 14 -0.565 -0.565 13.361 1.00 0.00 C ATOM 216 CG ARG A 14 0.881 -0.357 12.930 1.00 0.00 C ATOM 217 CD ARG A 14 1.667 0.427 13.969 1.00 0.00 C ATOM 218 NE ARG A 14 2.510 -0.440 14.795 1.00 0.00 N ATOM 219 CZ ARG A 14 3.687 -0.941 14.399 1.00 0.00 C ATOM 220 NH1 ARG A 14 4.161 -0.671 13.185 1.00 0.00 N ATOM 221 NH2 ARG A 14 4.390 -1.713 15.223 1.00 0.00 N ATOM 0 H ARG A 14 -2.692 0.913 13.906 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.075 0.376 11.492 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.716 -0.093 14.332 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.744 -1.632 13.494 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.356 -1.325 12.768 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.905 0.174 11.978 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.291 1.167 13.468 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.975 0.974 14.609 1.00 0.00 H new ATOM 0 HE ARG A 14 2.180 -0.677 15.731 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.627 -0.079 12.549 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.058 -1.056 12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.032 -1.923 16.155 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.287 -2.095 14.923 1.00 0.00 H new ATOM 235 N ARG A 15 -2.282 -1.670 10.739 1.00 0.00 N ATOM 236 CA ARG A 15 -3.099 -2.747 10.189 1.00 0.00 C ATOM 237 C ARG A 15 -2.219 -3.867 9.636 1.00 0.00 C ATOM 238 O ARG A 15 -1.249 -3.607 8.923 1.00 0.00 O ATOM 239 CB ARG A 15 -4.017 -2.209 9.088 1.00 0.00 C ATOM 240 CG ARG A 15 -5.259 -1.509 9.613 1.00 0.00 C ATOM 241 CD ARG A 15 -6.373 -2.499 9.922 1.00 0.00 C ATOM 242 NE ARG A 15 -6.438 -2.829 11.348 1.00 0.00 N ATOM 243 CZ ARG A 15 -7.484 -3.421 11.934 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.560 -3.757 11.222 1.00 0.00 N ATOM 245 NH2 ARG A 15 -7.455 -3.682 13.237 1.00 0.00 N ATOM 0 H ARG A 15 -1.506 -1.386 10.141 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.712 -3.154 10.993 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.454 -1.513 8.467 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.321 -3.035 8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.008 -0.950 10.514 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.608 -0.786 8.876 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.328 -2.081 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.217 -3.411 9.346 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.635 -2.592 11.930 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.590 -3.563 10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.353 -4.208 11.678 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.635 -3.431 13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.253 -4.134 13.685 1.00 0.00 H new ATOM 259 N ILE A 16 -2.561 -5.110 9.972 1.00 0.00 N ATOM 260 CA ILE A 16 -1.799 -6.269 9.511 1.00 0.00 C ATOM 261 C ILE A 16 -2.633 -7.135 8.567 1.00 0.00 C ATOM 262 O ILE A 16 -3.663 -7.684 8.965 1.00 0.00 O ATOM 263 CB ILE A 16 -1.314 -7.135 10.696 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.662 -6.261 11.775 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.339 -8.201 10.215 1.00 0.00 C ATOM 266 CD1 ILE A 16 -1.588 -5.933 12.928 1.00 0.00 C ATOM 0 H ILE A 16 -3.361 -5.340 10.562 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.931 -5.884 8.976 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.181 -7.631 11.133 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.220 -6.772 12.162 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.318 -5.332 11.320 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.008 -8.801 11.063 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.833 -8.844 9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.523 -7.722 9.751 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.061 -5.313 13.653 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.458 -5.394 12.554 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.912 -6.856 13.408 1.00 0.00 H new ATOM 278 N ILE A 17 -2.181 -7.255 7.316 1.00 0.00 N ATOM 279 CA ILE A 17 -2.889 -8.056 6.317 1.00 0.00 C ATOM 280 C ILE A 17 -1.942 -9.034 5.622 1.00 0.00 C ATOM 281 O ILE A 17 -0.862 -8.649 5.164 1.00 0.00 O ATOM 282 CB ILE A 17 -3.572 -7.168 5.251 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.418 -6.079 5.918 1.00 0.00 C ATOM 284 CG2 ILE A 17 -4.435 -8.017 4.323 1.00 0.00 C ATOM 285 CD1 ILE A 17 -4.549 -4.819 5.089 1.00 0.00 C ATOM 0 H ILE A 17 -1.331 -6.809 6.973 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.657 -8.615 6.852 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.795 -6.686 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.413 -6.476 6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.975 -5.826 6.881 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.908 -7.376 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.811 -8.756 3.821 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.203 -8.526 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.161 -4.093 5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.560 -4.397 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.020 -5.058 4.136 1.00 0.00 H new ATOM 297 N ALA A 18 -2.359 -10.298 5.540 1.00 0.00 N ATOM 298 CA ALA A 18 -1.556 -11.337 4.897 1.00 0.00 C ATOM 299 C ALA A 18 -2.089 -11.661 3.502 1.00 0.00 C ATOM 300 O ALA A 18 -3.298 -11.627 3.265 1.00 0.00 O ATOM 301 CB ALA A 18 -1.530 -12.595 5.755 1.00 0.00 C ATOM 0 H ALA A 18 -3.250 -10.627 5.912 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.539 -10.959 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.928 -13.359 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.097 -12.363 6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.547 -12.965 5.889 1.00 0.00 H new ATOM 307 N PHE A 19 -1.175 -11.979 2.582 1.00 0.00 N ATOM 308 CA PHE A 19 -1.547 -12.316 1.209 1.00 0.00 C ATOM 309 C PHE A 19 -0.723 -13.494 0.691 1.00 0.00 C ATOM 310 O PHE A 19 0.501 -13.399 0.572 1.00 0.00 O ATOM 311 CB PHE A 19 -1.347 -11.106 0.292 1.00 0.00 C ATOM 312 CG PHE A 19 -2.434 -10.073 0.403 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.684 -10.299 -0.153 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.204 -8.878 1.063 1.00 0.00 C ATOM 315 CE1 PHE A 19 -4.683 -9.350 -0.053 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.198 -7.925 1.166 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.440 -8.162 0.608 1.00 0.00 C ATOM 0 H PHE A 19 -0.172 -12.010 2.765 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.599 -12.600 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.390 -10.639 0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.290 -11.450 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.879 -11.227 -0.670 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.236 -8.689 1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.652 -9.537 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.005 -6.996 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.220 -7.419 0.689 1.00 0.00 H new ATOM 327 N SER A 20 -1.400 -14.602 0.382 1.00 0.00 N ATOM 328 CA SER A 20 -0.730 -15.797 -0.128 1.00 0.00 C ATOM 329 C SER A 20 -0.404 -15.651 -1.613 1.00 0.00 C ATOM 330 O SER A 20 -1.235 -15.188 -2.399 1.00 0.00 O ATOM 331 CB SER A 20 -1.603 -17.038 0.105 1.00 0.00 C ATOM 332 OG SER A 20 -2.691 -17.088 -0.804 1.00 0.00 O ATOM 0 H SER A 20 -2.411 -14.695 0.476 1.00 0.00 H new ATOM 0 HA SER A 20 0.207 -15.918 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.996 -17.937 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.982 -17.031 1.127 1.00 0.00 H new ATOM 0 HG SER A 20 -3.226 -17.891 -0.630 1.00 0.00 H new ATOM 338 N ARG A 21 0.811 -16.046 -1.991 1.00 0.00 N ATOM 339 CA ARG A 21 1.254 -15.959 -3.382 1.00 0.00 C ATOM 340 C ARG A 21 0.602 -17.054 -4.231 1.00 0.00 C ATOM 341 O ARG A 21 0.244 -18.113 -3.714 1.00 0.00 O ATOM 342 CB ARG A 21 2.780 -16.067 -3.461 1.00 0.00 C ATOM 343 CG ARG A 21 3.506 -14.914 -2.783 1.00 0.00 C ATOM 344 CD ARG A 21 5.012 -15.124 -2.780 1.00 0.00 C ATOM 345 NE ARG A 21 5.618 -14.741 -1.503 1.00 0.00 N ATOM 346 CZ ARG A 21 6.924 -14.832 -1.238 1.00 0.00 C ATOM 347 NH1 ARG A 21 7.765 -15.313 -2.148 1.00 0.00 N ATOM 348 NH2 ARG A 21 7.389 -14.445 -0.054 1.00 0.00 N ATOM 0 H ARG A 21 1.507 -16.430 -1.352 1.00 0.00 H new ATOM 0 HA ARG A 21 0.947 -14.991 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.094 -17.004 -3.002 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.080 -16.109 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.269 -13.982 -3.297 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.150 -14.812 -1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.232 -16.172 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.461 -14.540 -3.584 1.00 0.00 H new ATOM 0 HE ARG A 21 5.005 -14.383 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.414 -15.616 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.761 -15.379 -1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.749 -14.079 0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.386 -14.514 0.150 1.00 0.00 H new ATOM 362 N PRO A 22 0.435 -16.811 -5.548 1.00 0.00 N ATOM 363 CA PRO A 22 0.846 -15.563 -6.207 1.00 0.00 C ATOM 364 C PRO A 22 -0.064 -14.389 -5.851 1.00 0.00 C ATOM 365 O PRO A 22 -1.287 -14.483 -5.959 1.00 0.00 O ATOM 366 CB PRO A 22 0.732 -15.881 -7.708 1.00 0.00 C ATOM 367 CG PRO A 22 0.480 -17.351 -7.796 1.00 0.00 C ATOM 368 CD PRO A 22 -0.170 -17.743 -6.503 1.00 0.00 C ATOM 0 HA PRO A 22 1.846 -15.261 -5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.080 -15.317 -8.166 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.646 -15.609 -8.236 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.165 -17.585 -8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.411 -17.897 -7.945 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.254 -17.635 -6.545 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.037 -18.781 -6.243 1.00 0.00 H new ATOM 376 N VAL A 23 0.547 -13.283 -5.428 1.00 0.00 N ATOM 377 CA VAL A 23 -0.203 -12.087 -5.058 1.00 0.00 C ATOM 378 C VAL A 23 -0.194 -11.056 -6.191 1.00 0.00 C ATOM 379 O VAL A 23 0.865 -10.572 -6.602 1.00 0.00 O ATOM 380 CB VAL A 23 0.349 -11.458 -3.755 1.00 0.00 C ATOM 381 CG1 VAL A 23 1.782 -10.976 -3.937 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.548 -10.322 -3.288 1.00 0.00 C ATOM 0 H VAL A 23 1.559 -13.192 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.234 -12.393 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 23 0.355 -12.231 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.140 -10.540 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.417 -11.818 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.816 -10.224 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.144 -9.893 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.593 -9.553 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.551 -10.705 -3.098 1.00 0.00 H new ATOM 392 N LYS A 24 -1.385 -10.732 -6.696 1.00 0.00 N ATOM 393 CA LYS A 24 -1.525 -9.766 -7.784 1.00 0.00 C ATOM 394 C LYS A 24 -1.726 -8.357 -7.240 1.00 0.00 C ATOM 395 O LYS A 24 -2.555 -8.140 -6.355 1.00 0.00 O ATOM 396 CB LYS A 24 -2.708 -10.144 -8.683 1.00 0.00 C ATOM 397 CG LYS A 24 -2.479 -11.398 -9.512 1.00 0.00 C ATOM 398 CD LYS A 24 -1.485 -11.150 -10.638 1.00 0.00 C ATOM 399 CE LYS A 24 -2.189 -10.867 -11.957 1.00 0.00 C ATOM 400 NZ LYS A 24 -1.356 -11.250 -13.131 1.00 0.00 N ATOM 0 H LYS A 24 -2.267 -11.125 -6.368 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.606 -9.786 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.592 -10.288 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.922 -9.312 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.110 -12.198 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.427 -11.737 -9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.844 -10.307 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.838 -12.020 -10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.132 -11.413 -11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.433 -9.806 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.874 -11.040 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.467 -10.711 -13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.144 -12.267 -13.089 1.00 0.00 H new ATOM 414 N TYR A 25 -0.972 -7.399 -7.784 1.00 0.00 N ATOM 415 CA TYR A 25 -1.079 -6.001 -7.357 1.00 0.00 C ATOM 416 C TYR A 25 -2.526 -5.513 -7.460 1.00 0.00 C ATOM 417 O TYR A 25 -3.012 -4.812 -6.570 1.00 0.00 O ATOM 418 CB TYR A 25 -0.169 -5.105 -8.207 1.00 0.00 C ATOM 419 CG TYR A 25 -0.178 -3.646 -7.790 1.00 0.00 C ATOM 420 CD1 TYR A 25 -1.191 -2.789 -8.206 1.00 0.00 C ATOM 421 CD2 TYR A 25 0.828 -3.128 -6.983 1.00 0.00 C ATOM 422 CE1 TYR A 25 -1.202 -1.460 -7.826 1.00 0.00 C ATOM 423 CE2 TYR A 25 0.823 -1.801 -6.600 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.193 -0.972 -7.025 1.00 0.00 C ATOM 425 OH TYR A 25 -0.206 0.350 -6.641 1.00 0.00 O ATOM 0 H TYR A 25 -0.283 -7.564 -8.518 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.761 -5.943 -6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.852 -5.483 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.477 -5.176 -9.250 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.982 -3.168 -8.836 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.627 -3.774 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.997 -0.808 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.611 -1.415 -5.971 1.00 0.00 H new ATOM 0 HH TYR A 25 0.665 0.756 -6.836 1.00 0.00 H new ATOM 435 N GLU A 26 -3.206 -5.888 -8.547 1.00 0.00 N ATOM 436 CA GLU A 26 -4.596 -5.487 -8.762 1.00 0.00 C ATOM 437 C GLU A 26 -5.491 -5.980 -7.627 1.00 0.00 C ATOM 438 O GLU A 26 -6.319 -5.230 -7.113 1.00 0.00 O ATOM 439 CB GLU A 26 -5.111 -6.032 -10.100 1.00 0.00 C ATOM 440 CG GLU A 26 -4.603 -5.266 -11.313 1.00 0.00 C ATOM 441 CD GLU A 26 -5.048 -5.884 -12.627 1.00 0.00 C ATOM 442 OE1 GLU A 26 -4.765 -7.082 -12.846 1.00 0.00 O ATOM 443 OE2 GLU A 26 -5.675 -5.170 -13.436 1.00 0.00 O ATOM 0 H GLU A 26 -2.816 -6.468 -9.290 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.629 -4.398 -8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.817 -7.077 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.201 -6.007 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.958 -4.237 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.514 -5.229 -11.284 1.00 0.00 H new ATOM 450 N ASP A 27 -5.317 -7.244 -7.237 1.00 0.00 N ATOM 451 CA ASP A 27 -6.113 -7.826 -6.160 1.00 0.00 C ATOM 452 C ASP A 27 -5.812 -7.148 -4.825 1.00 0.00 C ATOM 453 O ASP A 27 -6.729 -6.818 -4.071 1.00 0.00 O ATOM 454 CB ASP A 27 -5.849 -9.329 -6.047 1.00 0.00 C ATOM 455 CG ASP A 27 -6.874 -10.156 -6.801 1.00 0.00 C ATOM 456 OD1 ASP A 27 -7.907 -10.515 -6.199 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.641 -10.444 -7.993 1.00 0.00 O ATOM 0 H ASP A 27 -4.635 -7.880 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.164 -7.666 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.854 -9.550 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.855 -9.618 -4.996 1.00 0.00 H new ATOM 462 N VAL A 28 -4.528 -6.933 -4.540 1.00 0.00 N ATOM 463 CA VAL A 28 -4.122 -6.289 -3.293 1.00 0.00 C ATOM 464 C VAL A 28 -4.658 -4.862 -3.217 1.00 0.00 C ATOM 465 O VAL A 28 -5.232 -4.464 -2.203 1.00 0.00 O ATOM 466 CB VAL A 28 -2.587 -6.258 -3.125 1.00 0.00 C ATOM 467 CG1 VAL A 28 -2.209 -5.700 -1.763 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.995 -7.646 -3.320 1.00 0.00 C ATOM 0 H VAL A 28 -3.755 -7.194 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.546 -6.886 -2.486 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.174 -5.602 -3.891 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.124 -5.686 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.595 -4.685 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.637 -6.328 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.913 -7.601 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.416 -8.328 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.232 -8.005 -4.322 1.00 0.00 H new ATOM 478 N GLU A 29 -4.475 -4.101 -4.297 1.00 0.00 N ATOM 479 CA GLU A 29 -4.949 -2.720 -4.349 1.00 0.00 C ATOM 480 C GLU A 29 -6.465 -2.657 -4.182 1.00 0.00 C ATOM 481 O GLU A 29 -6.981 -1.794 -3.474 1.00 0.00 O ATOM 482 CB GLU A 29 -4.536 -2.058 -5.667 1.00 0.00 C ATOM 483 CG GLU A 29 -4.231 -0.575 -5.528 1.00 0.00 C ATOM 484 CD GLU A 29 -4.032 0.120 -6.863 1.00 0.00 C ATOM 485 OE1 GLU A 29 -4.722 -0.246 -7.840 1.00 0.00 O ATOM 486 OE2 GLU A 29 -3.185 1.034 -6.931 1.00 0.00 O ATOM 0 H GLU A 29 -4.003 -4.418 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.489 -2.176 -3.524 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.656 -2.567 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.334 -2.190 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.047 -0.091 -4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.333 -0.450 -4.923 1.00 0.00 H new ATOM 493 N HIS A 30 -7.173 -3.583 -4.832 1.00 0.00 N ATOM 494 CA HIS A 30 -8.630 -3.634 -4.749 1.00 0.00 C ATOM 495 C HIS A 30 -9.095 -3.768 -3.298 1.00 0.00 C ATOM 496 O HIS A 30 -9.980 -3.035 -2.856 1.00 0.00 O ATOM 497 CB HIS A 30 -9.174 -4.805 -5.573 1.00 0.00 C ATOM 498 CG HIS A 30 -10.378 -4.456 -6.395 1.00 0.00 C ATOM 499 ND1 HIS A 30 -10.739 -5.159 -7.523 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.305 -3.479 -6.250 1.00 0.00 C ATOM 501 CE1 HIS A 30 -11.835 -4.631 -8.037 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.199 -3.610 -7.285 1.00 0.00 N ATOM 0 H HIS A 30 -6.759 -4.306 -5.421 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.017 -2.699 -5.154 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.387 -5.169 -6.234 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.429 -5.624 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.336 -2.736 -5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.347 -4.977 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.012 -3.015 -7.446 1.00 0.00 H new ATOM 511 N LYS A 31 -8.496 -4.706 -2.564 1.00 0.00 N ATOM 512 CA LYS A 31 -8.857 -4.928 -1.166 1.00 0.00 C ATOM 513 C LYS A 31 -8.429 -3.752 -0.290 1.00 0.00 C ATOM 514 O LYS A 31 -9.225 -3.239 0.495 1.00 0.00 O ATOM 515 CB LYS A 31 -8.233 -6.226 -0.641 1.00 0.00 C ATOM 516 CG LYS A 31 -8.653 -6.568 0.784 1.00 0.00 C ATOM 517 CD LYS A 31 -9.227 -7.974 0.884 1.00 0.00 C ATOM 518 CE LYS A 31 -9.637 -8.309 2.312 1.00 0.00 C ATOM 519 NZ LYS A 31 -10.823 -9.211 2.357 1.00 0.00 N ATOM 0 H LYS A 31 -7.762 -5.322 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.942 -5.015 -1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.512 -7.047 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.147 -6.140 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.793 -6.479 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.396 -5.847 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.091 -8.063 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.487 -8.696 0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.802 -8.783 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.862 -7.388 2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.068 -9.413 3.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.628 -8.749 1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.601 -10.101 1.867 1.00 0.00 H new ATOM 533 N VAL A 32 -7.170 -3.329 -0.423 1.00 0.00 N ATOM 534 CA VAL A 32 -6.650 -2.212 0.370 1.00 0.00 C ATOM 535 C VAL A 32 -7.469 -0.940 0.142 1.00 0.00 C ATOM 536 O VAL A 32 -7.811 -0.239 1.096 1.00 0.00 O ATOM 537 CB VAL A 32 -5.166 -1.923 0.061 1.00 0.00 C ATOM 538 CG1 VAL A 32 -4.636 -0.818 0.964 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.327 -3.184 0.209 1.00 0.00 C ATOM 0 H VAL A 32 -6.495 -3.740 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.734 -2.513 1.414 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.094 -1.586 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.588 -0.629 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.214 0.092 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.726 -1.125 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.285 -2.956 -0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.407 -3.556 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.688 -3.944 -0.483 1.00 0.00 H new ATOM 549 N THR A 33 -7.780 -0.652 -1.122 1.00 0.00 N ATOM 550 CA THR A 33 -8.560 0.532 -1.475 1.00 0.00 C ATOM 551 C THR A 33 -9.995 0.426 -0.951 1.00 0.00 C ATOM 552 O THR A 33 -10.563 1.413 -0.497 1.00 0.00 O ATOM 553 CB THR A 33 -8.564 0.747 -2.991 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.249 0.974 -3.466 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.409 1.921 -3.431 1.00 0.00 C ATOM 0 H THR A 33 -7.503 -1.224 -1.919 1.00 0.00 H new ATOM 0 HA THR A 33 -8.087 1.393 -1.002 1.00 0.00 H new ATOM 0 HB THR A 33 -8.990 -0.165 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.791 0.116 -3.583 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.366 2.014 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.442 1.762 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.029 2.834 -2.973 1.00 0.00 H new ATOM 563 N THR A 34 -10.583 -0.769 -1.027 1.00 0.00 N ATOM 564 CA THR A 34 -11.955 -0.971 -0.555 1.00 0.00 C ATOM 565 C THR A 34 -12.038 -0.938 0.974 1.00 0.00 C ATOM 566 O THR A 34 -12.954 -0.336 1.532 1.00 0.00 O ATOM 567 CB THR A 34 -12.528 -2.292 -1.087 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.503 -2.318 -2.505 1.00 0.00 O ATOM 569 CG2 THR A 34 -13.958 -2.546 -0.654 1.00 0.00 C ATOM 0 H THR A 34 -10.137 -1.604 -1.407 1.00 0.00 H new ATOM 0 HA THR A 34 -12.554 -0.147 -0.942 1.00 0.00 H new ATOM 0 HB THR A 34 -11.891 -3.069 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.577 -2.399 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.299 -3.496 -1.065 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.008 -2.583 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.597 -1.742 -1.019 1.00 0.00 H new ATOM 577 N VAL A 35 -11.090 -1.593 1.644 1.00 0.00 N ATOM 578 CA VAL A 35 -11.083 -1.633 3.107 1.00 0.00 C ATOM 579 C VAL A 35 -10.860 -0.239 3.699 1.00 0.00 C ATOM 580 O VAL A 35 -11.616 0.199 4.567 1.00 0.00 O ATOM 581 CB VAL A 35 -10.004 -2.593 3.662 1.00 0.00 C ATOM 582 CG1 VAL A 35 -10.055 -2.637 5.183 1.00 0.00 C ATOM 583 CG2 VAL A 35 -10.169 -3.995 3.084 1.00 0.00 C ATOM 0 H VAL A 35 -10.323 -2.099 1.202 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.064 -2.004 3.404 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.029 -2.212 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.288 -3.318 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.877 -1.638 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.036 -2.986 5.504 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.398 -4.649 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.152 -4.384 3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.075 -3.955 1.999 1.00 0.00 H new ATOM 593 N PHE A 36 -9.813 0.448 3.236 1.00 0.00 N ATOM 594 CA PHE A 36 -9.491 1.787 3.735 1.00 0.00 C ATOM 595 C PHE A 36 -10.299 2.887 3.033 1.00 0.00 C ATOM 596 O PHE A 36 -10.425 3.994 3.563 1.00 0.00 O ATOM 597 CB PHE A 36 -7.995 2.066 3.576 1.00 0.00 C ATOM 598 CG PHE A 36 -7.116 1.166 4.401 1.00 0.00 C ATOM 599 CD1 PHE A 36 -7.232 1.133 5.782 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.170 0.355 3.793 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.422 0.310 6.540 1.00 0.00 C ATOM 602 CE2 PHE A 36 -5.358 -0.470 4.547 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.484 -0.492 5.921 1.00 0.00 C ATOM 0 H PHE A 36 -9.176 0.101 2.519 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.762 1.805 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.725 1.958 2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.797 3.102 3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.964 1.758 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.067 0.368 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.522 0.294 7.615 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.625 -1.097 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.849 -1.136 6.512 1.00 0.00 H new ATOM 613 N GLY A 37 -10.836 2.595 1.843 1.00 0.00 N ATOM 614 CA GLY A 37 -11.607 3.587 1.111 1.00 0.00 C ATOM 615 C GLY A 37 -10.798 4.257 0.008 1.00 0.00 C ATOM 616 O GLY A 37 -9.624 3.938 -0.191 1.00 0.00 O ATOM 0 H GLY A 37 -10.749 1.691 1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.485 3.111 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.968 4.346 1.805 1.00 0.00 H new ATOM 620 N GLN A 38 -11.424 5.185 -0.713 1.00 0.00 N ATOM 621 CA GLN A 38 -10.754 5.900 -1.801 1.00 0.00 C ATOM 622 C GLN A 38 -11.134 7.381 -1.805 1.00 0.00 C ATOM 623 O GLN A 38 -12.186 7.759 -1.289 1.00 0.00 O ATOM 624 CB GLN A 38 -11.097 5.270 -3.159 1.00 0.00 C ATOM 625 CG GLN A 38 -12.567 4.910 -3.327 1.00 0.00 C ATOM 626 CD GLN A 38 -12.986 4.826 -4.782 1.00 0.00 C ATOM 627 OE1 GLN A 38 -12.951 5.822 -5.508 1.00 0.00 O ATOM 628 NE2 GLN A 38 -13.386 3.639 -5.224 1.00 0.00 N ATOM 0 H GLN A 38 -12.395 5.461 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.680 5.819 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.811 5.963 -3.951 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.497 4.370 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.760 3.953 -2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.180 5.655 -2.819 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.401 2.838 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.678 3.528 -6.195 1.00 0.00 H new ATOM 637 N PRO A 39 -10.275 8.243 -2.389 1.00 0.00 N ATOM 638 CA PRO A 39 -9.016 7.830 -3.011 1.00 0.00 C ATOM 639 C PRO A 39 -7.861 7.734 -2.011 1.00 0.00 C ATOM 640 O PRO A 39 -7.691 8.607 -1.157 1.00 0.00 O ATOM 641 CB PRO A 39 -8.765 8.953 -4.015 1.00 0.00 C ATOM 642 CG PRO A 39 -9.341 10.170 -3.371 1.00 0.00 C ATOM 643 CD PRO A 39 -10.475 9.701 -2.487 1.00 0.00 C ATOM 0 HA PRO A 39 -9.077 6.834 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.700 9.076 -4.214 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.246 8.745 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.585 10.692 -2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.702 10.871 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.438 10.175 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.445 9.942 -2.922 1.00 0.00 H new ATOM 651 N LEU A 40 -7.066 6.671 -2.132 1.00 0.00 N ATOM 652 CA LEU A 40 -5.922 6.460 -1.251 1.00 0.00 C ATOM 653 C LEU A 40 -4.715 5.968 -2.049 1.00 0.00 C ATOM 654 O LEU A 40 -4.825 5.022 -2.831 1.00 0.00 O ATOM 655 CB LEU A 40 -6.267 5.448 -0.151 1.00 0.00 C ATOM 656 CG LEU A 40 -7.134 5.993 0.989 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.632 4.857 1.870 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.358 7.008 1.816 1.00 0.00 C ATOM 0 H LEU A 40 -7.195 5.942 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.672 7.413 -0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.783 4.603 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.338 5.064 0.272 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.997 6.495 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.246 5.263 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.227 4.167 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.780 4.327 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.991 7.383 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.475 6.532 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.051 7.838 1.179 1.00 0.00 H new ATOM 670 N ASP A 41 -3.566 6.617 -1.847 1.00 0.00 N ATOM 671 CA ASP A 41 -2.340 6.243 -2.551 1.00 0.00 C ATOM 672 C ASP A 41 -1.398 5.468 -1.631 1.00 0.00 C ATOM 673 O ASP A 41 -1.240 5.815 -0.458 1.00 0.00 O ATOM 674 CB ASP A 41 -1.626 7.488 -3.094 1.00 0.00 C ATOM 675 CG ASP A 41 -2.053 7.853 -4.506 1.00 0.00 C ATOM 676 OD1 ASP A 41 -2.204 6.935 -5.342 1.00 0.00 O ATOM 677 OD2 ASP A 41 -2.232 9.058 -4.776 1.00 0.00 O ATOM 0 H ASP A 41 -3.460 7.401 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.619 5.602 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.824 8.331 -2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.550 7.317 -3.079 1.00 0.00 H new ATOM 682 N LEU A 42 -0.775 4.421 -2.172 1.00 0.00 N ATOM 683 CA LEU A 42 0.157 3.598 -1.404 1.00 0.00 C ATOM 684 C LEU A 42 1.597 4.056 -1.629 1.00 0.00 C ATOM 685 O LEU A 42 2.150 3.886 -2.718 1.00 0.00 O ATOM 686 CB LEU A 42 0.015 2.122 -1.794 1.00 0.00 C ATOM 687 CG LEU A 42 -1.349 1.496 -1.496 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.750 0.535 -2.606 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.329 0.784 -0.150 1.00 0.00 C ATOM 0 H LEU A 42 -0.899 4.123 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.085 3.712 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.216 2.024 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.781 1.550 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.090 2.294 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.723 0.100 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.808 1.075 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.007 -0.259 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.308 0.345 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.575 -0.003 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.090 1.500 0.637 1.00 0.00 H new ATOM 701 N HIS A 43 2.199 4.641 -0.592 1.00 0.00 N ATOM 702 CA HIS A 43 3.573 5.125 -0.675 1.00 0.00 C ATOM 703 C HIS A 43 4.502 4.281 0.192 1.00 0.00 C ATOM 704 O HIS A 43 4.257 4.097 1.387 1.00 0.00 O ATOM 705 CB HIS A 43 3.644 6.591 -0.247 1.00 0.00 C ATOM 706 CG HIS A 43 4.793 7.337 -0.852 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.830 7.713 -2.175 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.948 7.782 -0.304 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.957 8.357 -2.418 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.655 8.415 -1.299 1.00 0.00 N ATOM 0 H HIS A 43 1.754 4.790 0.314 1.00 0.00 H new ATOM 0 HA HIS A 43 3.901 5.040 -1.711 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.714 7.087 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.721 6.640 0.839 1.00 0.00 H new ATOM 0 HD1 HIS A 43 4.100 7.524 -2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.257 7.662 0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 43 6.257 8.767 -3.371 1.00 0.00 H new ATOM 719 N TYR A 44 5.574 3.777 -0.415 1.00 0.00 N ATOM 720 CA TYR A 44 6.545 2.958 0.299 1.00 0.00 C ATOM 721 C TYR A 44 7.635 3.829 0.918 1.00 0.00 C ATOM 722 O TYR A 44 8.270 4.629 0.228 1.00 0.00 O ATOM 723 CB TYR A 44 7.170 1.930 -0.647 1.00 0.00 C ATOM 724 CG TYR A 44 7.317 0.555 -0.037 1.00 0.00 C ATOM 725 CD1 TYR A 44 8.365 0.267 0.827 1.00 0.00 C ATOM 726 CD2 TYR A 44 6.408 -0.454 -0.326 1.00 0.00 C ATOM 727 CE1 TYR A 44 8.504 -0.989 1.388 1.00 0.00 C ATOM 728 CE2 TYR A 44 6.537 -1.713 0.231 1.00 0.00 C ATOM 729 CZ TYR A 44 7.588 -1.974 1.085 1.00 0.00 C ATOM 730 OH TYR A 44 7.724 -3.227 1.642 1.00 0.00 O ATOM 0 H TYR A 44 5.791 3.923 -1.401 1.00 0.00 H new ATOM 0 HA TYR A 44 6.025 2.432 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.557 1.856 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.152 2.286 -0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.084 1.037 1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.586 -0.252 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.324 -1.197 2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.820 -2.486 -0.001 1.00 0.00 H new ATOM 0 HH TYR A 44 8.154 -3.150 2.519 1.00 0.00 H new ATOM 740 N MET A 45 7.846 3.669 2.222 1.00 0.00 N ATOM 741 CA MET A 45 8.857 4.441 2.937 1.00 0.00 C ATOM 742 C MET A 45 9.731 3.524 3.788 1.00 0.00 C ATOM 743 O MET A 45 9.235 2.851 4.696 1.00 0.00 O ATOM 744 CB MET A 45 8.190 5.500 3.816 1.00 0.00 C ATOM 745 CG MET A 45 8.975 6.799 3.912 1.00 0.00 C ATOM 746 SD MET A 45 10.457 6.644 4.927 1.00 0.00 S ATOM 747 CE MET A 45 10.891 8.366 5.155 1.00 0.00 C ATOM 0 H MET A 45 7.329 3.011 2.805 1.00 0.00 H new ATOM 0 HA MET A 45 9.491 4.940 2.204 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.197 5.714 3.421 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.053 5.094 4.818 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.258 7.122 2.910 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.334 7.576 4.329 1.00 0.00 H new ATOM 0 HE1 MET A 45 11.900 8.540 4.780 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.188 8.994 4.608 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.850 8.614 6.216 1.00 0.00 H new ATOM 757 N ASN A 46 11.029 3.500 3.493 1.00 0.00 N ATOM 758 CA ASN A 46 11.967 2.664 4.237 1.00 0.00 C ATOM 759 C ASN A 46 12.421 3.368 5.514 1.00 0.00 C ATOM 760 O ASN A 46 12.223 2.860 6.618 1.00 0.00 O ATOM 761 CB ASN A 46 13.179 2.313 3.366 1.00 0.00 C ATOM 762 CG ASN A 46 13.122 0.891 2.834 1.00 0.00 C ATOM 763 OD1 ASN A 46 12.561 -0.001 3.471 1.00 0.00 O ATOM 764 ND2 ASN A 46 13.706 0.669 1.660 1.00 0.00 N ATOM 0 H ASN A 46 11.454 4.049 2.746 1.00 0.00 H new ATOM 0 HA ASN A 46 11.456 1.742 4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.234 3.009 2.529 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.091 2.443 3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.699 -0.268 1.256 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.160 1.435 1.163 1.00 0.00 H new ATOM 771 N ASN A 47 13.023 4.546 5.344 1.00 0.00 N ATOM 772 CA ASN A 47 13.507 5.347 6.471 1.00 0.00 C ATOM 773 C ASN A 47 14.044 6.691 5.982 1.00 0.00 C ATOM 774 O ASN A 47 13.645 7.747 6.475 1.00 0.00 O ATOM 775 CB ASN A 47 14.600 4.595 7.242 1.00 0.00 C ATOM 776 CG ASN A 47 14.144 4.146 8.622 1.00 0.00 C ATOM 777 OD1 ASN A 47 12.990 4.346 9.008 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.049 3.530 9.377 1.00 0.00 N ATOM 0 H ASN A 47 13.188 4.969 4.431 1.00 0.00 H new ATOM 0 HA ASN A 47 12.668 5.527 7.143 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.911 3.724 6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.474 5.238 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.798 3.205 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.994 3.383 9.022 1.00 0.00 H new ATOM 785 N GLU A 48 14.951 6.641 5.004 1.00 0.00 N ATOM 786 CA GLU A 48 15.547 7.847 4.435 1.00 0.00 C ATOM 787 C GLU A 48 15.051 8.100 3.007 1.00 0.00 C ATOM 788 O GLU A 48 14.959 9.248 2.574 1.00 0.00 O ATOM 789 CB GLU A 48 17.075 7.738 4.446 1.00 0.00 C ATOM 790 CG GLU A 48 17.684 7.831 5.838 1.00 0.00 C ATOM 791 CD GLU A 48 17.530 9.209 6.454 1.00 0.00 C ATOM 792 OE1 GLU A 48 16.510 9.445 7.134 1.00 0.00 O ATOM 793 OE2 GLU A 48 18.430 10.052 6.255 1.00 0.00 O ATOM 0 H GLU A 48 15.289 5.772 4.589 1.00 0.00 H new ATOM 0 HA GLU A 48 15.240 8.691 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.366 6.790 3.994 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.492 8.529 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.212 7.093 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.743 7.578 5.784 1.00 0.00 H new ATOM 800 N LEU A 49 14.733 7.024 2.275 1.00 0.00 N ATOM 801 CA LEU A 49 14.254 7.146 0.900 1.00 0.00 C ATOM 802 C LEU A 49 12.790 6.720 0.784 1.00 0.00 C ATOM 803 O LEU A 49 12.298 5.926 1.589 1.00 0.00 O ATOM 804 CB LEU A 49 15.114 6.303 -0.043 1.00 0.00 C ATOM 805 CG LEU A 49 16.294 7.041 -0.680 1.00 0.00 C ATOM 806 CD1 LEU A 49 17.542 6.907 0.182 1.00 0.00 C ATOM 807 CD2 LEU A 49 16.553 6.518 -2.086 1.00 0.00 C ATOM 0 H LEU A 49 14.800 6.064 2.614 1.00 0.00 H new ATOM 0 HA LEU A 49 14.331 8.195 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.498 5.445 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.478 5.912 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 49 16.041 8.099 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.369 7.439 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.351 7.333 1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.801 5.853 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.395 7.054 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.784 5.454 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.666 6.672 -2.701 1.00 0.00 H new ATOM 819 N SER A 50 12.107 7.253 -0.230 1.00 0.00 N ATOM 820 CA SER A 50 10.700 6.934 -0.467 1.00 0.00 C ATOM 821 C SER A 50 10.504 6.332 -1.858 1.00 0.00 C ATOM 822 O SER A 50 10.923 6.914 -2.860 1.00 0.00 O ATOM 823 CB SER A 50 9.829 8.186 -0.312 1.00 0.00 C ATOM 824 OG SER A 50 10.469 9.171 0.484 1.00 0.00 O ATOM 0 H SER A 50 12.507 7.909 -0.901 1.00 0.00 H new ATOM 0 HA SER A 50 10.394 6.198 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.607 8.600 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.876 7.913 0.142 1.00 0.00 H new ATOM 0 HG SER A 50 9.888 9.957 0.562 1.00 0.00 H new ATOM 830 N ILE A 51 9.865 5.166 -1.906 1.00 0.00 N ATOM 831 CA ILE A 51 9.608 4.470 -3.166 1.00 0.00 C ATOM 832 C ILE A 51 8.108 4.417 -3.463 1.00 0.00 C ATOM 833 O ILE A 51 7.303 4.104 -2.586 1.00 0.00 O ATOM 834 CB ILE A 51 10.169 3.028 -3.139 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.616 3.016 -2.627 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.085 2.385 -4.520 1.00 0.00 C ATOM 837 CD1 ILE A 51 12.562 3.885 -3.432 1.00 0.00 C ATOM 0 H ILE A 51 9.513 4.680 -1.081 1.00 0.00 H new ATOM 0 HA ILE A 51 10.114 5.032 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 51 9.557 2.443 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.626 3.350 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.985 1.990 -2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.485 1.372 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.044 2.350 -4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.665 2.973 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 51 13.564 3.823 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.584 3.539 -4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.219 4.919 -3.403 1.00 0.00 H new ATOM 849 N LEU A 52 7.737 4.721 -4.707 1.00 0.00 N ATOM 850 CA LEU A 52 6.333 4.700 -5.112 1.00 0.00 C ATOM 851 C LEU A 52 5.983 3.376 -5.784 1.00 0.00 C ATOM 852 O LEU A 52 6.644 2.961 -6.737 1.00 0.00 O ATOM 853 CB LEU A 52 6.027 5.864 -6.062 1.00 0.00 C ATOM 854 CG LEU A 52 4.971 6.851 -5.560 1.00 0.00 C ATOM 855 CD1 LEU A 52 4.977 8.121 -6.403 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.589 6.209 -5.570 1.00 0.00 C ATOM 0 H LEU A 52 8.387 4.984 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 52 5.724 4.808 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.951 6.410 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.696 5.456 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 52 5.217 7.121 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.219 8.809 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.957 8.593 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.759 7.870 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.852 6.927 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.335 5.907 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.590 5.333 -4.921 1.00 0.00 H new ATOM 868 N LEU A 53 4.935 2.717 -5.286 1.00 0.00 N ATOM 869 CA LEU A 53 4.499 1.438 -5.844 1.00 0.00 C ATOM 870 C LEU A 53 3.312 1.633 -6.789 1.00 0.00 C ATOM 871 O LEU A 53 2.155 1.539 -6.382 1.00 0.00 O ATOM 872 CB LEU A 53 4.139 0.446 -4.725 1.00 0.00 C ATOM 873 CG LEU A 53 3.163 0.966 -3.662 1.00 0.00 C ATOM 874 CD1 LEU A 53 2.007 -0.007 -3.471 1.00 0.00 C ATOM 875 CD2 LEU A 53 3.887 1.205 -2.344 1.00 0.00 C ATOM 0 H LEU A 53 4.375 3.047 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 53 5.328 1.022 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.709 -0.446 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.059 0.139 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 53 2.755 1.916 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.327 0.381 -2.713 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.471 -0.125 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.395 -0.974 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.179 1.574 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.325 0.270 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.676 1.943 -2.491 1.00 0.00 H new ATOM 887 N LYS A 54 3.612 1.906 -8.059 1.00 0.00 N ATOM 888 CA LYS A 54 2.573 2.113 -9.068 1.00 0.00 C ATOM 889 C LYS A 54 2.452 0.899 -9.993 1.00 0.00 C ATOM 890 O LYS A 54 1.354 0.564 -10.443 1.00 0.00 O ATOM 891 CB LYS A 54 2.868 3.375 -9.885 1.00 0.00 C ATOM 892 CG LYS A 54 2.281 4.643 -9.277 1.00 0.00 C ATOM 893 CD LYS A 54 3.197 5.842 -9.482 1.00 0.00 C ATOM 894 CE LYS A 54 3.068 6.420 -10.885 1.00 0.00 C ATOM 895 NZ LYS A 54 1.811 7.201 -11.062 1.00 0.00 N ATOM 0 H LYS A 54 4.565 1.989 -8.413 1.00 0.00 H new ATOM 0 HA LYS A 54 1.622 2.241 -8.551 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.947 3.493 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.472 3.247 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.309 4.846 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.113 4.491 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.957 6.612 -8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.231 5.544 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.924 7.062 -11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.095 5.609 -11.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.815 7.658 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.993 6.563 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.747 7.928 -10.321 1.00 0.00 H new ATOM 909 N ASN A 55 3.581 0.242 -10.268 1.00 0.00 N ATOM 910 CA ASN A 55 3.598 -0.936 -11.134 1.00 0.00 C ATOM 911 C ASN A 55 3.739 -2.216 -10.313 1.00 0.00 C ATOM 912 O ASN A 55 4.129 -2.176 -9.143 1.00 0.00 O ATOM 913 CB ASN A 55 4.747 -0.838 -12.144 1.00 0.00 C ATOM 914 CG ASN A 55 4.331 -0.166 -13.438 1.00 0.00 C ATOM 915 OD1 ASN A 55 4.067 1.035 -13.467 1.00 0.00 O ATOM 916 ND2 ASN A 55 4.274 -0.938 -14.519 1.00 0.00 N ATOM 0 H ASN A 55 4.496 0.507 -9.902 1.00 0.00 H new ATOM 0 HA ASN A 55 2.650 -0.972 -11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.571 -0.281 -11.698 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.120 -1.839 -12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.003 -0.538 -15.417 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.501 -1.930 -14.450 1.00 0.00 H new ATOM 923 N GLN A 56 3.428 -3.355 -10.938 1.00 0.00 N ATOM 924 CA GLN A 56 3.531 -4.652 -10.269 1.00 0.00 C ATOM 925 C GLN A 56 4.980 -4.952 -9.887 1.00 0.00 C ATOM 926 O GLN A 56 5.245 -5.513 -8.823 1.00 0.00 O ATOM 927 CB GLN A 56 2.992 -5.770 -11.168 1.00 0.00 C ATOM 928 CG GLN A 56 2.272 -6.876 -10.407 1.00 0.00 C ATOM 929 CD GLN A 56 3.143 -8.101 -10.173 1.00 0.00 C ATOM 930 OE1 GLN A 56 4.115 -8.337 -10.891 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.791 -8.892 -9.165 1.00 0.00 N ATOM 0 H GLN A 56 3.104 -3.404 -11.904 1.00 0.00 H new ATOM 0 HA GLN A 56 2.929 -4.607 -9.361 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.307 -5.338 -11.898 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.820 -6.206 -11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.935 -6.488 -9.446 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.381 -7.171 -10.962 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.978 -8.660 -8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.334 -9.731 -8.962 1.00 0.00 H new ATOM 940 N ASP A 57 5.914 -4.570 -10.764 1.00 0.00 N ATOM 941 CA ASP A 57 7.340 -4.791 -10.522 1.00 0.00 C ATOM 942 C ASP A 57 7.804 -4.072 -9.254 1.00 0.00 C ATOM 943 O ASP A 57 8.618 -4.602 -8.498 1.00 0.00 O ATOM 944 CB ASP A 57 8.167 -4.312 -11.722 1.00 0.00 C ATOM 945 CG ASP A 57 8.815 -5.456 -12.481 1.00 0.00 C ATOM 946 OD1 ASP A 57 8.107 -6.434 -12.807 1.00 0.00 O ATOM 947 OD2 ASP A 57 10.031 -5.371 -12.754 1.00 0.00 O ATOM 0 H ASP A 57 5.706 -4.106 -11.648 1.00 0.00 H new ATOM 0 HA ASP A 57 7.492 -5.862 -10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.525 -3.750 -12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.941 -3.627 -11.375 1.00 0.00 H new ATOM 952 N ASP A 58 7.278 -2.866 -9.031 1.00 0.00 N ATOM 953 CA ASP A 58 7.636 -2.070 -7.855 1.00 0.00 C ATOM 954 C ASP A 58 7.272 -2.803 -6.565 1.00 0.00 C ATOM 955 O ASP A 58 8.101 -2.934 -5.663 1.00 0.00 O ATOM 956 CB ASP A 58 6.933 -0.706 -7.895 1.00 0.00 C ATOM 957 CG ASP A 58 7.416 0.170 -9.036 1.00 0.00 C ATOM 958 OD1 ASP A 58 7.175 -0.193 -10.206 1.00 0.00 O ATOM 959 OD2 ASP A 58 8.030 1.220 -8.760 1.00 0.00 O ATOM 0 H ASP A 58 6.602 -2.419 -9.650 1.00 0.00 H new ATOM 0 HA ASP A 58 8.715 -1.915 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.858 -0.859 -7.990 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.099 -0.189 -6.950 1.00 0.00 H new ATOM 964 N LEU A 59 6.033 -3.287 -6.489 1.00 0.00 N ATOM 965 CA LEU A 59 5.566 -4.016 -5.312 1.00 0.00 C ATOM 966 C LEU A 59 6.353 -5.316 -5.126 1.00 0.00 C ATOM 967 O LEU A 59 6.712 -5.675 -4.004 1.00 0.00 O ATOM 968 CB LEU A 59 4.069 -4.317 -5.427 1.00 0.00 C ATOM 969 CG LEU A 59 3.349 -4.550 -4.096 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.451 -3.312 -3.214 1.00 0.00 C ATOM 971 CD2 LEU A 59 1.892 -4.926 -4.336 1.00 0.00 C ATOM 0 H LEU A 59 5.336 -3.187 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 59 5.732 -3.386 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.586 -3.487 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.939 -5.200 -6.052 1.00 0.00 H new ATOM 0 HG LEU A 59 3.833 -5.379 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.934 -3.493 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.500 -3.092 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.992 -2.464 -3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.396 -5.088 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.392 -4.120 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.845 -5.840 -4.928 1.00 0.00 H new ATOM 983 N ASP A 60 6.622 -6.011 -6.234 1.00 0.00 N ATOM 984 CA ASP A 60 7.373 -7.270 -6.198 1.00 0.00 C ATOM 985 C ASP A 60 8.822 -7.037 -5.778 1.00 0.00 C ATOM 986 O ASP A 60 9.404 -7.848 -5.054 1.00 0.00 O ATOM 987 CB ASP A 60 7.348 -7.950 -7.570 1.00 0.00 C ATOM 988 CG ASP A 60 7.239 -9.457 -7.463 1.00 0.00 C ATOM 989 OD1 ASP A 60 6.108 -9.961 -7.301 1.00 0.00 O ATOM 990 OD2 ASP A 60 8.287 -10.135 -7.535 1.00 0.00 O ATOM 0 H ASP A 60 6.331 -5.723 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 60 6.894 -7.916 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.506 -7.567 -8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.254 -7.691 -8.118 1.00 0.00 H new ATOM 995 N LYS A 61 9.396 -5.926 -6.240 1.00 0.00 N ATOM 996 CA LYS A 61 10.780 -5.580 -5.922 1.00 0.00 C ATOM 997 C LYS A 61 10.951 -5.369 -4.420 1.00 0.00 C ATOM 998 O LYS A 61 11.958 -5.777 -3.840 1.00 0.00 O ATOM 999 CB LYS A 61 11.200 -4.310 -6.673 1.00 0.00 C ATOM 1000 CG LYS A 61 11.789 -4.574 -8.051 1.00 0.00 C ATOM 1001 CD LYS A 61 13.252 -4.986 -7.968 1.00 0.00 C ATOM 1002 CE LYS A 61 14.167 -3.782 -7.786 1.00 0.00 C ATOM 1003 NZ LYS A 61 15.389 -3.871 -8.633 1.00 0.00 N ATOM 0 H LYS A 61 8.922 -5.249 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 61 11.416 -6.407 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.332 -3.659 -6.778 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.933 -3.771 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.217 -5.359 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.698 -3.677 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.389 -5.676 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.531 -5.521 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.621 -2.872 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.458 -3.704 -6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.982 -3.031 -8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.925 -4.725 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.114 -3.919 -9.635 1.00 0.00 H new ATOM 1017 N ALA A 62 9.956 -4.738 -3.796 1.00 0.00 N ATOM 1018 CA ALA A 62 9.995 -4.481 -2.359 1.00 0.00 C ATOM 1019 C ALA A 62 9.997 -5.787 -1.567 1.00 0.00 C ATOM 1020 O ALA A 62 10.682 -5.901 -0.549 1.00 0.00 O ATOM 1021 CB ALA A 62 8.819 -3.607 -1.942 1.00 0.00 C ATOM 0 H ALA A 62 9.116 -4.397 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 62 10.921 -3.950 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.863 -3.425 -0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.866 -2.656 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.885 -4.113 -2.186 1.00 0.00 H new ATOM 1027 N ILE A 63 9.232 -6.773 -2.041 1.00 0.00 N ATOM 1028 CA ILE A 63 9.153 -8.074 -1.375 1.00 0.00 C ATOM 1029 C ILE A 63 10.497 -8.803 -1.427 1.00 0.00 C ATOM 1030 O ILE A 63 10.920 -9.403 -0.437 1.00 0.00 O ATOM 1031 CB ILE A 63 8.063 -8.977 -1.998 1.00 0.00 C ATOM 1032 CG1 ILE A 63 6.713 -8.250 -2.031 1.00 0.00 C ATOM 1033 CG2 ILE A 63 7.948 -10.282 -1.219 1.00 0.00 C ATOM 1034 CD1 ILE A 63 5.747 -8.800 -3.060 1.00 0.00 C ATOM 0 H ILE A 63 8.660 -6.695 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 63 8.888 -7.874 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 63 8.351 -9.209 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.253 -8.313 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.885 -7.193 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.177 -10.908 -1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.903 -10.807 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.682 -10.066 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.816 -8.235 -3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.185 -8.712 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.544 -9.849 -2.844 1.00 0.00 H new ATOM 1046 N ASP A 64 11.162 -8.743 -2.584 1.00 0.00 N ATOM 1047 CA ASP A 64 12.460 -9.394 -2.765 1.00 0.00 C ATOM 1048 C ASP A 64 13.454 -8.945 -1.692 1.00 0.00 C ATOM 1049 O ASP A 64 14.230 -9.750 -1.176 1.00 0.00 O ATOM 1050 CB ASP A 64 13.022 -9.085 -4.158 1.00 0.00 C ATOM 1051 CG ASP A 64 12.459 -9.993 -5.238 1.00 0.00 C ATOM 1052 OD1 ASP A 64 11.236 -10.254 -5.221 1.00 0.00 O ATOM 1053 OD2 ASP A 64 13.240 -10.438 -6.103 1.00 0.00 O ATOM 0 H ASP A 64 10.822 -8.250 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 64 12.312 -10.470 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.802 -8.048 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.107 -9.184 -4.136 1.00 0.00 H new ATOM 1058 N ILE A 65 13.416 -7.655 -1.357 1.00 0.00 N ATOM 1059 CA ILE A 65 14.306 -7.099 -0.341 1.00 0.00 C ATOM 1060 C ILE A 65 14.013 -7.704 1.033 1.00 0.00 C ATOM 1061 O ILE A 65 14.930 -7.971 1.811 1.00 0.00 O ATOM 1062 CB ILE A 65 14.184 -5.561 -0.257 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.330 -4.930 -1.648 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.230 -4.997 0.698 1.00 0.00 C ATOM 1065 CD1 ILE A 65 14.095 -3.434 -1.665 1.00 0.00 C ATOM 0 H ILE A 65 12.779 -6.977 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 65 15.324 -7.353 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 65 13.194 -5.315 0.128 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.331 -5.136 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 65 13.626 -5.407 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 65 15.131 -3.913 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.081 -5.420 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.227 -5.255 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 65 14.215 -3.058 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 65 13.085 -3.220 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.816 -2.945 -1.010 1.00 0.00 H new ATOM 1077 N LEU A 66 12.730 -7.921 1.322 1.00 0.00 N ATOM 1078 CA LEU A 66 12.315 -8.501 2.599 1.00 0.00 C ATOM 1079 C LEU A 66 12.841 -9.928 2.744 1.00 0.00 C ATOM 1080 O LEU A 66 13.366 -10.297 3.794 1.00 0.00 O ATOM 1081 CB LEU A 66 10.789 -8.497 2.725 1.00 0.00 C ATOM 1082 CG LEU A 66 10.110 -7.153 2.447 1.00 0.00 C ATOM 1083 CD1 LEU A 66 8.623 -7.350 2.192 1.00 0.00 C ATOM 1084 CD2 LEU A 66 10.336 -6.192 3.606 1.00 0.00 C ATOM 0 H LEU A 66 11.960 -7.704 0.689 1.00 0.00 H new ATOM 0 HA LEU A 66 12.737 -7.889 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.383 -9.239 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.524 -8.817 3.733 1.00 0.00 H new ATOM 0 HG LEU A 66 10.555 -6.719 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.156 -6.385 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.485 -8.001 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.161 -7.805 3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.847 -5.242 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.918 -6.618 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.405 -6.027 3.739 1.00 0.00 H new ATOM 1096 N ASP A 67 12.704 -10.726 1.682 1.00 0.00 N ATOM 1097 CA ASP A 67 13.173 -12.115 1.690 1.00 0.00 C ATOM 1098 C ASP A 67 14.676 -12.193 1.972 1.00 0.00 C ATOM 1099 O ASP A 67 15.148 -13.146 2.593 1.00 0.00 O ATOM 1100 CB ASP A 67 12.857 -12.794 0.353 1.00 0.00 C ATOM 1101 CG ASP A 67 11.602 -13.647 0.413 1.00 0.00 C ATOM 1102 OD1 ASP A 67 10.491 -13.074 0.447 1.00 0.00 O ATOM 1103 OD2 ASP A 67 11.729 -14.890 0.421 1.00 0.00 O ATOM 0 H ASP A 67 12.272 -10.434 0.805 1.00 0.00 H new ATOM 0 HA ASP A 67 12.648 -12.638 2.490 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.738 -12.032 -0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.701 -13.417 0.058 1.00 0.00 H new ATOM 1108 N ARG A 68 15.423 -11.182 1.516 1.00 0.00 N ATOM 1109 CA ARG A 68 16.873 -11.132 1.725 1.00 0.00 C ATOM 1110 C ARG A 68 17.211 -10.975 3.209 1.00 0.00 C ATOM 1111 O ARG A 68 18.244 -11.463 3.671 1.00 0.00 O ATOM 1112 CB ARG A 68 17.479 -9.971 0.933 1.00 0.00 C ATOM 1113 CG ARG A 68 17.943 -10.355 -0.463 1.00 0.00 C ATOM 1114 CD ARG A 68 17.532 -9.312 -1.491 1.00 0.00 C ATOM 1115 NE ARG A 68 18.273 -9.453 -2.743 1.00 0.00 N ATOM 1116 CZ ARG A 68 19.514 -8.994 -2.939 1.00 0.00 C ATOM 1117 NH1 ARG A 68 20.170 -8.368 -1.962 1.00 0.00 N ATOM 1118 NH2 ARG A 68 20.102 -9.166 -4.119 1.00 0.00 N ATOM 0 H ARG A 68 15.047 -10.387 1.000 1.00 0.00 H new ATOM 0 HA ARG A 68 17.296 -12.073 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.740 -9.173 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.325 -9.567 1.489 1.00 0.00 H new ATOM 0 HG2 ARG A 68 19.027 -10.467 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.521 -11.322 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.464 -9.401 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.698 -8.315 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 68 17.814 -9.933 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 68 19.726 -8.235 -1.053 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.116 -8.022 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.607 -9.646 -4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.048 -8.818 -4.273 1.00 0.00 H new ATOM 1132 N SER A 69 16.341 -10.285 3.948 1.00 0.00 N ATOM 1133 CA SER A 69 16.551 -10.059 5.374 1.00 0.00 C ATOM 1134 C SER A 69 15.652 -10.963 6.216 1.00 0.00 C ATOM 1135 O SER A 69 14.430 -10.797 6.232 1.00 0.00 O ATOM 1136 CB SER A 69 16.282 -8.593 5.715 1.00 0.00 C ATOM 1137 OG SER A 69 16.670 -8.297 7.048 1.00 0.00 O ATOM 0 H SER A 69 15.484 -9.873 3.579 1.00 0.00 H new ATOM 0 HA SER A 69 17.588 -10.301 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.827 -7.950 5.024 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.222 -8.375 5.585 1.00 0.00 H new ATOM 0 HG SER A 69 16.489 -7.353 7.240 1.00 0.00 H new ATOM 1143 N SER A 70 16.265 -11.913 6.924 1.00 0.00 N ATOM 1144 CA SER A 70 15.523 -12.842 7.783 1.00 0.00 C ATOM 1145 C SER A 70 14.740 -12.097 8.870 1.00 0.00 C ATOM 1146 O SER A 70 13.661 -12.536 9.271 1.00 0.00 O ATOM 1147 CB SER A 70 16.472 -13.852 8.439 1.00 0.00 C ATOM 1148 OG SER A 70 17.588 -14.136 7.612 1.00 0.00 O ATOM 0 H SER A 70 17.274 -12.061 6.921 1.00 0.00 H new ATOM 0 HA SER A 70 14.815 -13.373 7.147 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.818 -13.459 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.932 -14.775 8.651 1.00 0.00 H new ATOM 0 HG SER A 70 18.172 -14.781 8.062 1.00 0.00 H new ATOM 1154 N SER A 71 15.295 -10.979 9.347 1.00 0.00 N ATOM 1155 CA SER A 71 14.652 -10.181 10.394 1.00 0.00 C ATOM 1156 C SER A 71 13.437 -9.421 9.852 1.00 0.00 C ATOM 1157 O SER A 71 12.295 -9.751 10.178 1.00 0.00 O ATOM 1158 CB SER A 71 15.660 -9.205 11.016 1.00 0.00 C ATOM 1159 OG SER A 71 16.272 -8.397 10.024 1.00 0.00 O ATOM 0 H SER A 71 16.188 -10.606 9.025 1.00 0.00 H new ATOM 0 HA SER A 71 14.300 -10.865 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.154 -8.571 11.744 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.424 -9.763 11.556 1.00 0.00 H new ATOM 0 HG SER A 71 16.908 -7.784 10.448 1.00 0.00 H new ATOM 1165 N MET A 72 13.689 -8.400 9.030 1.00 0.00 N ATOM 1166 CA MET A 72 12.617 -7.594 8.449 1.00 0.00 C ATOM 1167 C MET A 72 11.896 -8.348 7.330 1.00 0.00 C ATOM 1168 O MET A 72 12.431 -8.512 6.232 1.00 0.00 O ATOM 1169 CB MET A 72 13.174 -6.271 7.913 1.00 0.00 C ATOM 1170 CG MET A 72 12.988 -5.103 8.866 1.00 0.00 C ATOM 1171 SD MET A 72 14.542 -4.548 9.593 1.00 0.00 S ATOM 1172 CE MET A 72 14.356 -2.771 9.470 1.00 0.00 C ATOM 0 H MET A 72 14.628 -8.113 8.752 1.00 0.00 H new ATOM 0 HA MET A 72 11.895 -7.385 9.238 1.00 0.00 H new ATOM 0 HB2 MET A 72 14.237 -6.392 7.703 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.687 -6.038 6.966 1.00 0.00 H new ATOM 0 HG2 MET A 72 12.524 -4.274 8.332 1.00 0.00 H new ATOM 0 HG3 MET A 72 12.302 -5.394 9.662 1.00 0.00 H new ATOM 0 HE1 MET A 72 15.240 -2.283 9.880 1.00 0.00 H new ATOM 0 HE2 MET A 72 14.239 -2.489 8.424 1.00 0.00 H new ATOM 0 HE3 MET A 72 13.476 -2.458 10.031 1.00 0.00 H new ATOM 1182 N LYS A 73 10.677 -8.802 7.625 1.00 0.00 N ATOM 1183 CA LYS A 73 9.866 -9.542 6.654 1.00 0.00 C ATOM 1184 C LYS A 73 8.602 -8.763 6.268 1.00 0.00 C ATOM 1185 O LYS A 73 8.160 -8.820 5.119 1.00 0.00 O ATOM 1186 CB LYS A 73 9.480 -10.915 7.215 1.00 0.00 C ATOM 1187 CG LYS A 73 8.782 -10.855 8.566 1.00 0.00 C ATOM 1188 CD LYS A 73 8.149 -12.187 8.929 1.00 0.00 C ATOM 1189 CE LYS A 73 7.485 -12.132 10.296 1.00 0.00 C ATOM 1190 NZ LYS A 73 7.461 -13.464 10.965 1.00 0.00 N ATOM 0 H LYS A 73 10.228 -8.670 8.531 1.00 0.00 H new ATOM 0 HA LYS A 73 10.470 -9.677 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.827 -11.418 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.379 -11.524 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.501 -10.572 9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.015 -10.081 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.410 -12.458 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.911 -12.967 8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.016 -11.420 10.927 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.465 -11.763 10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.999 -13.378 11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.932 -14.139 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.435 -13.806 11.093 1.00 0.00 H new ATOM 1204 N SER A 74 8.020 -8.044 7.235 1.00 0.00 N ATOM 1205 CA SER A 74 6.806 -7.264 6.996 1.00 0.00 C ATOM 1206 C SER A 74 7.083 -6.054 6.099 1.00 0.00 C ATOM 1207 O SER A 74 8.238 -5.736 5.810 1.00 0.00 O ATOM 1208 CB SER A 74 6.193 -6.806 8.324 1.00 0.00 C ATOM 1209 OG SER A 74 4.796 -7.043 8.351 1.00 0.00 O ATOM 0 H SER A 74 8.373 -7.988 8.190 1.00 0.00 H new ATOM 0 HA SER A 74 6.096 -7.910 6.480 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.670 -7.334 9.149 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.387 -5.744 8.470 1.00 0.00 H new ATOM 0 HG SER A 74 4.492 -7.309 7.458 1.00 0.00 H new ATOM 1215 N LEU A 75 6.012 -5.390 5.655 1.00 0.00 N ATOM 1216 CA LEU A 75 6.135 -4.224 4.780 1.00 0.00 C ATOM 1217 C LEU A 75 5.635 -2.956 5.468 1.00 0.00 C ATOM 1218 O LEU A 75 4.559 -2.947 6.068 1.00 0.00 O ATOM 1219 CB LEU A 75 5.352 -4.451 3.484 1.00 0.00 C ATOM 1220 CG LEU A 75 5.898 -5.556 2.578 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.506 -6.928 3.106 1.00 0.00 C ATOM 1222 CD2 LEU A 75 5.399 -5.372 1.152 1.00 0.00 C ATOM 0 H LEU A 75 5.051 -5.641 5.888 1.00 0.00 H new ATOM 0 HA LEU A 75 7.192 -4.093 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.320 -4.690 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.334 -3.518 2.921 1.00 0.00 H new ATOM 0 HG LEU A 75 6.986 -5.488 2.575 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.905 -7.699 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.913 -7.062 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.419 -7.007 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.797 -6.167 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.310 -5.411 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.732 -4.406 0.772 1.00 0.00 H new ATOM 1234 N ARG A 76 6.422 -1.883 5.366 1.00 0.00 N ATOM 1235 CA ARG A 76 6.060 -0.599 5.967 1.00 0.00 C ATOM 1236 C ARG A 76 5.538 0.365 4.899 1.00 0.00 C ATOM 1237 O ARG A 76 6.279 1.219 4.403 1.00 0.00 O ATOM 1238 CB ARG A 76 7.266 0.019 6.685 1.00 0.00 C ATOM 1239 CG ARG A 76 7.761 -0.786 7.878 1.00 0.00 C ATOM 1240 CD ARG A 76 8.020 0.098 9.091 1.00 0.00 C ATOM 1241 NE ARG A 76 8.944 1.202 8.796 1.00 0.00 N ATOM 1242 CZ ARG A 76 9.553 1.934 9.733 1.00 0.00 C ATOM 1243 NH1 ARG A 76 9.351 1.684 11.025 1.00 0.00 N ATOM 1244 NH2 ARG A 76 10.369 2.922 9.379 1.00 0.00 N ATOM 0 H ARG A 76 7.315 -1.878 4.872 1.00 0.00 H new ATOM 0 HA ARG A 76 5.270 -0.776 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.082 0.129 5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.000 1.021 7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.024 -1.547 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.678 -1.309 7.608 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.074 0.506 9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.430 -0.509 9.898 1.00 0.00 H new ATOM 0 HE ARG A 76 9.131 1.422 7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.727 0.928 11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.821 2.248 11.733 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.530 3.121 8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.834 3.481 10.095 1.00 0.00 H new ATOM 1258 N ILE A 77 4.261 0.218 4.543 1.00 0.00 N ATOM 1259 CA ILE A 77 3.641 1.073 3.531 1.00 0.00 C ATOM 1260 C ILE A 77 2.686 2.080 4.174 1.00 0.00 C ATOM 1261 O ILE A 77 1.821 1.706 4.970 1.00 0.00 O ATOM 1262 CB ILE A 77 2.866 0.243 2.482 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.733 -0.908 1.956 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.403 1.133 1.334 1.00 0.00 C ATOM 1265 CD1 ILE A 77 3.010 -1.819 0.986 1.00 0.00 C ATOM 0 H ILE A 77 3.637 -0.484 4.940 1.00 0.00 H new ATOM 0 HA ILE A 77 4.450 1.606 3.031 1.00 0.00 H new ATOM 0 HB ILE A 77 1.986 -0.184 2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.613 -0.493 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.088 -1.499 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.859 0.533 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.749 1.915 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.269 1.589 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.685 -2.609 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.145 -2.263 1.479 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.678 -1.242 0.123 1.00 0.00 H new ATOM 1277 N LEU A 78 2.845 3.355 3.819 1.00 0.00 N ATOM 1278 CA LEU A 78 1.994 4.413 4.358 1.00 0.00 C ATOM 1279 C LEU A 78 1.042 4.949 3.289 1.00 0.00 C ATOM 1280 O LEU A 78 1.458 5.246 2.166 1.00 0.00 O ATOM 1281 CB LEU A 78 2.849 5.556 4.928 1.00 0.00 C ATOM 1282 CG LEU A 78 3.714 6.309 3.908 1.00 0.00 C ATOM 1283 CD1 LEU A 78 3.018 7.581 3.444 1.00 0.00 C ATOM 1284 CD2 LEU A 78 5.077 6.634 4.502 1.00 0.00 C ATOM 0 H LEU A 78 3.554 3.679 3.161 1.00 0.00 H new ATOM 0 HA LEU A 78 1.398 3.985 5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.188 6.272 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.501 5.148 5.700 1.00 0.00 H new ATOM 0 HG LEU A 78 3.859 5.664 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.649 8.098 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.067 7.326 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.839 8.231 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.677 7.168 3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.949 7.258 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.582 5.709 4.780 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.237 5.075 3.647 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.247 5.584 2.722 1.00 0.00 C ATOM 1298 C LEU A 79 -1.740 6.960 3.167 1.00 0.00 C ATOM 1299 O LEU A 79 -1.995 7.186 4.352 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.427 4.606 2.596 1.00 0.00 C ATOM 1301 CG LEU A 79 -3.019 4.090 3.912 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.046 5.070 4.462 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.646 2.719 3.709 1.00 0.00 C ATOM 0 H LEU A 79 -0.596 4.831 4.570 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.783 5.682 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.220 5.097 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.101 3.749 2.007 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.212 3.999 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.453 4.684 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.569 6.033 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.852 5.196 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.062 2.366 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.440 2.789 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.886 2.019 3.363 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.863 7.880 2.210 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.318 9.238 2.501 1.00 0.00 C ATOM 1317 C LEU A 80 -3.688 9.505 1.882 1.00 0.00 C ATOM 1318 O LEU A 80 -4.011 8.988 0.810 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.304 10.265 1.979 1.00 0.00 C ATOM 1320 CG LEU A 80 0.146 10.034 2.420 1.00 0.00 C ATOM 1321 CD1 LEU A 80 1.113 10.462 1.325 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.438 10.783 3.715 1.00 0.00 C ATOM 0 H LEU A 80 -1.654 7.709 1.227 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.404 9.336 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.340 10.265 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.613 11.257 2.309 1.00 0.00 H new ATOM 0 HG LEU A 80 0.283 8.968 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.137 10.290 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.921 9.881 0.423 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.974 11.522 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.472 10.607 4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.282 11.851 3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.230 10.428 4.499 1.00 0.00 H new ATOM 1334 N SER A 81 -4.486 10.325 2.564 1.00 0.00 N ATOM 1335 CA SER A 81 -5.823 10.679 2.092 1.00 0.00 C ATOM 1336 C SER A 81 -5.792 11.988 1.306 1.00 0.00 C ATOM 1337 O SER A 81 -4.986 12.873 1.595 1.00 0.00 O ATOM 1338 CB SER A 81 -6.784 10.811 3.275 1.00 0.00 C ATOM 1339 OG SER A 81 -8.130 10.643 2.861 1.00 0.00 O ATOM 0 H SER A 81 -4.227 10.759 3.450 1.00 0.00 H new ATOM 0 HA SER A 81 -6.171 9.884 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.538 10.067 4.032 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.662 11.790 3.739 1.00 0.00 H new ATOM 0 HG SER A 81 -8.724 10.730 3.636 1.00 0.00 H new ATOM 1345 N GLN A 82 -6.674 12.106 0.313 1.00 0.00 N ATOM 1346 CA GLN A 82 -6.746 13.317 -0.511 1.00 0.00 C ATOM 1347 C GLN A 82 -7.518 14.446 0.178 1.00 0.00 C ATOM 1348 O GLN A 82 -7.746 15.504 -0.415 1.00 0.00 O ATOM 1349 CB GLN A 82 -7.375 13.006 -1.873 1.00 0.00 C ATOM 1350 CG GLN A 82 -6.370 12.553 -2.921 1.00 0.00 C ATOM 1351 CD GLN A 82 -6.175 13.578 -4.022 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -6.877 13.559 -5.032 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -5.218 14.480 -3.833 1.00 0.00 N ATOM 0 H GLN A 82 -7.346 11.382 0.059 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.722 13.662 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.129 12.230 -1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.890 13.895 -2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.412 12.355 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.706 11.613 -3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.659 14.459 -2.980 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -5.042 15.193 -4.541 1.00 0.00 H new