USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 642 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 53 HIS : no HE2:sc= 0.675 K(o=2.9,f=-6.5!) USER MOD Set 1.2: A 86 THR OG1 : rot -30:sc= 2.22 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= -0.0515 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.739 K(o=1.6,f=1) USER MOD Set 3.2: A 36 CYS SG : rot 117:sc= 0.845 USER MOD Single : A 11 ASN : amide:sc= -0.0283 K(o=-0.028,f=-1.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.208 F(o=-1.3!,f=-0.21) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00101 X(o=-0.001,f=-0.056) USER MOD Single : A 61 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.58) USER MOD Single : A 62 SER OG : rot -28:sc= 0.836 USER MOD Single : A 66 THR OG1 : rot -167:sc= -2.28! USER MOD Single : A 68 HIS : no HE2:sc= -0.0646 K(o=-0.065,f=-0.85) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0828 (180deg=-0.432) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 80:sc= 1.28 USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.04) USER MOD Single : A 84 MET CE :methyl 153:sc= -4.51! (180deg=-6.01!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 157:sc= -0.203 (180deg=-0.844) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 15.061 -7.322 3.375 1.00 0.00 N ATOM 55 CA ASN A 11 13.844 -7.220 2.604 1.00 0.00 C ATOM 56 C ASN A 11 12.710 -7.032 3.583 1.00 0.00 C ATOM 57 O ASN A 11 12.350 -7.958 4.306 1.00 0.00 O ATOM 58 CB ASN A 11 13.646 -8.479 1.743 1.00 0.00 C ATOM 59 CG ASN A 11 12.556 -8.345 0.674 1.00 0.00 C ATOM 60 OD1 ASN A 11 11.559 -7.641 0.835 1.00 0.00 O ATOM 61 ND2 ASN A 11 12.739 -9.039 -0.423 1.00 0.00 N ATOM 0 HA ASN A 11 13.885 -6.375 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.589 -8.724 1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 11 13.398 -9.316 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.046 -9.004 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.575 -9.614 -0.529 1.00 0.00 H new ATOM 68 N VAL A 12 12.204 -5.828 3.644 1.00 0.00 N ATOM 69 CA VAL A 12 11.200 -5.439 4.586 1.00 0.00 C ATOM 70 C VAL A 12 10.115 -4.683 3.871 1.00 0.00 C ATOM 71 O VAL A 12 10.377 -3.820 3.024 1.00 0.00 O ATOM 72 CB VAL A 12 11.779 -4.562 5.769 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.669 -3.900 6.582 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.607 -5.408 6.712 1.00 0.00 C ATOM 0 H VAL A 12 12.490 -5.074 3.020 1.00 0.00 H new ATOM 0 HA VAL A 12 10.799 -6.348 5.034 1.00 0.00 H new ATOM 0 HB VAL A 12 12.397 -3.792 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.109 -3.307 7.384 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.080 -3.252 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.024 -4.668 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.994 -4.783 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.985 -6.198 7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.439 -5.853 6.166 1.00 0.00 H new ATOM 84 N THR A 13 8.947 -5.032 4.192 1.00 0.00 N ATOM 85 CA THR A 13 7.776 -4.446 3.722 1.00 0.00 C ATOM 86 C THR A 13 7.027 -3.956 4.941 1.00 0.00 C ATOM 87 O THR A 13 6.705 -4.738 5.857 1.00 0.00 O ATOM 88 CB THR A 13 6.982 -5.509 2.968 1.00 0.00 C ATOM 89 OG1 THR A 13 7.676 -5.891 1.765 1.00 0.00 O ATOM 90 CG2 THR A 13 5.562 -5.085 2.675 1.00 0.00 C ATOM 0 H THR A 13 8.770 -5.797 4.843 1.00 0.00 H new ATOM 0 HA THR A 13 7.958 -3.614 3.041 1.00 0.00 H new ATOM 0 HB THR A 13 6.906 -6.378 3.621 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.158 -6.574 1.291 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.048 -5.882 2.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.042 -4.885 3.612 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.571 -4.182 2.064 1.00 0.00 H new ATOM 98 N THR A 14 6.797 -2.706 4.980 1.00 0.00 N ATOM 99 CA THR A 14 6.189 -2.102 6.094 1.00 0.00 C ATOM 100 C THR A 14 4.684 -2.081 5.918 1.00 0.00 C ATOM 101 O THR A 14 4.153 -1.891 4.817 1.00 0.00 O ATOM 102 CB THR A 14 6.729 -0.693 6.276 1.00 0.00 C ATOM 103 OG1 THR A 14 8.166 -0.747 6.295 1.00 0.00 O ATOM 104 CG2 THR A 14 6.221 -0.046 7.568 1.00 0.00 C ATOM 0 H THR A 14 7.030 -2.060 4.225 1.00 0.00 H new ATOM 0 HA THR A 14 6.422 -2.681 6.988 1.00 0.00 H new ATOM 0 HB THR A 14 6.377 -0.082 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.526 0.157 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.632 0.960 7.657 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.133 0.007 7.545 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.537 -0.644 8.423 1.00 0.00 H new ATOM 112 N VAL A 15 4.029 -2.314 6.978 1.00 0.00 N ATOM 113 CA VAL A 15 2.634 -2.354 7.057 1.00 0.00 C ATOM 114 C VAL A 15 2.178 -1.300 7.986 1.00 0.00 C ATOM 115 O VAL A 15 2.768 -1.101 9.059 1.00 0.00 O ATOM 116 CB VAL A 15 2.192 -3.712 7.600 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.726 -3.715 7.992 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.463 -4.774 6.585 1.00 0.00 C ATOM 0 H VAL A 15 4.484 -2.494 7.873 1.00 0.00 H new ATOM 0 HA VAL A 15 2.207 -2.197 6.066 1.00 0.00 H new ATOM 0 HB VAL A 15 2.768 -3.916 8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.453 -4.699 8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.555 -2.966 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.116 -3.482 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.146 -5.741 6.976 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.911 -4.554 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.530 -4.804 6.365 1.00 0.00 H new ATOM 128 N LEU A 16 1.176 -0.616 7.601 1.00 0.00 N ATOM 129 CA LEU A 16 0.602 0.288 8.474 1.00 0.00 C ATOM 130 C LEU A 16 -0.820 -0.095 8.695 1.00 0.00 C ATOM 131 O LEU A 16 -1.670 0.028 7.804 1.00 0.00 O ATOM 132 CB LEU A 16 0.691 1.708 8.011 1.00 0.00 C ATOM 133 CG LEU A 16 0.132 2.698 9.011 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.056 2.872 10.185 1.00 0.00 C ATOM 135 CD2 LEU A 16 -0.160 3.983 8.367 1.00 0.00 C ATOM 0 H LEU A 16 0.743 -0.674 6.679 1.00 0.00 H new ATOM 0 HA LEU A 16 1.166 0.244 9.406 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.734 1.953 7.811 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.153 1.810 7.069 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.806 2.294 9.392 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.625 3.589 10.884 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.192 1.914 10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.021 3.240 9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.560 4.677 9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.756 4.393 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.893 3.834 7.574 1.00 0.00 H new ATOM 147 N ILE A 17 -1.073 -0.536 9.855 1.00 0.00 N ATOM 148 CA ILE A 17 -2.367 -0.908 10.255 1.00 0.00 C ATOM 149 C ILE A 17 -2.924 0.249 11.006 1.00 0.00 C ATOM 150 O ILE A 17 -2.259 0.813 11.872 1.00 0.00 O ATOM 151 CB ILE A 17 -2.318 -2.217 11.145 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.827 -3.412 10.359 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.117 -2.086 12.440 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.310 -3.320 10.073 1.00 0.00 C ATOM 0 H ILE A 17 -0.365 -0.654 10.580 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.999 -1.144 9.399 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.273 -2.364 11.417 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.281 -3.485 9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.623 -4.325 10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.046 -3.014 13.007 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.715 -1.266 13.034 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.162 -1.885 12.204 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.627 -4.197 9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.860 -3.275 11.013 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.513 -2.421 9.491 1.00 0.00 H new ATOM 166 N ARG A 18 -4.058 0.688 10.589 1.00 0.00 N ATOM 167 CA ARG A 18 -4.734 1.694 11.297 1.00 0.00 C ATOM 168 C ARG A 18 -5.961 1.108 11.848 1.00 0.00 C ATOM 169 O ARG A 18 -6.929 0.833 11.146 1.00 0.00 O ATOM 170 CB ARG A 18 -4.966 2.939 10.468 1.00 0.00 C ATOM 171 CG ARG A 18 -3.668 3.663 10.175 1.00 0.00 C ATOM 172 CD ARG A 18 -3.885 4.903 9.372 1.00 0.00 C ATOM 173 NE ARG A 18 -4.733 5.877 10.056 1.00 0.00 N ATOM 174 CZ ARG A 18 -5.299 6.929 9.468 1.00 0.00 C ATOM 175 NH1 ARG A 18 -5.049 7.199 8.191 1.00 0.00 N ATOM 176 NH2 ARG A 18 -6.092 7.717 10.173 1.00 0.00 N ATOM 0 H ARG A 18 -4.535 0.356 9.750 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.116 2.051 12.120 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.452 2.668 9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.645 3.608 10.997 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.177 3.921 11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.995 2.996 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.921 5.360 9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.340 4.638 8.418 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.903 5.742 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.421 6.599 7.656 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.485 8.006 7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.265 7.517 11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.531 8.526 9.732 1.00 0.00 H new ATOM 190 N ARG A 19 -5.869 0.851 13.087 1.00 0.00 N ATOM 191 CA ARG A 19 -6.882 0.183 13.817 1.00 0.00 C ATOM 192 C ARG A 19 -7.755 1.179 14.568 1.00 0.00 C ATOM 193 O ARG A 19 -7.280 1.852 15.472 1.00 0.00 O ATOM 194 CB ARG A 19 -6.225 -0.810 14.763 1.00 0.00 C ATOM 195 CG ARG A 19 -7.182 -1.511 15.675 1.00 0.00 C ATOM 196 CD ARG A 19 -6.493 -2.591 16.465 1.00 0.00 C ATOM 197 NE ARG A 19 -7.457 -3.350 17.251 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.317 -4.626 17.612 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.175 -5.232 17.446 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.323 -5.275 18.170 1.00 0.00 N ATOM 0 H ARG A 19 -5.058 1.106 13.651 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.537 -0.357 13.133 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.688 -1.555 14.175 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.484 -0.285 15.366 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.632 -0.790 16.357 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -7.993 -1.946 15.090 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.961 -3.260 15.788 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.748 -2.146 17.125 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.305 -2.868 17.548 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.386 -4.730 17.039 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.071 -6.208 17.723 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.212 -4.800 18.327 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.211 -6.251 18.444 1.00 0.00 H new ATOM 214 N PRO A 20 -9.036 1.306 14.175 1.00 0.00 N ATOM 215 CA PRO A 20 -9.979 2.233 14.818 1.00 0.00 C ATOM 216 C PRO A 20 -10.170 1.983 16.326 1.00 0.00 C ATOM 217 O PRO A 20 -10.258 2.940 17.112 1.00 0.00 O ATOM 218 CB PRO A 20 -11.291 1.990 14.064 1.00 0.00 C ATOM 219 CG PRO A 20 -10.863 1.463 12.743 1.00 0.00 C ATOM 220 CD PRO A 20 -9.655 0.618 13.022 1.00 0.00 C ATOM 0 HA PRO A 20 -9.614 3.259 14.764 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.926 1.277 14.590 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.865 2.910 13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.655 0.875 12.280 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.624 2.274 12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.927 -0.410 13.262 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.982 0.578 12.165 1.00 0.00 H new ATOM 228 N ASP A 21 -10.216 0.716 16.736 1.00 0.00 N ATOM 229 CA ASP A 21 -10.450 0.383 18.148 1.00 0.00 C ATOM 230 C ASP A 21 -10.123 -1.096 18.384 1.00 0.00 C ATOM 231 O ASP A 21 -9.774 -1.804 17.449 1.00 0.00 O ATOM 232 CB ASP A 21 -11.919 0.665 18.520 1.00 0.00 C ATOM 233 CG ASP A 21 -12.169 0.694 20.003 1.00 0.00 C ATOM 234 OD1 ASP A 21 -12.415 -0.359 20.582 1.00 0.00 O ATOM 235 OD2 ASP A 21 -12.101 1.764 20.603 1.00 0.00 O ATOM 0 H ASP A 21 -10.097 -0.090 16.123 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.806 0.999 18.776 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.217 1.622 18.091 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.553 -0.098 18.068 1.00 0.00 H new ATOM 240 N LEU A 22 -10.305 -1.562 19.596 1.00 0.00 N ATOM 241 CA LEU A 22 -9.991 -2.912 20.023 1.00 0.00 C ATOM 242 C LEU A 22 -11.007 -3.885 19.516 1.00 0.00 C ATOM 243 O LEU A 22 -10.772 -5.082 19.472 1.00 0.00 O ATOM 244 CB LEU A 22 -9.957 -2.969 21.525 1.00 0.00 C ATOM 245 CG LEU A 22 -9.011 -1.985 22.161 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.963 -2.208 23.642 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.632 -2.108 21.545 1.00 0.00 C ATOM 0 H LEU A 22 -10.692 -0.990 20.346 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.017 -3.182 19.615 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.962 -2.788 21.907 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.676 -3.976 21.832 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.371 -0.972 21.978 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.277 -1.493 24.096 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.959 -2.072 24.063 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.618 -3.222 23.846 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.959 -1.391 22.014 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.253 -3.118 21.701 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.692 -1.904 20.476 1.00 0.00 H new ATOM 259 N ARG A 23 -12.135 -3.366 19.131 1.00 0.00 N ATOM 260 CA ARG A 23 -13.187 -4.175 18.554 1.00 0.00 C ATOM 261 C ARG A 23 -12.911 -4.408 17.083 1.00 0.00 C ATOM 262 O ARG A 23 -13.541 -5.238 16.438 1.00 0.00 O ATOM 263 CB ARG A 23 -14.599 -3.595 18.807 1.00 0.00 C ATOM 264 CG ARG A 23 -15.023 -3.620 20.283 1.00 0.00 C ATOM 265 CD ARG A 23 -14.254 -2.610 21.116 1.00 0.00 C ATOM 266 NE ARG A 23 -14.337 -2.832 22.558 1.00 0.00 N ATOM 267 CZ ARG A 23 -13.575 -2.177 23.464 1.00 0.00 C ATOM 268 NH1 ARG A 23 -12.756 -1.205 23.073 1.00 0.00 N ATOM 269 NH2 ARG A 23 -13.663 -2.472 24.744 1.00 0.00 N ATOM 0 H ARG A 23 -12.359 -2.374 19.204 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.183 -5.140 19.060 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.629 -2.567 18.447 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.324 -4.159 18.221 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.090 -3.412 20.357 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.864 -4.619 20.688 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.206 -2.632 20.817 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.629 -1.611 20.892 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.008 -3.520 22.901 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.701 -0.951 22.087 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.183 -0.714 23.759 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.308 -3.198 25.057 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.086 -1.975 25.423 1.00 0.00 H new ATOM 283 N TYR A 24 -11.948 -3.668 16.562 1.00 0.00 N ATOM 284 CA TYR A 24 -11.546 -3.805 15.180 1.00 0.00 C ATOM 285 C TYR A 24 -10.320 -4.649 15.095 1.00 0.00 C ATOM 286 O TYR A 24 -9.222 -4.145 15.197 1.00 0.00 O ATOM 287 CB TYR A 24 -11.296 -2.452 14.520 1.00 0.00 C ATOM 288 CG TYR A 24 -12.544 -1.740 14.108 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.367 -1.115 15.035 1.00 0.00 C ATOM 290 CD2 TYR A 24 -12.900 -1.699 12.776 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.517 -0.477 14.634 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.039 -1.071 12.366 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.848 -0.455 13.296 1.00 0.00 C ATOM 294 OH TYR A 24 -16.008 0.165 12.882 1.00 0.00 O ATOM 0 H TYR A 24 -11.428 -2.962 17.083 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.364 -4.284 14.642 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.739 -1.819 15.211 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.666 -2.597 13.643 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.101 -1.130 16.082 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.264 -2.174 12.043 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.156 0.003 15.361 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.305 -1.057 11.319 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.089 0.090 11.908 1.00 0.00 H new ATOM 304 N GLN A 25 -10.517 -5.929 14.978 1.00 0.00 N ATOM 305 CA GLN A 25 -9.420 -6.862 14.919 1.00 0.00 C ATOM 306 C GLN A 25 -8.701 -6.772 13.581 1.00 0.00 C ATOM 307 O GLN A 25 -9.230 -6.218 12.623 1.00 0.00 O ATOM 308 CB GLN A 25 -9.905 -8.270 15.235 1.00 0.00 C ATOM 309 CG GLN A 25 -10.965 -8.781 14.284 1.00 0.00 C ATOM 310 CD GLN A 25 -10.465 -9.805 13.268 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.528 -10.640 13.653 1.00 0.00 O flip ATOM 312 NE2 GLN A 25 -10.980 -9.886 12.152 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.440 -6.360 14.920 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.687 -6.598 15.681 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.054 -8.950 15.214 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.302 -8.288 16.250 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.771 -9.229 14.865 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.392 -7.934 13.747 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.706 -9.225 11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.680 -10.614 11.504 1.00 0.00 H new ATOM 321 N LEU A 26 -7.534 -7.354 13.527 1.00 0.00 N ATOM 322 CA LEU A 26 -6.621 -7.187 12.413 1.00 0.00 C ATOM 323 C LEU A 26 -7.147 -7.862 11.157 1.00 0.00 C ATOM 324 O LEU A 26 -7.343 -7.219 10.110 1.00 0.00 O ATOM 325 CB LEU A 26 -5.223 -7.756 12.757 1.00 0.00 C ATOM 326 CG LEU A 26 -4.586 -7.378 14.126 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.809 -5.919 14.478 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.044 -8.309 15.256 1.00 0.00 C ATOM 0 H LEU A 26 -7.180 -7.967 14.261 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.537 -6.117 12.224 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.286 -8.843 12.709 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.535 -7.442 11.973 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.511 -7.519 14.014 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.347 -5.702 15.441 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.362 -5.287 13.711 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.879 -5.718 14.535 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.573 -8.005 16.191 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.127 -8.250 15.360 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.757 -9.334 15.021 1.00 0.00 H new ATOM 340 N GLY A 27 -7.366 -9.145 11.254 1.00 0.00 N ATOM 341 CA GLY A 27 -7.851 -9.873 10.130 1.00 0.00 C ATOM 342 C GLY A 27 -6.763 -10.676 9.468 1.00 0.00 C ATOM 343 O GLY A 27 -6.698 -10.747 8.252 1.00 0.00 O ATOM 0 H GLY A 27 -7.215 -9.699 12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.652 -10.540 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.282 -9.180 9.407 1.00 0.00 H new ATOM 347 N PHE A 28 -5.885 -11.245 10.256 1.00 0.00 N ATOM 348 CA PHE A 28 -4.861 -12.129 9.743 1.00 0.00 C ATOM 349 C PHE A 28 -4.448 -13.086 10.847 1.00 0.00 C ATOM 350 O PHE A 28 -4.590 -12.772 12.040 1.00 0.00 O ATOM 351 CB PHE A 28 -3.624 -11.371 9.149 1.00 0.00 C ATOM 352 CG PHE A 28 -2.705 -10.700 10.150 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.932 -9.407 10.572 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.596 -11.373 10.646 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.081 -8.794 11.466 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.744 -10.764 11.544 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.988 -9.474 11.954 1.00 0.00 C ATOM 0 H PHE A 28 -5.857 -11.111 11.267 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.283 -12.683 8.904 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.036 -12.080 8.566 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.988 -10.612 8.456 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.789 -8.867 10.197 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.398 -12.385 10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.272 -7.780 11.784 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.113 -11.299 11.924 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.323 -8.995 12.658 1.00 0.00 H new ATOM 367 N SER A 29 -3.978 -14.220 10.466 1.00 0.00 N ATOM 368 CA SER A 29 -3.535 -15.232 11.405 1.00 0.00 C ATOM 369 C SER A 29 -2.019 -15.327 11.340 1.00 0.00 C ATOM 370 O SER A 29 -1.451 -15.421 10.238 1.00 0.00 O ATOM 371 CB SER A 29 -4.159 -16.566 11.029 1.00 0.00 C ATOM 372 OG SER A 29 -5.578 -16.467 10.997 1.00 0.00 O ATOM 0 H SER A 29 -3.882 -14.491 9.487 1.00 0.00 H new ATOM 0 HA SER A 29 -3.839 -14.970 12.419 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.790 -16.884 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.859 -17.329 11.748 1.00 0.00 H new ATOM 0 HG SER A 29 -5.961 -17.335 10.751 1.00 0.00 H new ATOM 378 N VAL A 30 -1.356 -15.298 12.478 1.00 0.00 N ATOM 379 CA VAL A 30 0.079 -15.301 12.482 1.00 0.00 C ATOM 380 C VAL A 30 0.635 -16.558 13.216 1.00 0.00 C ATOM 381 O VAL A 30 0.148 -16.948 14.273 1.00 0.00 O ATOM 382 CB VAL A 30 0.617 -13.961 13.114 1.00 0.00 C ATOM 383 CG1 VAL A 30 0.845 -14.022 14.615 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.822 -13.437 12.392 1.00 0.00 C ATOM 0 H VAL A 30 -1.790 -15.272 13.401 1.00 0.00 H new ATOM 0 HA VAL A 30 0.436 -15.355 11.454 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.193 -13.245 12.975 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.215 -13.059 14.966 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.094 -14.255 15.117 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.578 -14.796 14.840 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.156 -12.513 12.864 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.622 -14.176 12.435 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.566 -13.240 11.351 1.00 0.00 H new ATOM 394 N GLN A 31 1.608 -17.207 12.622 1.00 0.00 N ATOM 395 CA GLN A 31 2.265 -18.355 13.227 1.00 0.00 C ATOM 396 C GLN A 31 3.718 -18.005 13.545 1.00 0.00 C ATOM 397 O GLN A 31 4.509 -17.753 12.650 1.00 0.00 O ATOM 398 CB GLN A 31 2.168 -19.624 12.345 1.00 0.00 C ATOM 399 CG GLN A 31 2.647 -19.451 10.909 1.00 0.00 C ATOM 400 CD GLN A 31 2.769 -20.762 10.172 1.00 0.00 C ATOM 401 OE1 GLN A 31 1.814 -21.252 9.545 1.00 0.00 O ATOM 402 NE2 GLN A 31 3.940 -21.332 10.214 1.00 0.00 N ATOM 0 H GLN A 31 1.972 -16.958 11.702 1.00 0.00 H new ATOM 0 HA GLN A 31 1.744 -18.592 14.155 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.750 -20.418 12.813 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.130 -19.957 12.328 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.953 -18.802 10.375 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.615 -18.949 10.911 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.699 -20.899 10.739 1.00 0.00 H new ATOM 0 HE22 GLN A 31 4.097 -22.211 9.721 1.00 0.00 H new ATOM 411 N ASN A 32 4.025 -17.922 14.837 1.00 0.00 N ATOM 412 CA ASN A 32 5.369 -17.534 15.381 1.00 0.00 C ATOM 413 C ASN A 32 5.793 -16.129 14.932 1.00 0.00 C ATOM 414 O ASN A 32 6.940 -15.732 15.114 1.00 0.00 O ATOM 415 CB ASN A 32 6.489 -18.532 14.993 1.00 0.00 C ATOM 416 CG ASN A 32 6.248 -19.967 15.420 1.00 0.00 C ATOM 417 OD1 ASN A 32 5.531 -20.245 16.387 1.00 0.00 O ATOM 418 ND2 ASN A 32 6.887 -20.885 14.736 1.00 0.00 N ATOM 0 H ASN A 32 3.345 -18.123 15.571 1.00 0.00 H new ATOM 0 HA ASN A 32 5.245 -17.549 16.464 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.617 -18.508 13.911 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.426 -18.191 15.432 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.801 -21.867 14.997 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.470 -20.617 13.943 1.00 0.00 H new ATOM 425 N GLY A 33 4.860 -15.377 14.383 1.00 0.00 N ATOM 426 CA GLY A 33 5.180 -14.075 13.853 1.00 0.00 C ATOM 427 C GLY A 33 5.110 -14.054 12.338 1.00 0.00 C ATOM 428 O GLY A 33 5.337 -13.034 11.719 1.00 0.00 O ATOM 0 H GLY A 33 3.880 -15.647 14.294 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.489 -13.337 14.260 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.181 -13.787 14.175 1.00 0.00 H new ATOM 432 N ILE A 34 4.771 -15.183 11.743 1.00 0.00 N ATOM 433 CA ILE A 34 4.658 -15.285 10.289 1.00 0.00 C ATOM 434 C ILE A 34 3.192 -15.398 9.890 1.00 0.00 C ATOM 435 O ILE A 34 2.505 -16.320 10.295 1.00 0.00 O ATOM 436 CB ILE A 34 5.458 -16.492 9.651 1.00 0.00 C ATOM 437 CG1 ILE A 34 6.984 -16.410 9.888 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.205 -16.544 8.154 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.458 -16.671 11.298 1.00 0.00 C ATOM 0 H ILE A 34 4.567 -16.049 12.242 1.00 0.00 H new ATOM 0 HA ILE A 34 5.109 -14.373 9.897 1.00 0.00 H new ATOM 0 HB ILE A 34 5.095 -17.393 10.146 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.472 -17.125 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.323 -15.418 9.591 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.758 -17.377 7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.139 -16.681 7.970 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.535 -15.611 7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.544 -16.585 11.339 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.011 -15.941 11.973 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.162 -17.675 11.601 1.00 0.00 H new ATOM 451 N ILE A 35 2.731 -14.442 9.140 1.00 0.00 N ATOM 452 CA ILE A 35 1.364 -14.390 8.639 1.00 0.00 C ATOM 453 C ILE A 35 1.046 -15.629 7.786 1.00 0.00 C ATOM 454 O ILE A 35 1.732 -15.907 6.786 1.00 0.00 O ATOM 455 CB ILE A 35 1.194 -13.115 7.811 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.498 -11.918 8.716 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.233 -13.028 7.238 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.858 -10.672 7.982 1.00 0.00 C ATOM 0 H ILE A 35 3.300 -13.649 8.844 1.00 0.00 H new ATOM 0 HA ILE A 35 0.670 -14.381 9.480 1.00 0.00 H new ATOM 0 HB ILE A 35 1.881 -13.120 6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.627 -11.719 9.341 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.317 -12.182 9.385 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.335 -12.115 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.422 -13.891 6.600 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.953 -13.017 8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.058 -9.874 8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.748 -10.850 7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.032 -10.380 7.334 1.00 0.00 H new ATOM 470 N CYS A 36 0.030 -16.354 8.177 1.00 0.00 N ATOM 471 CA CYS A 36 -0.331 -17.586 7.515 1.00 0.00 C ATOM 472 C CYS A 36 -1.557 -17.386 6.611 1.00 0.00 C ATOM 473 O CYS A 36 -1.684 -18.034 5.571 1.00 0.00 O ATOM 474 CB CYS A 36 -0.593 -18.666 8.564 1.00 0.00 C ATOM 475 SG CYS A 36 -0.669 -20.350 7.921 1.00 0.00 S ATOM 0 H CYS A 36 -0.572 -16.109 8.963 1.00 0.00 H new ATOM 0 HA CYS A 36 0.494 -17.903 6.877 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.192 -18.616 9.319 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.534 -18.442 9.067 1.00 0.00 H new ATOM 0 HG CYS A 36 0.299 -21.053 8.430 1.00 0.00 H new ATOM 481 N SER A 37 -2.444 -16.491 6.996 1.00 0.00 N ATOM 482 CA SER A 37 -3.620 -16.199 6.209 1.00 0.00 C ATOM 483 C SER A 37 -4.046 -14.763 6.447 1.00 0.00 C ATOM 484 O SER A 37 -3.638 -14.156 7.455 1.00 0.00 O ATOM 485 CB SER A 37 -4.749 -17.180 6.535 1.00 0.00 C ATOM 486 OG SER A 37 -5.039 -17.190 7.920 1.00 0.00 O ATOM 0 H SER A 37 -2.369 -15.950 7.857 1.00 0.00 H new ATOM 0 HA SER A 37 -3.384 -16.319 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.644 -16.906 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.467 -18.182 6.213 1.00 0.00 H new ATOM 0 HG SER A 37 -5.765 -17.824 8.098 1.00 0.00 H new ATOM 492 N LEU A 38 -4.834 -14.226 5.537 1.00 0.00 N ATOM 493 CA LEU A 38 -5.274 -12.853 5.590 1.00 0.00 C ATOM 494 C LEU A 38 -6.749 -12.767 5.216 1.00 0.00 C ATOM 495 O LEU A 38 -7.163 -13.314 4.184 1.00 0.00 O ATOM 496 CB LEU A 38 -4.424 -12.033 4.605 1.00 0.00 C ATOM 497 CG LEU A 38 -4.791 -10.561 4.398 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.714 -9.799 5.692 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.858 -9.943 3.393 1.00 0.00 C ATOM 0 H LEU A 38 -5.189 -14.741 4.731 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.154 -12.457 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.388 -12.076 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.465 -12.528 3.635 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.816 -10.512 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.979 -8.756 5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.407 -10.234 6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.699 -9.854 6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.122 -8.895 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.833 -10.012 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.942 -10.473 2.444 1.00 0.00 H new ATOM 511 N MET A 39 -7.518 -12.096 6.048 1.00 0.00 N ATOM 512 CA MET A 39 -8.940 -11.895 5.823 1.00 0.00 C ATOM 513 C MET A 39 -9.149 -10.833 4.760 1.00 0.00 C ATOM 514 O MET A 39 -8.812 -9.652 4.959 1.00 0.00 O ATOM 515 CB MET A 39 -9.661 -11.497 7.126 1.00 0.00 C ATOM 516 CG MET A 39 -11.156 -11.200 6.972 1.00 0.00 C ATOM 517 SD MET A 39 -12.108 -12.621 6.388 1.00 0.00 S ATOM 518 CE MET A 39 -13.761 -11.915 6.327 1.00 0.00 C ATOM 0 H MET A 39 -7.173 -11.670 6.908 1.00 0.00 H new ATOM 0 HA MET A 39 -9.368 -12.837 5.479 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.538 -12.301 7.852 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.171 -10.616 7.540 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.556 -10.873 7.932 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.285 -10.373 6.274 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.467 -12.671 5.983 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.049 -11.576 7.322 1.00 0.00 H new ATOM 0 HE3 MET A 39 -13.771 -11.070 5.639 1.00 0.00 H new ATOM 528 N ARG A 40 -9.662 -11.273 3.640 1.00 0.00 N ATOM 529 CA ARG A 40 -9.952 -10.448 2.493 1.00 0.00 C ATOM 530 C ARG A 40 -10.863 -9.289 2.871 1.00 0.00 C ATOM 531 O ARG A 40 -11.931 -9.485 3.472 1.00 0.00 O ATOM 532 CB ARG A 40 -10.616 -11.320 1.434 1.00 0.00 C ATOM 533 CG ARG A 40 -10.891 -10.666 0.089 1.00 0.00 C ATOM 534 CD ARG A 40 -9.610 -10.196 -0.578 1.00 0.00 C ATOM 535 NE ARG A 40 -8.572 -11.245 -0.602 1.00 0.00 N ATOM 536 CZ ARG A 40 -8.290 -12.054 -1.620 1.00 0.00 C ATOM 537 NH1 ARG A 40 -9.041 -12.048 -2.718 1.00 0.00 N ATOM 538 NH2 ARG A 40 -7.280 -12.914 -1.503 1.00 0.00 N ATOM 0 H ARG A 40 -9.899 -12.254 3.495 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.026 -10.023 2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.985 -12.192 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.562 -11.684 1.836 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.402 -11.375 -0.563 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.562 -9.818 0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.829 -9.882 -1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.228 -9.322 -0.050 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.016 -11.361 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.841 -11.419 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.816 -12.672 -3.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.735 -12.946 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.052 -13.541 -2.275 1.00 0.00 H new ATOM 552 N GLY A 41 -10.411 -8.097 2.563 1.00 0.00 N ATOM 553 CA GLY A 41 -11.175 -6.904 2.811 1.00 0.00 C ATOM 554 C GLY A 41 -10.936 -6.311 4.184 1.00 0.00 C ATOM 555 O GLY A 41 -11.387 -5.197 4.467 1.00 0.00 O ATOM 0 H GLY A 41 -9.501 -7.930 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.928 -6.160 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.235 -7.131 2.701 1.00 0.00 H new ATOM 559 N GLY A 42 -10.203 -7.021 5.022 1.00 0.00 N ATOM 560 CA GLY A 42 -9.974 -6.573 6.379 1.00 0.00 C ATOM 561 C GLY A 42 -8.922 -5.488 6.461 1.00 0.00 C ATOM 562 O GLY A 42 -8.232 -5.200 5.464 1.00 0.00 O ATOM 0 H GLY A 42 -9.758 -7.908 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.909 -6.201 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.666 -7.421 6.991 1.00 0.00 H new ATOM 566 N ILE A 43 -8.770 -4.896 7.644 1.00 0.00 N ATOM 567 CA ILE A 43 -7.785 -3.835 7.838 1.00 0.00 C ATOM 568 C ILE A 43 -6.384 -4.306 7.605 1.00 0.00 C ATOM 569 O ILE A 43 -5.571 -3.541 7.134 1.00 0.00 O ATOM 570 CB ILE A 43 -7.861 -3.077 9.194 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.193 -3.995 10.382 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.758 -1.859 9.121 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.165 -3.288 11.732 1.00 0.00 C ATOM 0 H ILE A 43 -9.311 -5.131 8.476 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.064 -3.110 7.074 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.855 -2.706 9.389 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.182 -4.428 10.229 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.483 -4.821 10.400 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.779 -1.364 10.092 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.374 -1.169 8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.768 -2.167 8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.409 -4.000 12.521 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.170 -2.879 11.908 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.896 -2.479 11.734 1.00 0.00 H new ATOM 585 N ALA A 44 -6.102 -5.563 7.925 1.00 0.00 N ATOM 586 CA ALA A 44 -4.786 -6.126 7.714 1.00 0.00 C ATOM 587 C ALA A 44 -4.385 -6.010 6.243 1.00 0.00 C ATOM 588 O ALA A 44 -3.296 -5.529 5.919 1.00 0.00 O ATOM 589 CB ALA A 44 -4.752 -7.564 8.194 1.00 0.00 C ATOM 0 H ALA A 44 -6.776 -6.211 8.334 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.057 -5.562 8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.757 -7.979 8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.989 -7.598 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.485 -8.150 7.639 1.00 0.00 H new ATOM 595 N GLU A 45 -5.303 -6.365 5.369 1.00 0.00 N ATOM 596 CA GLU A 45 -5.082 -6.294 3.934 1.00 0.00 C ATOM 597 C GLU A 45 -4.852 -4.845 3.519 1.00 0.00 C ATOM 598 O GLU A 45 -3.889 -4.518 2.814 1.00 0.00 O ATOM 599 CB GLU A 45 -6.306 -6.831 3.213 1.00 0.00 C ATOM 600 CG GLU A 45 -6.181 -6.855 1.708 1.00 0.00 C ATOM 601 CD GLU A 45 -7.473 -7.214 1.062 1.00 0.00 C ATOM 602 OE1 GLU A 45 -7.997 -8.288 1.345 1.00 0.00 O ATOM 603 OE2 GLU A 45 -7.980 -6.427 0.245 1.00 0.00 O ATOM 0 H GLU A 45 -6.226 -6.712 5.630 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.206 -6.888 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.506 -7.843 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.169 -6.223 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.854 -5.878 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.415 -7.573 1.416 1.00 0.00 H new ATOM 610 N ARG A 46 -5.718 -3.980 4.014 1.00 0.00 N ATOM 611 CA ARG A 46 -5.671 -2.551 3.690 1.00 0.00 C ATOM 612 C ARG A 46 -4.434 -1.882 4.334 1.00 0.00 C ATOM 613 O ARG A 46 -4.018 -0.788 3.946 1.00 0.00 O ATOM 614 CB ARG A 46 -6.973 -1.855 4.135 1.00 0.00 C ATOM 615 CG ARG A 46 -8.241 -2.541 3.613 1.00 0.00 C ATOM 616 CD ARG A 46 -9.510 -1.792 4.005 1.00 0.00 C ATOM 617 NE ARG A 46 -10.721 -2.588 3.717 1.00 0.00 N ATOM 618 CZ ARG A 46 -11.824 -2.158 3.074 1.00 0.00 C ATOM 619 NH1 ARG A 46 -11.862 -0.946 2.533 1.00 0.00 N ATOM 620 NH2 ARG A 46 -12.872 -2.980 2.950 1.00 0.00 N ATOM 0 H ARG A 46 -6.473 -4.238 4.649 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.581 -2.445 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.007 -1.826 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.960 -0.821 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.188 -2.618 2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.287 -3.558 4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.477 -1.550 5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.558 -0.847 3.464 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.722 -3.557 4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.051 -0.331 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.702 -0.630 2.048 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -12.831 -3.921 3.340 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -13.712 -2.665 2.465 1.00 0.00 H new ATOM 634 N GLY A 47 -3.869 -2.549 5.318 1.00 0.00 N ATOM 635 CA GLY A 47 -2.668 -2.095 5.966 1.00 0.00 C ATOM 636 C GLY A 47 -1.424 -2.495 5.200 1.00 0.00 C ATOM 637 O GLY A 47 -0.371 -1.841 5.309 1.00 0.00 O ATOM 0 H GLY A 47 -4.236 -3.425 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.698 -1.010 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.622 -2.508 6.974 1.00 0.00 H new ATOM 641 N GLY A 48 -1.534 -3.553 4.421 1.00 0.00 N ATOM 642 CA GLY A 48 -0.414 -4.009 3.634 1.00 0.00 C ATOM 643 C GLY A 48 0.106 -5.350 4.091 1.00 0.00 C ATOM 644 O GLY A 48 1.195 -5.771 3.678 1.00 0.00 O ATOM 0 H GLY A 48 -2.384 -4.108 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.713 -4.076 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.389 -3.274 3.690 1.00 0.00 H new ATOM 648 N VAL A 49 -0.661 -6.018 4.943 1.00 0.00 N ATOM 649 CA VAL A 49 -0.303 -7.317 5.466 1.00 0.00 C ATOM 650 C VAL A 49 -0.364 -8.336 4.342 1.00 0.00 C ATOM 651 O VAL A 49 -1.263 -8.289 3.519 1.00 0.00 O ATOM 652 CB VAL A 49 -1.272 -7.710 6.622 1.00 0.00 C ATOM 653 CG1 VAL A 49 -1.114 -9.143 7.061 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.067 -6.796 7.811 1.00 0.00 C ATOM 0 H VAL A 49 -1.554 -5.666 5.289 1.00 0.00 H new ATOM 0 HA VAL A 49 0.710 -7.290 5.868 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.283 -7.599 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.815 -9.356 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.317 -9.806 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.095 -9.305 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.750 -7.081 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.039 -6.882 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.264 -5.765 7.516 1.00 0.00 H new ATOM 664 N ARG A 50 0.613 -9.211 4.282 1.00 0.00 N ATOM 665 CA ARG A 50 0.673 -10.228 3.252 1.00 0.00 C ATOM 666 C ARG A 50 1.034 -11.512 3.880 1.00 0.00 C ATOM 667 O ARG A 50 1.762 -11.552 4.873 1.00 0.00 O ATOM 668 CB ARG A 50 1.716 -9.900 2.181 1.00 0.00 C ATOM 669 CG ARG A 50 1.529 -8.568 1.517 1.00 0.00 C ATOM 670 CD ARG A 50 0.244 -8.481 0.732 1.00 0.00 C ATOM 671 NE ARG A 50 0.042 -7.134 0.205 1.00 0.00 N ATOM 672 CZ ARG A 50 -1.091 -6.670 -0.313 1.00 0.00 C ATOM 673 NH1 ARG A 50 -2.169 -7.453 -0.420 1.00 0.00 N ATOM 674 NH2 ARG A 50 -1.147 -5.421 -0.724 1.00 0.00 N ATOM 0 H ARG A 50 1.389 -9.240 4.944 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.303 -10.278 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.706 -9.929 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.692 -10.678 1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.540 -7.785 2.275 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.370 -8.378 0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.267 -9.197 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.596 -8.755 1.371 1.00 0.00 H new ATOM 0 HE ARG A 50 0.837 -6.496 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.130 -8.421 -0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.031 -7.082 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.327 -4.820 -0.643 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.011 -5.054 -1.123 1.00 0.00 H new ATOM 688 N VAL A 51 0.570 -12.532 3.292 1.00 0.00 N ATOM 689 CA VAL A 51 0.774 -13.862 3.765 1.00 0.00 C ATOM 690 C VAL A 51 2.175 -14.335 3.400 1.00 0.00 C ATOM 691 O VAL A 51 2.693 -14.001 2.330 1.00 0.00 O ATOM 692 CB VAL A 51 -0.308 -14.771 3.182 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.030 -16.240 3.430 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.650 -14.397 3.763 1.00 0.00 C ATOM 0 H VAL A 51 0.016 -12.481 2.437 1.00 0.00 H new ATOM 0 HA VAL A 51 0.695 -13.893 4.852 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.311 -14.624 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.829 -16.840 2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.920 -16.513 2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.020 -16.425 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.420 -15.046 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.623 -14.515 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.877 -13.360 3.516 1.00 0.00 H new ATOM 704 N GLY A 52 2.799 -15.058 4.307 1.00 0.00 N ATOM 705 CA GLY A 52 4.149 -15.501 4.085 1.00 0.00 C ATOM 706 C GLY A 52 5.104 -14.418 4.481 1.00 0.00 C ATOM 707 O GLY A 52 6.201 -14.304 3.956 1.00 0.00 O ATOM 0 H GLY A 52 2.392 -15.347 5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.346 -16.403 4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.290 -15.758 3.035 1.00 0.00 H new ATOM 711 N HIS A 53 4.656 -13.586 5.382 1.00 0.00 N ATOM 712 CA HIS A 53 5.448 -12.501 5.881 1.00 0.00 C ATOM 713 C HIS A 53 5.698 -12.652 7.348 1.00 0.00 C ATOM 714 O HIS A 53 4.782 -12.925 8.112 1.00 0.00 O ATOM 715 CB HIS A 53 4.798 -11.139 5.618 1.00 0.00 C ATOM 716 CG HIS A 53 5.037 -10.556 4.259 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.288 -9.217 4.056 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.037 -11.121 3.034 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.427 -8.993 2.773 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.281 -10.128 2.131 1.00 0.00 N ATOM 0 H HIS A 53 3.724 -13.645 5.792 1.00 0.00 H new ATOM 0 HA HIS A 53 6.395 -12.537 5.342 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.723 -11.235 5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.162 -10.433 6.365 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.355 -8.511 4.789 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.874 -12.165 2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.628 -8.034 2.319 1.00 0.00 H new ATOM 729 N ARG A 54 6.929 -12.477 7.735 1.00 0.00 N ATOM 730 CA ARG A 54 7.298 -12.529 9.123 1.00 0.00 C ATOM 731 C ARG A 54 7.317 -11.133 9.637 1.00 0.00 C ATOM 732 O ARG A 54 8.007 -10.279 9.079 1.00 0.00 O ATOM 733 CB ARG A 54 8.674 -13.172 9.320 1.00 0.00 C ATOM 734 CG ARG A 54 9.088 -13.305 10.788 1.00 0.00 C ATOM 735 CD ARG A 54 10.416 -14.035 10.936 1.00 0.00 C ATOM 736 NE ARG A 54 11.545 -13.278 10.373 1.00 0.00 N ATOM 737 CZ ARG A 54 12.416 -13.739 9.454 1.00 0.00 C ATOM 738 NH1 ARG A 54 12.319 -14.982 8.980 1.00 0.00 N ATOM 739 NH2 ARG A 54 13.405 -12.968 9.050 1.00 0.00 N ATOM 0 H ARG A 54 7.705 -12.294 7.099 1.00 0.00 H new ATOM 0 HA ARG A 54 6.577 -13.140 9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.672 -14.161 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.421 -12.578 8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.166 -12.314 11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.315 -13.842 11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.604 -14.228 11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.351 -15.004 10.441 1.00 0.00 H new ATOM 0 HE ARG A 54 11.680 -12.324 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.578 -15.598 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.986 -15.316 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.508 -12.028 9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.068 -13.311 8.355 1.00 0.00 H new ATOM 753 N ILE A 55 6.537 -10.881 10.631 1.00 0.00 N ATOM 754 CA ILE A 55 6.495 -9.586 11.240 1.00 0.00 C ATOM 755 C ILE A 55 7.713 -9.403 12.105 1.00 0.00 C ATOM 756 O ILE A 55 7.975 -10.191 13.009 1.00 0.00 O ATOM 757 CB ILE A 55 5.239 -9.385 12.091 1.00 0.00 C ATOM 758 CG1 ILE A 55 3.990 -9.623 11.255 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.227 -7.978 12.679 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.733 -9.379 12.007 1.00 0.00 C ATOM 0 H ILE A 55 5.907 -11.565 11.049 1.00 0.00 H new ATOM 0 HA ILE A 55 6.475 -8.847 10.439 1.00 0.00 H new ATOM 0 HB ILE A 55 5.248 -10.106 12.908 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.016 -8.973 10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.995 -10.650 10.889 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.330 -7.844 13.283 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.109 -7.837 13.303 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.233 -7.246 11.871 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.878 -9.565 11.357 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.688 -10.047 12.867 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.709 -8.345 12.350 1.00 0.00 H new ATOM 772 N ILE A 56 8.460 -8.389 11.816 1.00 0.00 N ATOM 773 CA ILE A 56 9.643 -8.130 12.526 1.00 0.00 C ATOM 774 C ILE A 56 9.518 -6.969 13.502 1.00 0.00 C ATOM 775 O ILE A 56 10.430 -6.742 14.307 1.00 0.00 O ATOM 776 CB ILE A 56 10.927 -8.071 11.603 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.880 -6.940 10.556 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.112 -9.392 10.877 1.00 0.00 C ATOM 779 CD1 ILE A 56 11.200 -5.567 11.081 1.00 0.00 C ATOM 0 H ILE A 56 8.255 -7.720 11.074 1.00 0.00 H new ATOM 0 HA ILE A 56 9.804 -9.002 13.160 1.00 0.00 H new ATOM 0 HB ILE A 56 11.765 -7.869 12.271 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.581 -7.178 9.756 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.885 -6.919 10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.999 -9.339 10.245 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.233 -10.194 11.606 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.237 -9.593 10.259 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.140 -4.843 10.268 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.485 -5.299 11.859 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.207 -5.562 11.497 1.00 0.00 H new ATOM 791 N GLU A 57 8.372 -6.269 13.483 1.00 0.00 N ATOM 792 CA GLU A 57 8.173 -5.125 14.380 1.00 0.00 C ATOM 793 C GLU A 57 6.740 -4.681 14.352 1.00 0.00 C ATOM 794 O GLU A 57 6.100 -4.763 13.320 1.00 0.00 O ATOM 795 CB GLU A 57 9.136 -3.971 14.021 1.00 0.00 C ATOM 796 CG GLU A 57 9.083 -2.764 14.938 1.00 0.00 C ATOM 797 CD GLU A 57 10.289 -1.881 14.765 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.348 -2.200 15.359 1.00 0.00 O ATOM 799 OE2 GLU A 57 10.217 -0.877 14.036 1.00 0.00 O ATOM 0 H GLU A 57 7.584 -6.472 12.868 1.00 0.00 H new ATOM 0 HA GLU A 57 8.405 -5.436 15.399 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.155 -4.359 14.019 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.918 -3.643 13.005 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.179 -2.190 14.733 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.021 -3.096 15.974 1.00 0.00 H new ATOM 806 N ILE A 58 6.244 -4.271 15.503 1.00 0.00 N ATOM 807 CA ILE A 58 4.892 -3.783 15.680 1.00 0.00 C ATOM 808 C ILE A 58 4.940 -2.582 16.597 1.00 0.00 C ATOM 809 O ILE A 58 5.533 -2.656 17.664 1.00 0.00 O ATOM 810 CB ILE A 58 3.991 -4.839 16.375 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.862 -6.101 15.534 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.604 -4.252 16.661 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.282 -7.266 16.275 1.00 0.00 C ATOM 0 H ILE A 58 6.788 -4.269 16.366 1.00 0.00 H new ATOM 0 HA ILE A 58 4.486 -3.548 14.696 1.00 0.00 H new ATOM 0 HB ILE A 58 4.465 -5.110 17.318 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.237 -5.886 14.667 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.847 -6.377 15.156 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.984 -5.004 17.148 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.703 -3.385 17.314 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.137 -3.949 15.724 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.222 -8.127 15.609 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.918 -7.509 17.126 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.283 -7.011 16.630 1.00 0.00 H new ATOM 825 N ASN A 59 4.397 -1.467 16.138 1.00 0.00 N ATOM 826 CA ASN A 59 4.200 -0.233 16.943 1.00 0.00 C ATOM 827 C ASN A 59 5.543 0.426 17.355 1.00 0.00 C ATOM 828 O ASN A 59 5.568 1.454 18.023 1.00 0.00 O ATOM 829 CB ASN A 59 3.315 -0.548 18.190 1.00 0.00 C ATOM 830 CG ASN A 59 2.704 0.670 18.872 1.00 0.00 C ATOM 831 OD1 ASN A 59 3.289 1.278 19.769 1.00 0.00 O ATOM 832 ND2 ASN A 59 1.497 1.003 18.483 1.00 0.00 N ATOM 0 H ASN A 59 4.068 -1.374 15.177 1.00 0.00 H new ATOM 0 HA ASN A 59 3.683 0.494 16.317 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.510 -1.217 17.885 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.920 -1.088 18.919 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.016 1.786 18.926 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.039 0.479 17.737 1.00 0.00 H new ATOM 839 N GLY A 60 6.643 -0.134 16.896 1.00 0.00 N ATOM 840 CA GLY A 60 7.940 0.387 17.254 1.00 0.00 C ATOM 841 C GLY A 60 8.745 -0.602 18.075 1.00 0.00 C ATOM 842 O GLY A 60 9.877 -0.318 18.474 1.00 0.00 O ATOM 0 H GLY A 60 6.663 -0.945 16.278 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.491 0.639 16.348 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.816 1.311 17.819 1.00 0.00 H new ATOM 846 N GLN A 61 8.167 -1.756 18.356 1.00 0.00 N ATOM 847 CA GLN A 61 8.871 -2.795 19.075 1.00 0.00 C ATOM 848 C GLN A 61 9.053 -3.997 18.199 1.00 0.00 C ATOM 849 O GLN A 61 8.101 -4.476 17.579 1.00 0.00 O ATOM 850 CB GLN A 61 8.231 -3.137 20.447 1.00 0.00 C ATOM 851 CG GLN A 61 6.769 -3.545 20.419 1.00 0.00 C ATOM 852 CD GLN A 61 6.219 -3.853 21.806 1.00 0.00 C ATOM 853 OE1 GLN A 61 6.668 -3.305 22.809 1.00 0.00 O ATOM 854 NE2 GLN A 61 5.258 -4.723 21.874 1.00 0.00 N ATOM 0 H GLN A 61 7.210 -1.995 18.095 1.00 0.00 H new ATOM 0 HA GLN A 61 9.859 -2.409 19.326 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.804 -3.945 20.901 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.333 -2.269 21.099 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.181 -2.745 19.969 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.653 -4.423 19.783 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.906 -5.162 21.023 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.855 -4.968 22.778 1.00 0.00 H new ATOM 863 N SER A 62 10.281 -4.428 18.074 1.00 0.00 N ATOM 864 CA SER A 62 10.615 -5.550 17.252 1.00 0.00 C ATOM 865 C SER A 62 10.094 -6.827 17.914 1.00 0.00 C ATOM 866 O SER A 62 10.604 -7.268 18.944 1.00 0.00 O ATOM 867 CB SER A 62 12.121 -5.584 17.068 1.00 0.00 C ATOM 868 OG SER A 62 12.610 -4.278 16.703 1.00 0.00 O ATOM 0 H SER A 62 11.080 -4.004 18.545 1.00 0.00 H new ATOM 0 HA SER A 62 10.151 -5.469 16.269 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.599 -5.914 17.990 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.384 -6.307 16.296 1.00 0.00 H new ATOM 0 HG SER A 62 11.906 -3.785 16.231 1.00 0.00 H new ATOM 874 N VAL A 63 9.077 -7.415 17.322 1.00 0.00 N ATOM 875 CA VAL A 63 8.378 -8.529 17.909 1.00 0.00 C ATOM 876 C VAL A 63 8.813 -9.816 17.275 1.00 0.00 C ATOM 877 O VAL A 63 8.188 -10.853 17.426 1.00 0.00 O ATOM 878 CB VAL A 63 6.878 -8.340 17.724 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.439 -7.056 18.443 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.552 -8.289 16.234 1.00 0.00 C ATOM 0 H VAL A 63 8.712 -7.129 16.414 1.00 0.00 H new ATOM 0 HA VAL A 63 8.612 -8.573 18.973 1.00 0.00 H new ATOM 0 HB VAL A 63 6.333 -9.178 18.159 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.366 -6.915 18.314 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.669 -7.137 19.505 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.970 -6.203 18.021 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.479 -8.154 16.101 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.083 -7.455 15.774 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.862 -9.221 15.762 1.00 0.00 H new ATOM 890 N VAL A 64 9.940 -9.751 16.634 1.00 0.00 N ATOM 891 CA VAL A 64 10.479 -10.873 15.924 1.00 0.00 C ATOM 892 C VAL A 64 11.075 -11.890 16.922 1.00 0.00 C ATOM 893 O VAL A 64 11.446 -13.006 16.570 1.00 0.00 O ATOM 894 CB VAL A 64 11.527 -10.384 14.912 1.00 0.00 C ATOM 895 CG1 VAL A 64 12.859 -10.043 15.544 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.637 -11.312 13.743 1.00 0.00 C ATOM 0 H VAL A 64 10.517 -8.911 16.588 1.00 0.00 H new ATOM 0 HA VAL A 64 9.688 -11.379 15.371 1.00 0.00 H new ATOM 0 HB VAL A 64 11.165 -9.434 14.519 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.552 -9.705 14.773 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.720 -9.251 16.280 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.266 -10.927 16.035 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.387 -10.935 13.048 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.930 -12.302 14.091 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.674 -11.376 13.237 1.00 0.00 H new ATOM 906 N ALA A 65 11.136 -11.467 18.166 1.00 0.00 N ATOM 907 CA ALA A 65 11.617 -12.260 19.262 1.00 0.00 C ATOM 908 C ALA A 65 10.552 -12.261 20.344 1.00 0.00 C ATOM 909 O ALA A 65 10.823 -12.463 21.533 1.00 0.00 O ATOM 910 CB ALA A 65 12.898 -11.657 19.783 1.00 0.00 C ATOM 0 H ALA A 65 10.841 -10.531 18.445 1.00 0.00 H new ATOM 0 HA ALA A 65 11.819 -13.283 18.945 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.269 -12.254 20.616 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.643 -11.642 18.987 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.709 -10.639 20.123 1.00 0.00 H new ATOM 916 N THR A 66 9.347 -12.003 19.921 1.00 0.00 N ATOM 917 CA THR A 66 8.210 -11.981 20.749 1.00 0.00 C ATOM 918 C THR A 66 7.370 -13.220 20.383 1.00 0.00 C ATOM 919 O THR A 66 7.199 -13.512 19.203 1.00 0.00 O ATOM 920 CB THR A 66 7.439 -10.664 20.467 1.00 0.00 C ATOM 921 OG1 THR A 66 8.303 -9.545 20.741 1.00 0.00 O ATOM 922 CG2 THR A 66 6.210 -10.533 21.311 1.00 0.00 C ATOM 0 H THR A 66 9.138 -11.795 18.944 1.00 0.00 H new ATOM 0 HA THR A 66 8.456 -12.012 21.810 1.00 0.00 H new ATOM 0 HB THR A 66 7.131 -10.682 19.422 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.773 -8.721 20.766 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.706 -9.595 21.077 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.538 -11.367 21.108 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.490 -10.541 22.365 1.00 0.00 H new ATOM 930 N PRO A 67 6.945 -14.013 21.369 1.00 0.00 N ATOM 931 CA PRO A 67 6.125 -15.201 21.118 1.00 0.00 C ATOM 932 C PRO A 67 4.725 -14.856 20.570 1.00 0.00 C ATOM 933 O PRO A 67 4.235 -13.728 20.755 1.00 0.00 O ATOM 934 CB PRO A 67 6.027 -15.884 22.482 1.00 0.00 C ATOM 935 CG PRO A 67 6.399 -14.847 23.485 1.00 0.00 C ATOM 936 CD PRO A 67 7.266 -13.845 22.790 1.00 0.00 C ATOM 0 HA PRO A 67 6.570 -15.836 20.352 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.018 -16.256 22.661 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.698 -16.741 22.539 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.508 -14.368 23.891 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.929 -15.297 24.324 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.053 -12.831 23.129 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.322 -14.030 22.984 1.00 0.00 H new ATOM 944 N HIS A 68 4.104 -15.843 19.903 1.00 0.00 N ATOM 945 CA HIS A 68 2.777 -15.727 19.262 1.00 0.00 C ATOM 946 C HIS A 68 1.760 -14.995 20.109 1.00 0.00 C ATOM 947 O HIS A 68 1.177 -14.013 19.650 1.00 0.00 O ATOM 948 CB HIS A 68 2.220 -17.138 18.875 1.00 0.00 C ATOM 949 CG HIS A 68 0.745 -17.172 18.441 1.00 0.00 C ATOM 950 ND1 HIS A 68 0.327 -17.139 17.129 1.00 0.00 N ATOM 951 CD2 HIS A 68 -0.403 -17.248 19.179 1.00 0.00 C ATOM 952 CE1 HIS A 68 -0.987 -17.188 17.086 1.00 0.00 C ATOM 953 NE2 HIS A 68 -1.448 -17.256 18.302 1.00 0.00 N ATOM 0 H HIS A 68 4.519 -16.768 19.790 1.00 0.00 H new ATOM 0 HA HIS A 68 2.934 -15.130 18.364 1.00 0.00 H new ATOM 0 HB2 HIS A 68 2.828 -17.540 18.065 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.345 -17.805 19.728 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.941 -17.085 16.316 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.470 -17.293 20.256 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.586 -17.174 16.188 1.00 0.00 H new ATOM 962 N GLU A 69 1.544 -15.466 21.317 1.00 0.00 N ATOM 963 CA GLU A 69 0.499 -14.927 22.141 1.00 0.00 C ATOM 964 C GLU A 69 0.781 -13.500 22.517 1.00 0.00 C ATOM 965 O GLU A 69 -0.131 -12.681 22.544 1.00 0.00 O ATOM 966 CB GLU A 69 0.214 -15.798 23.347 1.00 0.00 C ATOM 967 CG GLU A 69 -0.944 -15.302 24.194 1.00 0.00 C ATOM 968 CD GLU A 69 -1.329 -16.262 25.271 1.00 0.00 C ATOM 969 OE1 GLU A 69 -0.695 -16.258 26.355 1.00 0.00 O ATOM 970 OE2 GLU A 69 -2.286 -17.030 25.068 1.00 0.00 O ATOM 0 H GLU A 69 2.080 -16.220 21.745 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.415 -14.926 21.547 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.001 -16.812 23.010 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.110 -15.851 23.966 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.675 -14.347 24.645 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.806 -15.120 23.552 1.00 0.00 H new ATOM 977 N LYS A 70 2.037 -13.189 22.771 1.00 0.00 N ATOM 978 CA LYS A 70 2.408 -11.837 23.023 1.00 0.00 C ATOM 979 C LYS A 70 2.114 -10.986 21.829 1.00 0.00 C ATOM 980 O LYS A 70 1.426 -9.995 21.956 1.00 0.00 O ATOM 981 CB LYS A 70 3.854 -11.681 23.385 1.00 0.00 C ATOM 982 CG LYS A 70 4.065 -11.308 24.814 1.00 0.00 C ATOM 983 CD LYS A 70 5.345 -10.548 24.958 1.00 0.00 C ATOM 984 CE LYS A 70 5.569 -10.116 26.378 1.00 0.00 C ATOM 985 NZ LYS A 70 4.460 -9.289 26.892 1.00 0.00 N ATOM 0 H LYS A 70 2.804 -13.860 22.805 1.00 0.00 H new ATOM 0 HA LYS A 70 1.815 -11.515 23.879 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.376 -12.615 23.179 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.301 -10.919 22.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.231 -10.702 25.168 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.093 -12.205 25.433 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.178 -11.170 24.630 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.325 -9.673 24.309 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.686 -10.997 27.010 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.500 -9.552 26.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.777 -8.769 27.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.162 -8.613 26.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.658 -9.901 27.144 1.00 0.00 H new ATOM 999 N ILE A 71 2.600 -11.410 20.667 1.00 0.00 N ATOM 1000 CA ILE A 71 2.389 -10.688 19.406 1.00 0.00 C ATOM 1001 C ILE A 71 0.903 -10.403 19.198 1.00 0.00 C ATOM 1002 O ILE A 71 0.506 -9.266 18.908 1.00 0.00 O ATOM 1003 CB ILE A 71 2.958 -11.493 18.187 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.472 -11.646 18.319 1.00 0.00 C ATOM 1005 CG2 ILE A 71 2.623 -10.819 16.867 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.132 -12.372 17.162 1.00 0.00 C ATOM 0 H ILE A 71 3.151 -12.262 20.567 1.00 0.00 H new ATOM 0 HA ILE A 71 2.928 -9.742 19.469 1.00 0.00 H new ATOM 0 HB ILE A 71 2.490 -12.477 18.192 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.918 -10.656 18.413 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.692 -12.183 19.242 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.033 -11.405 16.045 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.541 -10.750 16.758 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.054 -9.818 16.850 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.206 -12.436 17.338 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.717 -13.377 17.079 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.948 -11.826 16.237 1.00 0.00 H new ATOM 1018 N VAL A 72 0.087 -11.413 19.430 1.00 0.00 N ATOM 1019 CA VAL A 72 -1.341 -11.286 19.269 1.00 0.00 C ATOM 1020 C VAL A 72 -1.934 -10.368 20.343 1.00 0.00 C ATOM 1021 O VAL A 72 -2.841 -9.587 20.061 1.00 0.00 O ATOM 1022 CB VAL A 72 -2.045 -12.678 19.276 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.562 -12.543 19.200 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.544 -13.507 18.107 1.00 0.00 C ATOM 0 H VAL A 72 0.396 -12.337 19.733 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.522 -10.831 18.295 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.802 -13.174 20.216 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.016 -13.534 19.207 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.920 -11.973 20.058 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.836 -12.025 18.281 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.037 -14.479 18.113 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.769 -12.992 17.173 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.466 -13.646 18.195 1.00 0.00 H new ATOM 1034 N HIS A 73 -1.365 -10.397 21.541 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.890 -9.621 22.657 1.00 0.00 C ATOM 1036 C HIS A 73 -1.580 -8.159 22.419 1.00 0.00 C ATOM 1037 O HIS A 73 -2.430 -7.292 22.603 1.00 0.00 O ATOM 1038 CB HIS A 73 -1.272 -10.088 23.996 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.942 -9.512 25.218 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.863 -10.207 25.964 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.813 -8.304 25.822 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -3.273 -9.455 26.963 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.650 -8.297 26.900 1.00 0.00 N ATOM 0 H HIS A 73 -0.538 -10.951 21.765 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.968 -9.768 22.721 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.321 -11.176 24.047 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.217 -9.816 24.011 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.167 -7.497 25.508 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.999 -9.740 27.710 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.773 -7.521 27.551 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.370 -7.920 21.978 1.00 0.00 N ATOM 1053 CA ILE A 74 0.127 -6.616 21.656 1.00 0.00 C ATOM 1054 C ILE A 74 -0.713 -6.002 20.549 1.00 0.00 C ATOM 1055 O ILE A 74 -1.204 -4.887 20.688 1.00 0.00 O ATOM 1056 CB ILE A 74 1.596 -6.740 21.240 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.404 -7.172 22.460 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.125 -5.430 20.672 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.710 -7.800 22.124 1.00 0.00 C ATOM 0 H ILE A 74 0.317 -8.659 21.830 1.00 0.00 H new ATOM 0 HA ILE A 74 0.061 -5.959 22.523 1.00 0.00 H new ATOM 0 HB ILE A 74 1.689 -7.485 20.450 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.582 -6.302 23.093 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.813 -7.876 23.045 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.170 -5.553 20.387 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.540 -5.151 19.796 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.044 -4.647 21.426 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.226 -8.080 23.042 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.541 -8.689 21.517 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.322 -7.091 21.566 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.922 -6.762 19.480 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.763 -6.309 18.372 1.00 0.00 C ATOM 1073 C LEU A 75 -3.174 -5.996 18.829 1.00 0.00 C ATOM 1074 O LEU A 75 -3.707 -4.960 18.498 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.794 -7.333 17.241 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.523 -7.454 16.416 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.646 -8.604 15.432 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.262 -6.148 15.673 1.00 0.00 C ATOM 0 H LEU A 75 -0.523 -7.692 19.355 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.316 -5.389 17.995 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.020 -8.310 17.668 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.616 -7.080 16.571 1.00 0.00 H new ATOM 0 HG LEU A 75 0.316 -7.655 17.082 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.270 -8.681 14.846 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.808 -9.534 15.977 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.489 -8.423 14.765 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.650 -6.241 15.084 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.101 -5.932 15.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.148 -5.337 16.392 1.00 0.00 H new ATOM 1090 N SER A 76 -3.749 -6.890 19.604 1.00 0.00 N ATOM 1091 CA SER A 76 -5.102 -6.749 20.125 1.00 0.00 C ATOM 1092 C SER A 76 -5.266 -5.535 21.059 1.00 0.00 C ATOM 1093 O SER A 76 -6.371 -5.018 21.219 1.00 0.00 O ATOM 1094 CB SER A 76 -5.544 -8.042 20.806 1.00 0.00 C ATOM 1095 OG SER A 76 -5.421 -9.141 19.902 1.00 0.00 O ATOM 0 H SER A 76 -3.287 -7.751 19.898 1.00 0.00 H new ATOM 0 HA SER A 76 -5.755 -6.558 19.273 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.936 -8.221 21.693 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.577 -7.951 21.141 1.00 0.00 H new ATOM 0 HG SER A 76 -4.486 -9.434 19.868 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.185 -5.119 21.698 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.232 -3.987 22.623 1.00 0.00 C ATOM 1103 C ASN A 77 -3.849 -2.675 21.959 1.00 0.00 C ATOM 1104 O ASN A 77 -4.168 -1.602 22.478 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.342 -4.210 23.868 1.00 0.00 C ATOM 1106 CG ASN A 77 -3.902 -5.205 24.889 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -4.619 -6.196 24.444 1.00 0.00 O flip ATOM 1108 ND2 ASN A 77 -3.661 -5.073 26.087 1.00 0.00 N flip ATOM 0 H ASN A 77 -3.263 -5.544 21.597 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.272 -3.921 22.943 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.364 -4.560 23.539 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.188 -3.251 24.363 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.096 -4.287 26.410 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.026 -5.749 26.758 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.182 -2.743 20.830 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.707 -1.543 20.154 1.00 0.00 C ATOM 1117 C ALA A 78 -3.639 -1.141 19.033 1.00 0.00 C ATOM 1118 O ALA A 78 -4.071 -1.979 18.253 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.279 -1.738 19.620 1.00 0.00 C ATOM 0 H ALA A 78 -2.952 -3.615 20.354 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.691 -0.738 20.889 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.950 -0.827 19.120 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.607 -1.960 20.449 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.266 -2.566 18.911 1.00 0.00 H new ATOM 1125 N VAL A 79 -3.968 0.141 18.963 1.00 0.00 N ATOM 1126 CA VAL A 79 -4.809 0.654 17.900 1.00 0.00 C ATOM 1127 C VAL A 79 -4.180 1.955 17.350 1.00 0.00 C ATOM 1128 O VAL A 79 -3.127 2.397 17.849 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.307 0.892 18.354 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.806 -0.175 19.213 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.577 2.234 18.942 1.00 0.00 C ATOM 0 H VAL A 79 -3.662 0.845 19.635 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.857 -0.100 17.114 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.872 0.867 17.422 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.837 0.037 19.495 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.765 -1.123 18.677 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.190 -0.238 20.110 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.628 2.304 19.223 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.955 2.376 19.826 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.346 3.006 18.208 1.00 0.00 H new ATOM 1141 N GLY A 80 -4.804 2.567 16.366 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.273 3.770 15.773 1.00 0.00 C ATOM 1143 C GLY A 80 -3.331 3.428 14.661 1.00 0.00 C ATOM 1144 O GLY A 80 -3.500 2.383 14.023 1.00 0.00 O ATOM 0 H GLY A 80 -5.683 2.247 15.960 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.088 4.386 15.392 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.755 4.359 16.530 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.347 4.274 14.427 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.346 4.011 13.421 1.00 0.00 C ATOM 1150 C GLU A 81 -0.327 3.050 13.980 1.00 0.00 C ATOM 1151 O GLU A 81 0.381 3.361 14.942 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.653 5.292 12.976 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.555 6.304 12.309 1.00 0.00 C ATOM 1154 CD GLU A 81 -0.786 7.509 11.860 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -0.215 7.486 10.759 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -0.716 8.497 12.609 1.00 0.00 O ATOM 0 H GLU A 81 -2.222 5.155 14.926 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.837 3.577 12.550 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.189 5.758 13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.150 5.033 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.048 5.845 11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.339 6.608 13.003 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.272 1.891 13.420 1.00 0.00 N ATOM 1164 CA ILE A 82 0.637 0.884 13.880 1.00 0.00 C ATOM 1165 C ILE A 82 1.603 0.546 12.774 1.00 0.00 C ATOM 1166 O ILE A 82 1.200 0.077 11.703 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.137 -0.384 14.314 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.133 -0.022 15.424 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.828 -1.474 14.791 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.094 -1.124 15.773 1.00 0.00 C ATOM 0 H ILE A 82 -0.853 1.609 12.630 1.00 0.00 H new ATOM 0 HA ILE A 82 1.186 1.263 14.742 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.684 -0.775 13.456 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.577 0.257 16.319 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.701 0.856 15.115 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.262 -2.356 15.091 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.508 -1.738 13.981 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.402 -1.105 15.641 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.762 -0.787 16.565 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.679 -1.389 14.892 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.538 -1.997 16.115 1.00 0.00 H new ATOM 1182 N HIS A 83 2.868 0.790 13.027 1.00 0.00 N ATOM 1183 CA HIS A 83 3.909 0.507 12.056 1.00 0.00 C ATOM 1184 C HIS A 83 4.355 -0.859 12.332 1.00 0.00 C ATOM 1185 O HIS A 83 4.826 -1.159 13.430 1.00 0.00 O ATOM 1186 CB HIS A 83 5.121 1.455 12.178 1.00 0.00 C ATOM 1187 CG HIS A 83 4.809 2.909 12.088 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.961 3.774 13.143 1.00 0.00 N ATOM 1189 CD2 HIS A 83 4.347 3.648 11.070 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.595 4.976 12.775 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.215 4.930 11.521 1.00 0.00 N ATOM 0 H HIS A 83 3.207 1.187 13.903 1.00 0.00 H new ATOM 0 HA HIS A 83 3.509 0.640 11.051 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.614 1.265 13.131 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.836 1.205 11.394 1.00 0.00 H new ATOM 0 HD2 HIS A 83 4.121 3.294 10.075 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.605 5.857 13.399 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.877 5.721 10.973 1.00 0.00 H new ATOM 1200 N MET A 84 4.139 -1.681 11.416 1.00 0.00 N ATOM 1201 CA MET A 84 4.483 -3.007 11.546 1.00 0.00 C ATOM 1202 C MET A 84 5.407 -3.316 10.403 1.00 0.00 C ATOM 1203 O MET A 84 5.176 -2.859 9.306 1.00 0.00 O ATOM 1204 CB MET A 84 3.222 -3.777 11.420 1.00 0.00 C ATOM 1205 CG MET A 84 3.175 -5.006 12.239 1.00 0.00 C ATOM 1206 SD MET A 84 1.638 -5.882 12.038 1.00 0.00 S ATOM 1207 CE MET A 84 1.685 -6.051 10.281 1.00 0.00 C ATOM 0 H MET A 84 3.703 -1.442 10.525 1.00 0.00 H new ATOM 0 HA MET A 84 4.970 -3.247 12.491 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.388 -3.134 11.702 1.00 0.00 H new ATOM 0 HB3 MET A 84 3.077 -4.046 10.374 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.003 -5.658 11.962 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.310 -4.747 13.289 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.119 -6.934 9.985 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.246 -5.167 9.819 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.719 -6.156 9.953 1.00 0.00 H new ATOM 1217 N LYS A 85 6.443 -4.047 10.624 1.00 0.00 N ATOM 1218 CA LYS A 85 7.359 -4.294 9.573 1.00 0.00 C ATOM 1219 C LYS A 85 7.450 -5.719 9.361 1.00 0.00 C ATOM 1220 O LYS A 85 7.541 -6.473 10.301 1.00 0.00 O ATOM 1221 CB LYS A 85 8.699 -3.653 9.828 1.00 0.00 C ATOM 1222 CG LYS A 85 8.584 -2.158 9.934 1.00 0.00 C ATOM 1223 CD LYS A 85 9.790 -1.464 9.388 1.00 0.00 C ATOM 1224 CE LYS A 85 11.025 -1.640 10.257 1.00 0.00 C ATOM 1225 NZ LYS A 85 12.121 -0.785 9.771 1.00 0.00 N ATOM 0 H LYS A 85 6.674 -4.481 11.518 1.00 0.00 H new ATOM 0 HA LYS A 85 6.993 -3.830 8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.125 -4.052 10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.386 -3.910 9.021 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.698 -1.823 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.446 -1.878 10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.999 -1.845 8.388 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.574 -0.401 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.789 -1.387 11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.338 -2.684 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.958 -0.916 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.356 -1.045 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.824 0.211 9.803 1.00 0.00 H new ATOM 1239 N THR A 86 7.353 -6.099 8.152 1.00 0.00 N ATOM 1240 CA THR A 86 7.311 -7.481 7.813 1.00 0.00 C ATOM 1241 C THR A 86 8.381 -7.806 6.793 1.00 0.00 C ATOM 1242 O THR A 86 8.833 -6.933 6.078 1.00 0.00 O ATOM 1243 CB THR A 86 5.912 -7.890 7.248 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.653 -7.239 5.981 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.786 -7.529 8.212 1.00 0.00 C ATOM 0 H THR A 86 7.299 -5.465 7.355 1.00 0.00 H new ATOM 0 HA THR A 86 7.493 -8.047 8.726 1.00 0.00 H new ATOM 0 HB THR A 86 5.937 -8.971 7.113 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.116 -6.376 5.956 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.830 -7.829 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.938 -8.047 9.159 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.785 -6.453 8.383 1.00 0.00 H new ATOM 1253 N MET A 87 8.794 -9.034 6.759 1.00 0.00 N ATOM 1254 CA MET A 87 9.742 -9.516 5.778 1.00 0.00 C ATOM 1255 C MET A 87 9.053 -10.622 5.022 1.00 0.00 C ATOM 1256 O MET A 87 8.007 -11.069 5.475 1.00 0.00 O ATOM 1257 CB MET A 87 10.983 -10.097 6.470 1.00 0.00 C ATOM 1258 CG MET A 87 11.798 -9.115 7.271 1.00 0.00 C ATOM 1259 SD MET A 87 13.260 -9.886 7.981 1.00 0.00 S ATOM 1260 CE MET A 87 14.174 -10.336 6.501 1.00 0.00 C ATOM 0 H MET A 87 8.483 -9.748 7.418 1.00 0.00 H new ATOM 0 HA MET A 87 10.059 -8.703 5.124 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.665 -10.903 7.131 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.626 -10.542 5.711 1.00 0.00 H new ATOM 0 HG2 MET A 87 12.099 -8.285 6.632 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.183 -8.697 8.068 1.00 0.00 H new ATOM 0 HE1 MET A 87 15.232 -10.437 6.743 1.00 0.00 H new ATOM 0 HE2 MET A 87 13.798 -11.284 6.115 1.00 0.00 H new ATOM 0 HE3 MET A 87 14.047 -9.561 5.745 1.00 0.00 H new ATOM 1270 N PRO A 88 9.614 -11.149 3.908 1.00 0.00 N ATOM 1271 CA PRO A 88 9.017 -12.286 3.168 1.00 0.00 C ATOM 1272 C PRO A 88 9.256 -13.612 3.906 1.00 0.00 C ATOM 1273 O PRO A 88 9.345 -14.679 3.294 1.00 0.00 O ATOM 1274 CB PRO A 88 9.780 -12.295 1.828 1.00 0.00 C ATOM 1275 CG PRO A 88 10.596 -11.048 1.814 1.00 0.00 C ATOM 1276 CD PRO A 88 10.838 -10.679 3.241 1.00 0.00 C ATOM 0 HA PRO A 88 7.938 -12.182 3.055 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.414 -13.178 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.089 -12.319 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.538 -11.208 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.072 -10.248 1.291 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.729 -11.165 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.979 -9.605 3.363 1.00 0.00 H new ATOM 1284 N ALA A 89 9.344 -13.506 5.240 1.00 0.00 N ATOM 1285 CA ALA A 89 9.584 -14.608 6.154 1.00 0.00 C ATOM 1286 C ALA A 89 10.924 -15.266 5.860 1.00 0.00 C ATOM 1287 O ALA A 89 11.110 -16.463 6.084 1.00 0.00 O ATOM 1288 CB ALA A 89 8.427 -15.594 6.109 1.00 0.00 C ATOM 0 H ALA A 89 9.245 -12.611 5.720 1.00 0.00 H new ATOM 0 HA ALA A 89 9.638 -14.224 7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.621 -16.415 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.506 -15.088 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.323 -15.987 5.098 1.00 0.00 H new ATOM 1294 N ALA A 90 11.852 -14.454 5.393 1.00 0.00 N ATOM 1295 CA ALA A 90 13.185 -14.887 5.083 1.00 0.00 C ATOM 1296 C ALA A 90 14.014 -14.845 6.349 1.00 0.00 C ATOM 1297 O ALA A 90 14.103 -15.866 7.037 1.00 0.00 O ATOM 1298 CB ALA A 90 13.789 -13.997 4.004 1.00 0.00 C ATOM 1299 OXT ALA A 90 14.497 -13.774 6.719 1.00 0.00 O ATOM 0 H ALA A 90 11.691 -13.462 5.218 1.00 0.00 H new ATOM 0 HA ALA A 90 13.168 -15.907 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.800 -14.335 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.178 -14.051 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.822 -12.967 4.358 1.00 0.00 H new