USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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 NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: B 233 LYS NZ :NH3+ -165:sc= -11.4! (180deg=-13.2!) USER MOD Set 1.2: B 234 ASN : amide:sc= -1.61! C(o=-13!,f=-36!) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 115 TYR OH : rot 180:sc= -0.0727 USER MOD Set 3.1: A 100 TYR OH : rot 16:sc= 0.38! USER MOD Set 3.2: A 117 HIS : no HE2:sc= -2.12! C(o=-1.7!,f=-19!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HE2:sc= -0.147 K(o=-0.15,f=-0.98) USER MOD Single : A 48 THR OG1 : rot 90:sc= 0.192 USER MOD Single : A 49 THR OG1 : rot -51:sc= 0.113 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= -0.184 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -5:sc= 1.63 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.39) USER MOD Single : A 62 THR OG1 : rot 147:sc= 0.861 USER MOD Single : A 63 THR OG1 : rot 144:sc= 0.808 USER MOD Single : A 66 GLN : amide:sc= -0.992 K(o=-0.99,f=-5.5!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.121 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.52 USER MOD Single : A 89 ASN : amide:sc= 0.598 K(o=0.6,f=-0.012) USER MOD Single : A 92 LYS NZ :NH3+ -107:sc= 2.38 (180deg=-4.17!) USER MOD Single : A 93 TYR OH : rot -137:sc= 1.15 USER MOD Single : A 94 ASN : amide:sc= 1.53 K(o=1.5,f=-0.18) USER MOD Single : A 95 THR OG1 : rot 172:sc= -1.24! USER MOD Single : A 96 THR OG1 : rot 104:sc= 1.32 USER MOD Single : A 98 ASN : amide:sc= -0.827 X(o=-0.83,f=-0.76) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 51:sc= 0.424! USER MOD Single : A 111 SER OG : rot 180:sc= 0.0852 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : B 229 GLN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.55) USER MOD Single : B 236 LYS NZ :NH3+ -151:sc= 0.756 (180deg=-0.149!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 1.900 6.499 -1.565 1.00 0.00 N ATOM 2 CA TYR A 44 0.657 7.304 -1.751 1.00 0.00 C ATOM 3 C TYR A 44 -0.395 6.532 -2.550 1.00 0.00 C ATOM 4 O TYR A 44 -0.056 5.764 -3.451 1.00 0.00 O ATOM 5 CB TYR A 44 1.019 8.602 -2.483 1.00 0.00 C ATOM 6 CG TYR A 44 1.479 9.713 -1.564 1.00 0.00 C ATOM 7 CD1 TYR A 44 0.561 10.535 -0.923 1.00 0.00 C ATOM 8 CD2 TYR A 44 2.831 9.938 -1.340 1.00 0.00 C ATOM 9 CE1 TYR A 44 0.977 11.550 -0.085 1.00 0.00 C ATOM 10 CE2 TYR A 44 3.254 10.953 -0.500 1.00 0.00 C ATOM 11 CZ TYR A 44 2.323 11.754 0.123 1.00 0.00 C ATOM 12 OH TYR A 44 2.739 12.764 0.957 1.00 0.00 O ATOM 0 HA TYR A 44 0.231 7.525 -0.773 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.806 8.392 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.151 8.945 -3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.495 10.377 -1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.563 9.312 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.250 12.181 0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.309 11.116 -0.334 1.00 0.00 H new ATOM 0 HH TYR A 44 3.718 12.773 0.997 1.00 0.00 H new ATOM 22 N CYS A 45 -1.670 6.731 -2.210 1.00 0.00 N ATOM 23 CA CYS A 45 -2.770 6.060 -2.888 1.00 0.00 C ATOM 24 C CYS A 45 -3.883 7.044 -3.237 1.00 0.00 C ATOM 25 O CYS A 45 -4.142 7.984 -2.489 1.00 0.00 O ATOM 26 CB CYS A 45 -3.320 4.959 -1.997 1.00 0.00 C ATOM 27 SG CYS A 45 -4.155 3.613 -2.896 1.00 0.00 S ATOM 0 H CYS A 45 -1.963 7.359 -1.461 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.392 5.631 -3.816 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.502 4.537 -1.414 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.023 5.398 -1.289 1.00 0.00 H new ATOM 32 N HIS A 46 -4.531 6.823 -4.375 1.00 0.00 N ATOM 33 CA HIS A 46 -5.616 7.697 -4.827 1.00 0.00 C ATOM 34 C HIS A 46 -6.250 7.200 -6.134 1.00 0.00 C ATOM 35 O HIS A 46 -6.595 7.997 -7.010 1.00 0.00 O ATOM 36 CB HIS A 46 -5.084 9.115 -5.021 1.00 0.00 C ATOM 37 CG HIS A 46 -3.973 9.206 -6.019 1.00 0.00 C ATOM 38 ND1 HIS A 46 -4.189 9.421 -7.360 1.00 0.00 N ATOM 39 CD2 HIS A 46 -2.634 9.110 -5.863 1.00 0.00 C ATOM 40 CE1 HIS A 46 -3.029 9.453 -7.992 1.00 0.00 C ATOM 41 NE2 HIS A 46 -2.067 9.268 -7.105 1.00 0.00 N ATOM 0 H HIS A 46 -4.326 6.047 -5.004 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.390 7.688 -4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.902 9.761 -5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.732 9.497 -4.062 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -5.102 9.538 -7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.108 8.941 -4.935 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.891 9.604 -9.052 1.00 0.00 H new ATOM 50 N ARG A 47 -6.403 5.887 -6.266 1.00 0.00 N ATOM 51 CA ARG A 47 -6.993 5.306 -7.471 1.00 0.00 C ATOM 52 C ARG A 47 -8.161 4.387 -7.119 1.00 0.00 C ATOM 53 O ARG A 47 -8.532 4.268 -5.952 1.00 0.00 O ATOM 54 CB ARG A 47 -5.934 4.522 -8.254 1.00 0.00 C ATOM 55 CG ARG A 47 -4.562 5.181 -8.269 1.00 0.00 C ATOM 56 CD ARG A 47 -3.763 4.761 -9.490 1.00 0.00 C ATOM 57 NE ARG A 47 -4.338 5.304 -10.725 1.00 0.00 N ATOM 58 CZ ARG A 47 -4.552 4.605 -11.836 1.00 0.00 C ATOM 59 NH1 ARG A 47 -4.238 3.324 -11.909 1.00 0.00 N ATOM 60 NH2 ARG A 47 -5.082 5.199 -12.885 1.00 0.00 N ATOM 0 H ARG A 47 -6.129 5.206 -5.558 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.368 6.121 -8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.842 3.525 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.276 4.395 -9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.676 6.265 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.017 4.912 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.733 5.103 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.733 3.673 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.593 6.292 -10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.824 2.854 -11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.410 2.805 -12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.325 6.189 -12.842 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.249 4.669 -13.741 1.00 0.00 H new ATOM 74 N THR A 48 -8.734 3.737 -8.134 1.00 0.00 N ATOM 75 CA THR A 48 -9.855 2.806 -7.947 1.00 0.00 C ATOM 76 C THR A 48 -11.200 3.518 -7.771 1.00 0.00 C ATOM 77 O THR A 48 -12.241 2.966 -8.124 1.00 0.00 O ATOM 78 CB THR A 48 -9.583 1.875 -6.757 1.00 0.00 C ATOM 79 OG1 THR A 48 -9.817 0.528 -7.114 1.00 0.00 O ATOM 80 CG2 THR A 48 -10.421 2.170 -5.529 1.00 0.00 C ATOM 0 H THR A 48 -8.438 3.838 -9.105 1.00 0.00 H new ATOM 0 HA THR A 48 -9.930 2.217 -8.861 1.00 0.00 H new ATOM 0 HB THR A 48 -8.538 2.053 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.991 0.134 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.166 1.467 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.223 3.187 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.478 2.069 -5.777 1.00 0.00 H new ATOM 88 N THR A 49 -11.181 4.732 -7.224 1.00 0.00 N ATOM 89 CA THR A 49 -12.411 5.499 -7.007 1.00 0.00 C ATOM 90 C THR A 49 -12.423 6.778 -7.852 1.00 0.00 C ATOM 91 O THR A 49 -12.996 7.796 -7.463 1.00 0.00 O ATOM 92 CB THR A 49 -12.569 5.826 -5.515 1.00 0.00 C ATOM 93 OG1 THR A 49 -13.905 6.185 -5.219 1.00 0.00 O ATOM 94 CG2 THR A 49 -11.679 6.954 -5.037 1.00 0.00 C ATOM 0 H THR A 49 -10.330 5.207 -6.923 1.00 0.00 H new ATOM 0 HA THR A 49 -13.258 4.890 -7.324 1.00 0.00 H new ATOM 0 HB THR A 49 -12.274 4.914 -4.996 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.205 6.875 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.848 7.125 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.635 6.688 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.913 7.862 -5.593 1.00 0.00 H new ATOM 102 N ILE A 50 -11.784 6.709 -9.019 1.00 0.00 N ATOM 103 CA ILE A 50 -11.710 7.852 -9.933 1.00 0.00 C ATOM 104 C ILE A 50 -12.753 7.759 -11.057 1.00 0.00 C ATOM 105 O ILE A 50 -13.115 8.771 -11.656 1.00 0.00 O ATOM 106 CB ILE A 50 -10.299 7.975 -10.557 1.00 0.00 C ATOM 107 CG1 ILE A 50 -9.241 8.136 -9.463 1.00 0.00 C ATOM 108 CG2 ILE A 50 -10.236 9.149 -11.524 1.00 0.00 C ATOM 109 CD1 ILE A 50 -7.831 7.873 -9.946 1.00 0.00 C ATOM 0 H ILE A 50 -11.308 5.872 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.922 8.740 -9.337 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.093 7.059 -11.112 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -9.296 9.147 -9.061 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.470 7.454 -8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.235 9.216 -11.950 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.962 9.001 -12.324 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.466 10.072 -10.991 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.133 8.005 -9.120 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.760 6.852 -10.322 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.584 8.572 -10.745 1.00 0.00 H new ATOM 121 N GLY A 51 -13.227 6.541 -11.346 1.00 0.00 N ATOM 122 CA GLY A 51 -14.214 6.351 -12.402 1.00 0.00 C ATOM 123 C GLY A 51 -15.628 6.695 -11.963 1.00 0.00 C ATOM 124 O GLY A 51 -15.965 7.866 -11.802 1.00 0.00 O ATOM 0 H GLY A 51 -12.944 5.686 -10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -13.945 6.969 -13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.185 5.314 -12.736 1.00 0.00 H new ATOM 128 N ASN A 52 -16.456 5.670 -11.770 1.00 0.00 N ATOM 129 CA ASN A 52 -17.844 5.873 -11.346 1.00 0.00 C ATOM 130 C ASN A 52 -18.159 5.066 -10.085 1.00 0.00 C ATOM 131 O ASN A 52 -17.434 4.133 -9.731 1.00 0.00 O ATOM 132 CB ASN A 52 -18.817 5.486 -12.468 1.00 0.00 C ATOM 133 CG ASN A 52 -18.430 6.063 -13.817 1.00 0.00 C ATOM 134 OD1 ASN A 52 -18.799 7.185 -14.152 1.00 0.00 O ATOM 135 ND2 ASN A 52 -17.690 5.296 -14.604 1.00 0.00 N ATOM 0 H ASN A 52 -16.193 4.693 -11.899 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.968 6.932 -11.120 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.861 4.400 -12.544 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.818 5.829 -12.207 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.407 5.632 -15.524 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.403 4.369 -14.289 1.00 0.00 H new ATOM 142 N PHE A 53 -19.247 5.435 -9.411 1.00 0.00 N ATOM 143 CA PHE A 53 -19.670 4.757 -8.187 1.00 0.00 C ATOM 144 C PHE A 53 -21.180 4.902 -7.960 1.00 0.00 C ATOM 145 O PHE A 53 -21.867 5.607 -8.702 1.00 0.00 O ATOM 146 CB PHE A 53 -18.899 5.311 -6.979 1.00 0.00 C ATOM 147 CG PHE A 53 -18.369 6.708 -7.167 1.00 0.00 C ATOM 148 CD1 PHE A 53 -19.233 7.788 -7.239 1.00 0.00 C ATOM 149 CD2 PHE A 53 -17.007 6.937 -7.273 1.00 0.00 C ATOM 150 CE1 PHE A 53 -18.748 9.071 -7.412 1.00 0.00 C ATOM 151 CE2 PHE A 53 -16.514 8.216 -7.446 1.00 0.00 C ATOM 152 CZ PHE A 53 -17.387 9.285 -7.516 1.00 0.00 C ATOM 0 H PHE A 53 -19.854 6.204 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 53 -19.447 3.696 -8.299 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -19.554 5.298 -6.108 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -18.064 4.645 -6.760 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -20.298 7.626 -7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -16.321 6.104 -7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.432 9.905 -7.466 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.450 8.380 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.006 10.286 -7.652 1.00 0.00 H new ATOM 162 N SER A 54 -21.688 4.230 -6.924 1.00 0.00 N ATOM 163 CA SER A 54 -23.106 4.280 -6.589 1.00 0.00 C ATOM 164 C SER A 54 -23.359 3.748 -5.176 1.00 0.00 C ATOM 165 O SER A 54 -23.327 4.504 -4.205 1.00 0.00 O ATOM 166 CB SER A 54 -23.928 3.509 -7.633 1.00 0.00 C ATOM 167 OG SER A 54 -25.230 3.210 -7.150 1.00 0.00 O ATOM 0 H SER A 54 -21.132 3.643 -6.302 1.00 0.00 H new ATOM 0 HA SER A 54 -23.427 5.322 -6.605 1.00 0.00 H new ATOM 0 HB2 SER A 54 -24.004 4.099 -8.546 1.00 0.00 H new ATOM 0 HB3 SER A 54 -23.413 2.584 -7.893 1.00 0.00 H new ATOM 0 HG SER A 54 -25.729 2.721 -7.837 1.00 0.00 H new ATOM 173 N GLY A 55 -23.611 2.453 -5.077 1.00 0.00 N ATOM 174 CA GLY A 55 -23.870 1.829 -3.784 1.00 0.00 C ATOM 175 C GLY A 55 -23.747 0.315 -3.817 1.00 0.00 C ATOM 176 O GLY A 55 -24.758 -0.389 -3.785 1.00 0.00 O ATOM 0 H GLY A 55 -23.642 1.813 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -23.172 2.228 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -24.872 2.099 -3.451 1.00 0.00 H new ATOM 180 N PRO A 56 -22.512 -0.221 -3.881 1.00 0.00 N ATOM 181 CA PRO A 56 -22.277 -1.668 -3.914 1.00 0.00 C ATOM 182 C PRO A 56 -22.377 -2.313 -2.527 1.00 0.00 C ATOM 183 O PRO A 56 -22.719 -1.651 -1.545 1.00 0.00 O ATOM 184 CB PRO A 56 -20.852 -1.767 -4.464 1.00 0.00 C ATOM 185 CG PRO A 56 -20.180 -0.515 -4.010 1.00 0.00 C ATOM 186 CD PRO A 56 -21.249 0.545 -3.923 1.00 0.00 C ATOM 0 HA PRO A 56 -23.020 -2.196 -4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -20.341 -2.651 -4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -20.852 -1.844 -5.551 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -19.702 -0.662 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -19.399 -0.220 -4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -21.127 1.162 -3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -21.217 1.215 -4.782 1.00 0.00 H new ATOM 194 N TYR A 57 -22.081 -3.611 -2.452 1.00 0.00 N ATOM 195 CA TYR A 57 -22.144 -4.342 -1.183 1.00 0.00 C ATOM 196 C TYR A 57 -20.876 -5.170 -0.949 1.00 0.00 C ATOM 197 O TYR A 57 -20.551 -6.060 -1.739 1.00 0.00 O ATOM 198 CB TYR A 57 -23.377 -5.250 -1.163 1.00 0.00 C ATOM 199 CG TYR A 57 -24.628 -4.562 -0.663 1.00 0.00 C ATOM 200 CD1 TYR A 57 -25.361 -3.719 -1.490 1.00 0.00 C ATOM 201 CD2 TYR A 57 -25.077 -4.756 0.638 1.00 0.00 C ATOM 202 CE1 TYR A 57 -26.503 -3.090 -1.035 1.00 0.00 C ATOM 203 CE2 TYR A 57 -26.220 -4.129 1.098 1.00 0.00 C ATOM 204 CZ TYR A 57 -26.927 -3.299 0.259 1.00 0.00 C ATOM 205 OH TYR A 57 -28.064 -2.676 0.717 1.00 0.00 O ATOM 0 H TYR A 57 -21.796 -4.177 -3.251 1.00 0.00 H new ATOM 0 HA TYR A 57 -22.219 -3.612 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -23.557 -5.626 -2.170 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -23.171 -6.115 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -25.032 -3.553 -2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -24.524 -5.407 1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -27.061 -2.438 -1.690 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -26.556 -4.290 2.112 1.00 0.00 H new ATOM 0 HH TYR A 57 -28.224 -2.931 1.650 1.00 0.00 H new ATOM 215 N THR A 58 -20.163 -4.867 0.141 1.00 0.00 N ATOM 216 CA THR A 58 -18.922 -5.571 0.496 1.00 0.00 C ATOM 217 C THR A 58 -17.822 -5.293 -0.530 1.00 0.00 C ATOM 218 O THR A 58 -17.727 -5.948 -1.570 1.00 0.00 O ATOM 219 CB THR A 58 -19.168 -7.083 0.668 1.00 0.00 C ATOM 220 OG1 THR A 58 -19.223 -7.765 -0.573 1.00 0.00 O ATOM 221 CG2 THR A 58 -20.445 -7.406 1.410 1.00 0.00 C ATOM 0 H THR A 58 -20.426 -4.133 0.799 1.00 0.00 H new ATOM 0 HA THR A 58 -18.580 -5.187 1.457 1.00 0.00 H new ATOM 0 HB THR A 58 -18.313 -7.421 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 58 -19.167 -7.116 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 58 -20.553 -8.487 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 58 -20.408 -6.966 2.407 1.00 0.00 H new ATOM 0 HG23 THR A 58 -21.296 -6.997 0.865 1.00 0.00 H new ATOM 229 N TYR A 59 -17.010 -4.280 -0.236 1.00 0.00 N ATOM 230 CA TYR A 59 -15.928 -3.867 -1.134 1.00 0.00 C ATOM 231 C TYR A 59 -14.752 -3.260 -0.362 1.00 0.00 C ATOM 232 O TYR A 59 -14.942 -2.467 0.563 1.00 0.00 O ATOM 233 CB TYR A 59 -16.462 -2.843 -2.147 1.00 0.00 C ATOM 234 CG TYR A 59 -17.553 -1.959 -1.583 1.00 0.00 C ATOM 235 CD1 TYR A 59 -18.824 -2.464 -1.353 1.00 0.00 C ATOM 236 CD2 TYR A 59 -17.308 -0.634 -1.255 1.00 0.00 C ATOM 237 CE1 TYR A 59 -19.819 -1.679 -0.817 1.00 0.00 C ATOM 238 CE2 TYR A 59 -18.303 0.165 -0.721 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.555 -0.363 -0.503 1.00 0.00 C ATOM 240 OH TYR A 59 -20.546 0.426 0.032 1.00 0.00 O ATOM 0 H TYR A 59 -17.079 -3.727 0.619 1.00 0.00 H new ATOM 0 HA TYR A 59 -15.566 -4.754 -1.654 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -15.638 -2.218 -2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -16.846 -3.371 -3.020 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -19.037 -3.494 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -16.324 -0.219 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -20.802 -2.092 -0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -18.099 1.197 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 59 -20.195 1.326 0.196 1.00 0.00 H new ATOM 250 N CYS A 60 -13.540 -3.625 -0.772 1.00 0.00 N ATOM 251 CA CYS A 60 -12.316 -3.112 -0.151 1.00 0.00 C ATOM 252 C CYS A 60 -11.736 -1.978 -0.994 1.00 0.00 C ATOM 253 O CYS A 60 -10.801 -2.197 -1.765 1.00 0.00 O ATOM 254 CB CYS A 60 -11.260 -4.218 -0.021 1.00 0.00 C ATOM 255 SG CYS A 60 -11.893 -5.851 0.471 1.00 0.00 S ATOM 0 H CYS A 60 -13.376 -4.279 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.575 -2.746 0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.746 -4.320 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.515 -3.901 0.709 1.00 0.00 H new ATOM 260 N ASN A 61 -12.294 -0.777 -0.857 1.00 0.00 N ATOM 261 CA ASN A 61 -11.830 0.383 -1.628 1.00 0.00 C ATOM 262 C ASN A 61 -10.332 0.643 -1.433 1.00 0.00 C ATOM 263 O ASN A 61 -9.685 0.021 -0.583 1.00 0.00 O ATOM 264 CB ASN A 61 -12.628 1.635 -1.248 1.00 0.00 C ATOM 265 CG ASN A 61 -13.565 2.076 -2.352 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.347 3.101 -2.994 1.00 0.00 O ATOM 267 ND2 ASN A 61 -14.613 1.300 -2.582 1.00 0.00 N ATOM 0 H ASN A 61 -13.067 -0.578 -0.222 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.994 0.153 -2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.204 1.436 -0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.938 2.446 -1.014 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.277 1.545 -3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.756 0.458 -2.025 1.00 0.00 H new ATOM 274 N THR A 62 -9.796 1.567 -2.235 1.00 0.00 N ATOM 275 CA THR A 62 -8.376 1.930 -2.170 1.00 0.00 C ATOM 276 C THR A 62 -7.890 2.012 -0.720 1.00 0.00 C ATOM 277 O THR A 62 -8.546 2.618 0.129 1.00 0.00 O ATOM 278 CB THR A 62 -8.137 3.246 -2.901 1.00 0.00 C ATOM 279 OG1 THR A 62 -7.620 3.004 -4.196 1.00 0.00 O ATOM 280 CG2 THR A 62 -7.179 4.185 -2.205 1.00 0.00 C ATOM 0 H THR A 62 -10.326 2.080 -2.940 1.00 0.00 H new ATOM 0 HA THR A 62 -7.799 1.148 -2.664 1.00 0.00 H new ATOM 0 HB THR A 62 -9.115 3.726 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.941 3.696 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.068 5.095 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.569 4.437 -1.219 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.208 3.701 -2.099 1.00 0.00 H new ATOM 288 N THR A 63 -6.749 1.386 -0.439 1.00 0.00 N ATOM 289 CA THR A 63 -6.195 1.373 0.915 1.00 0.00 C ATOM 290 C THR A 63 -4.690 1.648 0.917 1.00 0.00 C ATOM 291 O THR A 63 -3.968 1.244 0.001 1.00 0.00 O ATOM 292 CB THR A 63 -6.517 0.027 1.585 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.244 0.234 2.783 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.306 -0.813 1.933 1.00 0.00 C ATOM 0 H THR A 63 -6.191 0.882 -1.128 1.00 0.00 H new ATOM 0 HA THR A 63 -6.658 2.177 1.487 1.00 0.00 H new ATOM 0 HB THR A 63 -7.095 -0.518 0.839 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.908 -0.479 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.630 -1.743 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.747 -1.039 1.025 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.668 -0.262 2.624 1.00 0.00 H new ATOM 302 N LEU A 64 -4.223 2.338 1.958 1.00 0.00 N ATOM 303 CA LEU A 64 -2.802 2.672 2.095 1.00 0.00 C ATOM 304 C LEU A 64 -2.108 1.755 3.111 1.00 0.00 C ATOM 305 O LEU A 64 -2.762 0.966 3.793 1.00 0.00 O ATOM 306 CB LEU A 64 -2.648 4.136 2.518 1.00 0.00 C ATOM 307 CG LEU A 64 -1.361 4.824 2.048 1.00 0.00 C ATOM 308 CD1 LEU A 64 -1.676 6.162 1.398 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.404 5.019 3.213 1.00 0.00 C ATOM 0 H LEU A 64 -4.808 2.678 2.721 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.325 2.522 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.501 4.698 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.692 4.189 3.606 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.883 4.182 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.750 6.635 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.326 6.004 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.178 6.807 2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.504 5.509 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.878 5.639 3.974 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.150 4.049 3.641 1.00 0.00 H new ATOM 321 N ASP A 65 -0.783 1.868 3.198 1.00 0.00 N ATOM 322 CA ASP A 65 0.006 1.056 4.123 1.00 0.00 C ATOM 323 C ASP A 65 1.171 1.864 4.710 1.00 0.00 C ATOM 324 O ASP A 65 1.590 2.871 4.132 1.00 0.00 O ATOM 325 CB ASP A 65 0.534 -0.188 3.396 1.00 0.00 C ATOM 326 CG ASP A 65 -0.219 -1.457 3.752 1.00 0.00 C ATOM 327 OD1 ASP A 65 -0.877 -1.491 4.812 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.144 -2.424 2.962 1.00 0.00 O ATOM 0 H ASP A 65 -0.232 2.517 2.636 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.636 0.747 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.470 -0.026 2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.589 -0.320 3.636 1.00 0.00 H new ATOM 333 N GLN A 66 1.689 1.412 5.860 1.00 0.00 N ATOM 334 CA GLN A 66 2.809 2.084 6.542 1.00 0.00 C ATOM 335 C GLN A 66 3.945 2.424 5.571 1.00 0.00 C ATOM 336 O GLN A 66 4.358 3.579 5.468 1.00 0.00 O ATOM 337 CB GLN A 66 3.341 1.209 7.682 1.00 0.00 C ATOM 338 CG GLN A 66 3.652 1.989 8.955 1.00 0.00 C ATOM 339 CD GLN A 66 5.092 2.467 9.017 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.002 1.690 9.292 1.00 0.00 O ATOM 341 NE2 GLN A 66 5.306 3.750 8.765 1.00 0.00 N ATOM 0 H GLN A 66 1.350 0.579 6.342 1.00 0.00 H new ATOM 0 HA GLN A 66 2.428 3.019 6.951 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.606 0.437 7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.245 0.700 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.986 2.849 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.446 1.360 9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.522 4.363 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.254 4.125 8.796 1.00 0.00 H new ATOM 350 N ILE A 67 4.438 1.409 4.858 1.00 0.00 N ATOM 351 CA ILE A 67 5.523 1.593 3.884 1.00 0.00 C ATOM 352 C ILE A 67 5.072 2.428 2.674 1.00 0.00 C ATOM 353 O ILE A 67 5.904 2.909 1.899 1.00 0.00 O ATOM 354 CB ILE A 67 6.061 0.231 3.379 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.593 -0.610 4.540 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.157 0.436 2.344 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.602 -2.095 4.250 1.00 0.00 C ATOM 0 H ILE A 67 4.104 0.448 4.935 1.00 0.00 H new ATOM 0 HA ILE A 67 6.316 2.128 4.406 1.00 0.00 H new ATOM 0 HB ILE A 67 5.232 -0.302 2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.607 -0.287 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.983 -0.423 5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.521 -0.533 2.003 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.757 0.993 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.979 0.995 2.791 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.991 -2.632 5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.586 -2.431 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.235 -2.293 3.385 1.00 0.00 H new ATOM 369 N GLY A 68 3.756 2.599 2.513 1.00 0.00 N ATOM 370 CA GLY A 68 3.227 3.372 1.397 1.00 0.00 C ATOM 371 C GLY A 68 2.504 2.521 0.360 1.00 0.00 C ATOM 372 O GLY A 68 2.098 3.035 -0.687 1.00 0.00 O ATOM 0 H GLY A 68 3.047 2.214 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.540 4.126 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.046 3.904 0.913 1.00 0.00 H new ATOM 376 N THR A 69 2.343 1.224 0.638 1.00 0.00 N ATOM 377 CA THR A 69 1.667 0.313 -0.290 1.00 0.00 C ATOM 378 C THR A 69 0.227 0.761 -0.557 1.00 0.00 C ATOM 379 O THR A 69 -0.615 0.764 0.341 1.00 0.00 O ATOM 380 CB THR A 69 1.686 -1.124 0.251 1.00 0.00 C ATOM 381 OG1 THR A 69 3.019 -1.575 0.424 1.00 0.00 O ATOM 382 CG2 THR A 69 0.984 -2.123 -0.647 1.00 0.00 C ATOM 0 H THR A 69 2.671 0.782 1.497 1.00 0.00 H new ATOM 0 HA THR A 69 2.210 0.338 -1.235 1.00 0.00 H new ATOM 0 HB THR A 69 1.151 -1.076 1.199 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.012 -2.492 0.771 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.039 -3.115 -0.200 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.061 -1.835 -0.765 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.469 -2.138 -1.623 1.00 0.00 H new ATOM 390 N CYS A 70 -0.042 1.139 -1.804 1.00 0.00 N ATOM 391 CA CYS A 70 -1.377 1.588 -2.206 1.00 0.00 C ATOM 392 C CYS A 70 -2.187 0.426 -2.776 1.00 0.00 C ATOM 393 O CYS A 70 -1.905 -0.061 -3.875 1.00 0.00 O ATOM 394 CB CYS A 70 -1.267 2.717 -3.236 1.00 0.00 C ATOM 395 SG CYS A 70 -2.767 2.983 -4.238 1.00 0.00 S ATOM 0 H CYS A 70 0.647 1.144 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.895 1.966 -1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.026 3.643 -2.715 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.434 2.501 -3.904 1.00 0.00 H new ATOM 400 N TRP A 71 -3.189 -0.010 -2.020 1.00 0.00 N ATOM 401 CA TRP A 71 -4.051 -1.114 -2.436 1.00 0.00 C ATOM 402 C TRP A 71 -5.329 -0.582 -3.097 1.00 0.00 C ATOM 403 O TRP A 71 -5.963 0.332 -2.575 1.00 0.00 O ATOM 404 CB TRP A 71 -4.395 -1.994 -1.230 1.00 0.00 C ATOM 405 CG TRP A 71 -3.186 -2.566 -0.538 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.539 -2.057 0.555 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.476 -3.760 -0.896 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.488 -2.868 0.902 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.425 -3.915 0.026 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.629 -4.715 -1.905 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.533 -4.983 -0.028 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.742 -5.775 -1.959 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.707 -5.902 -1.026 1.00 0.00 C ATOM 0 H TRP A 71 -3.426 0.386 -1.110 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.516 -1.718 -3.169 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.969 -1.406 -0.514 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.036 -2.812 -1.558 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.815 -1.149 1.070 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.856 -2.714 1.687 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.425 -4.627 -2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.266 -5.082 0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.850 -6.518 -2.735 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.032 -6.742 -1.095 1.00 0.00 H new ATOM 424 N PRO A 72 -5.712 -1.143 -4.263 1.00 0.00 N ATOM 425 CA PRO A 72 -6.912 -0.714 -4.999 1.00 0.00 C ATOM 426 C PRO A 72 -8.205 -1.328 -4.451 1.00 0.00 C ATOM 427 O PRO A 72 -8.175 -2.106 -3.501 1.00 0.00 O ATOM 428 CB PRO A 72 -6.632 -1.224 -6.411 1.00 0.00 C ATOM 429 CG PRO A 72 -5.834 -2.465 -6.203 1.00 0.00 C ATOM 430 CD PRO A 72 -5.001 -2.231 -4.968 1.00 0.00 C ATOM 0 HA PRO A 72 -7.075 0.362 -4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.557 -1.431 -6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.080 -0.489 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.486 -3.329 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.201 -2.669 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.935 -3.129 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.981 -1.943 -5.222 1.00 0.00 H new ATOM 438 N GLN A 73 -9.338 -0.968 -5.058 1.00 0.00 N ATOM 439 CA GLN A 73 -10.644 -1.478 -4.629 1.00 0.00 C ATOM 440 C GLN A 73 -10.776 -2.992 -4.836 1.00 0.00 C ATOM 441 O GLN A 73 -10.857 -3.474 -5.967 1.00 0.00 O ATOM 442 CB GLN A 73 -11.771 -0.764 -5.376 1.00 0.00 C ATOM 443 CG GLN A 73 -13.109 -0.808 -4.652 1.00 0.00 C ATOM 444 CD GLN A 73 -14.221 -1.365 -5.516 1.00 0.00 C ATOM 445 OE1 GLN A 73 -14.797 -0.655 -6.335 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.530 -2.640 -5.340 1.00 0.00 N ATOM 0 H GLN A 73 -9.378 -0.325 -5.849 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.723 -1.277 -3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.488 0.277 -5.534 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.886 -1.217 -6.361 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.012 -1.418 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.375 0.198 -4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.027 -3.196 -4.649 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.271 -3.067 -5.896 1.00 0.00 H new ATOM 455 N SER A 74 -10.827 -3.725 -3.726 1.00 0.00 N ATOM 456 CA SER A 74 -10.980 -5.183 -3.747 1.00 0.00 C ATOM 457 C SER A 74 -12.317 -5.595 -3.118 1.00 0.00 C ATOM 458 O SER A 74 -13.222 -4.767 -2.982 1.00 0.00 O ATOM 459 CB SER A 74 -9.829 -5.845 -2.992 1.00 0.00 C ATOM 460 OG SER A 74 -9.632 -7.177 -3.436 1.00 0.00 O ATOM 0 H SER A 74 -10.764 -3.329 -2.788 1.00 0.00 H new ATOM 0 HA SER A 74 -10.964 -5.514 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.915 -5.270 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.041 -5.841 -1.923 1.00 0.00 H new ATOM 0 HG SER A 74 -8.889 -7.581 -2.940 1.00 0.00 H new ATOM 466 N ALA A 75 -12.438 -6.864 -2.720 1.00 0.00 N ATOM 467 CA ALA A 75 -13.669 -7.358 -2.091 1.00 0.00 C ATOM 468 C ALA A 75 -13.404 -8.593 -1.221 1.00 0.00 C ATOM 469 O ALA A 75 -12.473 -9.356 -1.481 1.00 0.00 O ATOM 470 CB ALA A 75 -14.725 -7.658 -3.149 1.00 0.00 C ATOM 0 H ALA A 75 -11.704 -7.566 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.045 -6.572 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.631 -8.023 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.952 -6.748 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.348 -8.417 -3.834 1.00 0.00 H new ATOM 476 N PRO A 76 -14.224 -8.799 -0.163 1.00 0.00 N ATOM 477 CA PRO A 76 -14.085 -9.931 0.766 1.00 0.00 C ATOM 478 C PRO A 76 -13.777 -11.254 0.069 1.00 0.00 C ATOM 479 O PRO A 76 -14.413 -11.612 -0.922 1.00 0.00 O ATOM 480 CB PRO A 76 -15.453 -10.005 1.464 1.00 0.00 C ATOM 481 CG PRO A 76 -16.293 -8.927 0.858 1.00 0.00 C ATOM 482 CD PRO A 76 -15.350 -7.946 0.221 1.00 0.00 C ATOM 0 HA PRO A 76 -13.247 -9.776 1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.911 -10.983 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.349 -9.859 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.978 -9.341 0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.903 -8.439 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.798 -7.452 -0.641 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.048 -7.162 0.916 1.00 0.00 H new ATOM 490 N GLY A 77 -12.796 -11.980 0.602 1.00 0.00 N ATOM 491 CA GLY A 77 -12.415 -13.267 0.030 1.00 0.00 C ATOM 492 C GLY A 77 -11.397 -13.162 -1.101 1.00 0.00 C ATOM 493 O GLY A 77 -10.715 -14.137 -1.410 1.00 0.00 O ATOM 0 H GLY A 77 -12.256 -11.701 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.004 -13.897 0.819 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.309 -13.767 -0.344 1.00 0.00 H new ATOM 497 N ALA A 78 -11.295 -11.987 -1.727 1.00 0.00 N ATOM 498 CA ALA A 78 -10.358 -11.790 -2.826 1.00 0.00 C ATOM 499 C ALA A 78 -8.955 -11.462 -2.315 1.00 0.00 C ATOM 500 O ALA A 78 -8.780 -10.615 -1.434 1.00 0.00 O ATOM 501 CB ALA A 78 -10.859 -10.691 -3.756 1.00 0.00 C ATOM 0 H ALA A 78 -11.849 -11.164 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.295 -12.724 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.150 -10.554 -4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.830 -10.973 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.956 -9.759 -3.199 1.00 0.00 H new ATOM 507 N LEU A 79 -7.961 -12.136 -2.882 1.00 0.00 N ATOM 508 CA LEU A 79 -6.568 -11.921 -2.500 1.00 0.00 C ATOM 509 C LEU A 79 -5.888 -10.944 -3.457 1.00 0.00 C ATOM 510 O LEU A 79 -5.676 -11.252 -4.631 1.00 0.00 O ATOM 511 CB LEU A 79 -5.806 -13.251 -2.474 1.00 0.00 C ATOM 512 CG LEU A 79 -4.394 -13.180 -1.888 1.00 0.00 C ATOM 513 CD1 LEU A 79 -3.958 -14.543 -1.377 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.410 -12.663 -2.927 1.00 0.00 C ATOM 0 H LEU A 79 -8.093 -12.838 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.555 -11.490 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.386 -13.973 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.741 -13.634 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.407 -12.485 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.952 -14.472 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.646 -14.878 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.963 -15.259 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.411 -12.619 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.403 -13.333 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.710 -11.665 -3.248 1.00 0.00 H new ATOM 526 N VAL A 80 -5.541 -9.768 -2.945 1.00 0.00 N ATOM 527 CA VAL A 80 -4.877 -8.747 -3.749 1.00 0.00 C ATOM 528 C VAL A 80 -3.354 -8.889 -3.667 1.00 0.00 C ATOM 529 O VAL A 80 -2.797 -9.137 -2.592 1.00 0.00 O ATOM 530 CB VAL A 80 -5.302 -7.326 -3.308 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.670 -6.954 -1.978 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.949 -6.301 -4.373 1.00 0.00 C ATOM 0 H VAL A 80 -5.709 -9.498 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.185 -8.894 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.384 -7.327 -3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.986 -5.951 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.985 -7.665 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.584 -6.979 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.257 -5.310 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.872 -6.308 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.464 -6.549 -5.301 1.00 0.00 H new ATOM 542 N GLU A 81 -2.684 -8.747 -4.809 1.00 0.00 N ATOM 543 CA GLU A 81 -1.230 -8.872 -4.871 1.00 0.00 C ATOM 544 C GLU A 81 -0.570 -7.547 -5.273 1.00 0.00 C ATOM 545 O GLU A 81 -1.063 -6.831 -6.146 1.00 0.00 O ATOM 546 CB GLU A 81 -0.842 -9.990 -5.851 1.00 0.00 C ATOM 547 CG GLU A 81 -1.024 -9.628 -7.324 1.00 0.00 C ATOM 548 CD GLU A 81 -2.461 -9.763 -7.793 1.00 0.00 C ATOM 549 OE1 GLU A 81 -3.294 -8.913 -7.411 1.00 0.00 O ATOM 550 OE2 GLU A 81 -2.749 -10.716 -8.543 1.00 0.00 O ATOM 0 H GLU A 81 -3.126 -8.545 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.867 -9.129 -3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.200 -10.260 -5.682 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.440 -10.874 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.690 -8.603 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.387 -10.270 -7.932 1.00 0.00 H new ATOM 557 N ARG A 82 0.550 -7.226 -4.628 1.00 0.00 N ATOM 558 CA ARG A 82 1.282 -5.990 -4.917 1.00 0.00 C ATOM 559 C ARG A 82 2.786 -6.186 -4.720 1.00 0.00 C ATOM 560 O ARG A 82 3.211 -7.095 -4.000 1.00 0.00 O ATOM 561 CB ARG A 82 0.783 -4.852 -4.016 1.00 0.00 C ATOM 562 CG ARG A 82 -0.023 -3.791 -4.755 1.00 0.00 C ATOM 563 CD ARG A 82 0.039 -2.444 -4.047 1.00 0.00 C ATOM 564 NE ARG A 82 1.276 -1.717 -4.367 1.00 0.00 N ATOM 565 CZ ARG A 82 1.330 -0.501 -4.909 1.00 0.00 C ATOM 566 NH1 ARG A 82 0.239 0.220 -5.089 1.00 0.00 N ATOM 567 NH2 ARG A 82 2.502 0.014 -5.235 1.00 0.00 N ATOM 0 H ARG A 82 0.972 -7.804 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 82 1.101 -5.727 -5.959 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.168 -5.274 -3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.640 -4.377 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.358 -3.686 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.061 -4.113 -4.835 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.822 -1.841 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.025 -2.596 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 82 2.161 -2.179 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.669 -0.151 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 82 0.304 1.149 -5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.356 -0.519 -5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.553 0.944 -5.650 1.00 0.00 H new ATOM 581 N PRO A 83 3.616 -5.332 -5.351 1.00 0.00 N ATOM 582 CA PRO A 83 5.079 -5.417 -5.227 1.00 0.00 C ATOM 583 C PRO A 83 5.548 -5.106 -3.803 1.00 0.00 C ATOM 584 O PRO A 83 5.160 -4.090 -3.222 1.00 0.00 O ATOM 585 CB PRO A 83 5.582 -4.354 -6.210 1.00 0.00 C ATOM 586 CG PRO A 83 4.451 -3.392 -6.339 1.00 0.00 C ATOM 587 CD PRO A 83 3.201 -4.217 -6.224 1.00 0.00 C ATOM 0 HA PRO A 83 5.456 -6.417 -5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.480 -3.862 -5.836 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.838 -4.795 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.492 -2.632 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.489 -2.869 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.381 -3.647 -5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.861 -4.572 -7.197 1.00 0.00 H new ATOM 595 N CYS A 84 6.374 -5.988 -3.240 1.00 0.00 N ATOM 596 CA CYS A 84 6.880 -5.797 -1.878 1.00 0.00 C ATOM 597 C CYS A 84 8.036 -4.788 -1.851 1.00 0.00 C ATOM 598 O CYS A 84 9.103 -5.043 -2.411 1.00 0.00 O ATOM 599 CB CYS A 84 7.331 -7.133 -1.269 1.00 0.00 C ATOM 600 SG CYS A 84 8.312 -8.190 -2.386 1.00 0.00 S ATOM 0 H CYS A 84 6.706 -6.836 -3.700 1.00 0.00 H new ATOM 0 HA CYS A 84 6.063 -5.398 -1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 84 7.920 -6.928 -0.375 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.448 -7.687 -0.949 1.00 0.00 H new ATOM 605 N PRO A 85 7.843 -3.625 -1.196 1.00 0.00 N ATOM 606 CA PRO A 85 8.886 -2.589 -1.108 1.00 0.00 C ATOM 607 C PRO A 85 10.097 -3.041 -0.282 1.00 0.00 C ATOM 608 O PRO A 85 10.327 -2.555 0.827 1.00 0.00 O ATOM 609 CB PRO A 85 8.166 -1.414 -0.436 1.00 0.00 C ATOM 610 CG PRO A 85 7.037 -2.036 0.314 1.00 0.00 C ATOM 611 CD PRO A 85 6.607 -3.226 -0.496 1.00 0.00 C ATOM 0 HA PRO A 85 9.300 -2.342 -2.086 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.834 -0.872 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.804 -0.698 -1.174 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.351 -2.337 1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.215 -1.331 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.227 -4.028 0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.813 -2.970 -1.197 1.00 0.00 H new ATOM 619 N GLU A 86 10.863 -3.981 -0.832 1.00 0.00 N ATOM 620 CA GLU A 86 12.047 -4.511 -0.154 1.00 0.00 C ATOM 621 C GLU A 86 13.212 -3.521 -0.175 1.00 0.00 C ATOM 622 O GLU A 86 14.099 -3.584 0.685 1.00 0.00 O ATOM 623 CB GLU A 86 12.488 -5.824 -0.809 1.00 0.00 C ATOM 624 CG GLU A 86 12.683 -6.952 0.181 1.00 0.00 C ATOM 625 CD GLU A 86 13.957 -7.732 -0.045 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.189 -8.192 -1.181 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.737 -7.863 0.926 1.00 0.00 O ATOM 0 H GLU A 86 10.685 -4.393 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 86 11.770 -4.686 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.743 -6.122 -1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.421 -5.658 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.690 -6.542 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.833 -7.632 0.119 1.00 0.00 H new ATOM 634 N TYR A 87 13.219 -2.630 -1.168 1.00 0.00 N ATOM 635 CA TYR A 87 14.292 -1.645 -1.318 1.00 0.00 C ATOM 636 C TYR A 87 13.985 -0.356 -0.552 1.00 0.00 C ATOM 637 O TYR A 87 13.083 0.395 -0.921 1.00 0.00 O ATOM 638 CB TYR A 87 14.522 -1.308 -2.802 1.00 0.00 C ATOM 639 CG TYR A 87 14.497 -2.493 -3.753 1.00 0.00 C ATOM 640 CD1 TYR A 87 14.650 -3.800 -3.300 1.00 0.00 C ATOM 641 CD2 TYR A 87 14.323 -2.293 -5.116 1.00 0.00 C ATOM 642 CE1 TYR A 87 14.629 -4.867 -4.179 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.303 -3.355 -6.000 1.00 0.00 C ATOM 644 CZ TYR A 87 14.456 -4.638 -5.527 1.00 0.00 C ATOM 645 OH TYR A 87 14.443 -5.696 -6.405 1.00 0.00 O ATOM 0 H TYR A 87 12.493 -2.570 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 87 15.195 -2.092 -0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 87 13.760 -0.595 -3.117 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.486 -0.808 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 87 14.787 -3.984 -2.245 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.201 -1.288 -5.493 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.748 -5.875 -3.811 1.00 0.00 H new ATOM 0 HE2 TYR A 87 14.168 -3.179 -7.057 1.00 0.00 H new ATOM 0 HH TYR A 87 14.310 -5.363 -7.317 1.00 0.00 H new ATOM 655 N PHE A 88 14.758 -0.097 0.503 1.00 0.00 N ATOM 656 CA PHE A 88 14.588 1.113 1.313 1.00 0.00 C ATOM 657 C PHE A 88 15.923 1.850 1.479 1.00 0.00 C ATOM 658 O PHE A 88 16.265 2.309 2.572 1.00 0.00 O ATOM 659 CB PHE A 88 13.998 0.757 2.682 1.00 0.00 C ATOM 660 CG PHE A 88 12.613 1.296 2.891 1.00 0.00 C ATOM 661 CD1 PHE A 88 12.378 2.662 2.898 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.546 0.435 3.074 1.00 0.00 C ATOM 663 CE1 PHE A 88 11.104 3.159 3.086 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.270 0.925 3.261 1.00 0.00 C ATOM 665 CZ PHE A 88 10.047 2.288 3.268 1.00 0.00 C ATOM 0 H PHE A 88 15.510 -0.710 0.818 1.00 0.00 H new ATOM 0 HA PHE A 88 13.896 1.778 0.796 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.978 -0.327 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.652 1.144 3.463 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.202 3.346 2.755 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.714 -0.632 3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.934 4.226 3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.445 0.242 3.402 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.048 2.672 3.415 1.00 0.00 H new ATOM 675 N ASN A 89 16.676 1.948 0.380 1.00 0.00 N ATOM 676 CA ASN A 89 17.981 2.616 0.385 1.00 0.00 C ATOM 677 C ASN A 89 18.644 2.518 -0.996 1.00 0.00 C ATOM 678 O ASN A 89 18.636 3.473 -1.772 1.00 0.00 O ATOM 679 CB ASN A 89 18.882 1.991 1.466 1.00 0.00 C ATOM 680 CG ASN A 89 19.513 3.031 2.365 1.00 0.00 C ATOM 681 OD1 ASN A 89 20.664 3.411 2.177 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.760 3.496 3.347 1.00 0.00 N ATOM 0 H ASN A 89 16.403 1.572 -0.528 1.00 0.00 H new ATOM 0 HA ASN A 89 17.836 3.672 0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.293 1.301 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.666 1.405 0.987 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.132 4.199 3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.807 3.151 3.466 1.00 0.00 H new ATOM 689 N GLY A 90 19.200 1.344 -1.287 1.00 0.00 N ATOM 690 CA GLY A 90 19.856 1.098 -2.572 1.00 0.00 C ATOM 691 C GLY A 90 20.400 -0.320 -2.674 1.00 0.00 C ATOM 692 O GLY A 90 21.401 -0.567 -3.352 1.00 0.00 O ATOM 0 H GLY A 90 19.210 0.547 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 90 19.146 1.273 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.671 1.809 -2.705 1.00 0.00 H new ATOM 696 N ILE A 91 19.733 -1.249 -1.992 1.00 0.00 N ATOM 697 CA ILE A 91 20.135 -2.647 -1.975 1.00 0.00 C ATOM 698 C ILE A 91 19.041 -3.537 -2.551 1.00 0.00 C ATOM 699 O ILE A 91 17.854 -3.208 -2.470 1.00 0.00 O ATOM 700 CB ILE A 91 20.433 -3.103 -0.531 1.00 0.00 C ATOM 701 CG1 ILE A 91 21.194 -4.428 -0.524 1.00 0.00 C ATOM 702 CG2 ILE A 91 19.135 -3.238 0.250 1.00 0.00 C ATOM 703 CD1 ILE A 91 21.650 -4.870 0.843 1.00 0.00 C ATOM 0 H ILE A 91 18.900 -1.050 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 91 21.033 -2.738 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 91 21.059 -2.349 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 91 20.557 -5.203 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 91 22.064 -4.338 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 91 19.355 -3.560 1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 91 18.624 -2.275 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.494 -3.975 -0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 91 22.181 -5.818 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 91 22.315 -4.117 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 91 20.784 -4.995 1.493 1.00 0.00 H new ATOM 715 N LYS A 92 19.450 -4.674 -3.105 1.00 0.00 N ATOM 716 CA LYS A 92 18.514 -5.633 -3.676 1.00 0.00 C ATOM 717 C LYS A 92 17.909 -5.107 -4.972 1.00 0.00 C ATOM 718 O LYS A 92 17.396 -3.991 -5.038 1.00 0.00 O ATOM 719 CB LYS A 92 17.420 -5.976 -2.662 1.00 0.00 C ATOM 720 CG LYS A 92 17.946 -6.103 -1.241 1.00 0.00 C ATOM 721 CD LYS A 92 16.830 -6.388 -0.257 1.00 0.00 C ATOM 722 CE LYS A 92 16.558 -5.202 0.650 1.00 0.00 C ATOM 723 NZ LYS A 92 15.472 -5.495 1.627 1.00 0.00 N ATOM 0 H LYS A 92 20.429 -4.954 -3.170 1.00 0.00 H new ATOM 0 HA LYS A 92 19.063 -6.544 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.650 -5.205 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.944 -6.912 -2.952 1.00 0.00 H new ATOM 0 HG2 LYS A 92 18.685 -6.903 -1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 92 18.456 -5.182 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.922 -6.644 -0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 92 17.093 -7.255 0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.469 -4.937 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.281 -4.338 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 14.611 -4.979 1.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.276 -6.516 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.769 -5.194 2.577 1.00 0.00 H new ATOM 737 N TYR A 93 17.999 -5.925 -6.002 1.00 0.00 N ATOM 738 CA TYR A 93 17.489 -5.577 -7.319 1.00 0.00 C ATOM 739 C TYR A 93 16.956 -6.839 -7.986 1.00 0.00 C ATOM 740 O TYR A 93 17.305 -7.157 -9.123 1.00 0.00 O ATOM 741 CB TYR A 93 18.609 -4.929 -8.160 1.00 0.00 C ATOM 742 CG TYR A 93 19.632 -4.159 -7.336 1.00 0.00 C ATOM 743 CD1 TYR A 93 20.499 -4.823 -6.473 1.00 0.00 C ATOM 744 CD2 TYR A 93 19.723 -2.775 -7.413 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.422 -4.133 -5.713 1.00 0.00 C ATOM 746 CE2 TYR A 93 20.647 -2.076 -6.655 1.00 0.00 C ATOM 747 CZ TYR A 93 21.493 -2.759 -5.806 1.00 0.00 C ATOM 748 OH TYR A 93 22.415 -2.068 -5.051 1.00 0.00 O ATOM 0 H TYR A 93 18.427 -6.850 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 93 16.678 -4.854 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.123 -5.707 -8.724 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.159 -4.253 -8.887 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.449 -5.899 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 93 19.062 -2.235 -8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 93 22.085 -4.667 -5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.705 -1.000 -6.728 1.00 0.00 H new ATOM 0 HH TYR A 93 21.993 -1.270 -4.670 1.00 0.00 H new ATOM 758 N ASN A 94 16.131 -7.572 -7.239 1.00 0.00 N ATOM 759 CA ASN A 94 15.571 -8.824 -7.722 1.00 0.00 C ATOM 760 C ASN A 94 14.117 -9.022 -7.258 1.00 0.00 C ATOM 761 O ASN A 94 13.187 -8.635 -7.962 1.00 0.00 O ATOM 762 CB ASN A 94 16.464 -9.983 -7.253 1.00 0.00 C ATOM 763 CG ASN A 94 16.011 -11.327 -7.782 1.00 0.00 C ATOM 764 OD1 ASN A 94 16.088 -11.594 -8.977 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.533 -12.181 -6.891 1.00 0.00 N ATOM 0 H ASN A 94 15.838 -7.316 -6.296 1.00 0.00 H new ATOM 0 HA ASN A 94 15.546 -8.799 -8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.489 -9.798 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.472 -10.011 -6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.211 -13.102 -7.189 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.487 -11.918 -5.907 1.00 0.00 H new ATOM 772 N THR A 95 13.938 -9.647 -6.082 1.00 0.00 N ATOM 773 CA THR A 95 12.610 -9.939 -5.522 1.00 0.00 C ATOM 774 C THR A 95 11.591 -10.235 -6.624 1.00 0.00 C ATOM 775 O THR A 95 10.572 -9.551 -6.758 1.00 0.00 O ATOM 776 CB THR A 95 12.119 -8.820 -4.577 1.00 0.00 C ATOM 777 OG1 THR A 95 10.709 -8.857 -4.431 1.00 0.00 O ATOM 778 CG2 THR A 95 12.488 -7.419 -5.006 1.00 0.00 C ATOM 0 H THR A 95 14.710 -9.963 -5.494 1.00 0.00 H new ATOM 0 HA THR A 95 12.710 -10.840 -4.917 1.00 0.00 H new ATOM 0 HB THR A 95 12.631 -9.029 -3.638 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.435 -8.221 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.101 -6.703 -4.281 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.573 -7.329 -5.061 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.057 -7.213 -5.986 1.00 0.00 H new ATOM 786 N THR A 96 11.881 -11.269 -7.416 1.00 0.00 N ATOM 787 CA THR A 96 11.011 -11.678 -8.524 1.00 0.00 C ATOM 788 C THR A 96 9.710 -12.324 -8.025 1.00 0.00 C ATOM 789 O THR A 96 9.364 -13.437 -8.429 1.00 0.00 O ATOM 790 CB THR A 96 11.757 -12.646 -9.457 1.00 0.00 C ATOM 791 OG1 THR A 96 13.137 -12.712 -9.132 1.00 0.00 O ATOM 792 CG2 THR A 96 11.660 -12.261 -10.915 1.00 0.00 C ATOM 0 H THR A 96 12.718 -11.843 -7.310 1.00 0.00 H new ATOM 0 HA THR A 96 10.741 -10.778 -9.076 1.00 0.00 H new ATOM 0 HB THR A 96 11.270 -13.610 -9.309 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.320 -13.546 -8.651 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.207 -12.984 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.614 -12.251 -11.220 1.00 0.00 H new ATOM 0 HG23 THR A 96 12.089 -11.269 -11.059 1.00 0.00 H new ATOM 800 N ARG A 97 8.985 -11.610 -7.159 1.00 0.00 N ATOM 801 CA ARG A 97 7.713 -12.094 -6.611 1.00 0.00 C ATOM 802 C ARG A 97 6.786 -10.928 -6.260 1.00 0.00 C ATOM 803 O ARG A 97 7.076 -9.771 -6.572 1.00 0.00 O ATOM 804 CB ARG A 97 7.949 -12.960 -5.365 1.00 0.00 C ATOM 805 CG ARG A 97 7.459 -14.395 -5.509 1.00 0.00 C ATOM 806 CD ARG A 97 8.500 -15.272 -6.181 1.00 0.00 C ATOM 807 NE ARG A 97 9.469 -15.806 -5.226 1.00 0.00 N ATOM 808 CZ ARG A 97 10.732 -16.073 -5.529 1.00 0.00 C ATOM 809 NH1 ARG A 97 11.169 -15.938 -6.767 1.00 0.00 N ATOM 810 NH2 ARG A 97 11.557 -16.500 -4.598 1.00 0.00 N ATOM 0 H ARG A 97 9.259 -10.688 -6.820 1.00 0.00 H new ATOM 0 HA ARG A 97 7.235 -12.702 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.015 -12.971 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.448 -12.499 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.220 -14.800 -4.525 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.538 -14.410 -6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.003 -16.097 -6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.023 -14.694 -6.943 1.00 0.00 H new ATOM 0 HE ARG A 97 9.156 -15.983 -4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 97 10.533 -15.626 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.142 -16.146 -6.990 1.00 0.00 H new ATOM 0 HH21 ARG A 97 11.226 -16.626 -3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.528 -16.705 -4.832 1.00 0.00 H new ATOM 824 N ASN A 98 5.674 -11.246 -5.600 1.00 0.00 N ATOM 825 CA ASN A 98 4.693 -10.237 -5.192 1.00 0.00 C ATOM 826 C ASN A 98 4.098 -10.561 -3.817 1.00 0.00 C ATOM 827 O ASN A 98 4.383 -11.612 -3.238 1.00 0.00 O ATOM 828 CB ASN A 98 3.576 -10.149 -6.235 1.00 0.00 C ATOM 829 CG ASN A 98 3.375 -8.745 -6.770 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.333 -8.019 -7.023 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.125 -8.355 -6.946 1.00 0.00 N ATOM 0 H ASN A 98 5.427 -12.199 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 98 5.204 -9.277 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.807 -10.818 -7.064 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.644 -10.500 -5.792 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.928 -7.421 -7.304 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.357 -8.988 -6.724 1.00 0.00 H new ATOM 838 N ALA A 99 3.268 -9.652 -3.305 1.00 0.00 N ATOM 839 CA ALA A 99 2.621 -9.831 -2.008 1.00 0.00 C ATOM 840 C ALA A 99 1.229 -10.453 -2.162 1.00 0.00 C ATOM 841 O ALA A 99 0.678 -10.513 -3.264 1.00 0.00 O ATOM 842 CB ALA A 99 2.532 -8.493 -1.285 1.00 0.00 C ATOM 0 H ALA A 99 3.028 -8.779 -3.774 1.00 0.00 H new ATOM 0 HA ALA A 99 3.225 -10.517 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.048 -8.633 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.535 -8.093 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.949 -7.794 -1.884 1.00 0.00 H new ATOM 848 N TYR A 100 0.671 -10.911 -1.046 1.00 0.00 N ATOM 849 CA TYR A 100 -0.656 -11.530 -1.028 1.00 0.00 C ATOM 850 C TYR A 100 -1.515 -10.957 0.103 1.00 0.00 C ATOM 851 O TYR A 100 -1.194 -11.131 1.283 1.00 0.00 O ATOM 852 CB TYR A 100 -0.546 -13.049 -0.843 1.00 0.00 C ATOM 853 CG TYR A 100 0.532 -13.720 -1.666 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.850 -13.743 -1.231 1.00 0.00 C ATOM 855 CD2 TYR A 100 0.226 -14.351 -2.864 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.833 -14.370 -1.969 1.00 0.00 C ATOM 857 CE2 TYR A 100 1.206 -14.985 -3.608 1.00 0.00 C ATOM 858 CZ TYR A 100 2.508 -14.991 -3.155 1.00 0.00 C ATOM 859 OH TYR A 100 3.491 -15.625 -3.891 1.00 0.00 O ATOM 0 H TYR A 100 1.120 -10.866 -0.132 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.128 -11.311 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.360 -13.258 0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.506 -13.500 -1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.110 -13.262 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.793 -14.347 -3.221 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.854 -14.374 -1.618 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.952 -15.472 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 100 4.282 -15.763 -3.330 1.00 0.00 H new ATOM 869 N ARG A 101 -2.604 -10.279 -0.253 1.00 0.00 N ATOM 870 CA ARG A 101 -3.498 -9.694 0.747 1.00 0.00 C ATOM 871 C ARG A 101 -4.957 -10.068 0.473 1.00 0.00 C ATOM 872 O ARG A 101 -5.590 -9.526 -0.433 1.00 0.00 O ATOM 873 CB ARG A 101 -3.332 -8.173 0.782 1.00 0.00 C ATOM 874 CG ARG A 101 -3.260 -7.609 2.190 1.00 0.00 C ATOM 875 CD ARG A 101 -2.256 -6.476 2.283 1.00 0.00 C ATOM 876 NE ARG A 101 -2.859 -5.236 2.777 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.426 -5.096 3.968 1.00 0.00 C ATOM 878 NH1 ARG A 101 -3.453 -6.096 4.828 1.00 0.00 N ATOM 879 NH2 ARG A 101 -3.954 -3.936 4.306 1.00 0.00 N ATOM 0 H ARG A 101 -2.889 -10.121 -1.220 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.227 -10.100 1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.425 -7.901 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.167 -7.711 0.255 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.244 -7.250 2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.983 -8.400 2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.441 -6.769 2.945 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.820 -6.299 1.300 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.842 -4.423 2.162 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.034 -6.993 4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.893 -5.973 5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.925 -3.153 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.391 -3.822 5.220 1.00 0.00 H new ATOM 893 N GLU A 102 -5.486 -10.999 1.263 1.00 0.00 N ATOM 894 CA GLU A 102 -6.870 -11.446 1.103 1.00 0.00 C ATOM 895 C GLU A 102 -7.839 -10.533 1.852 1.00 0.00 C ATOM 896 O GLU A 102 -7.618 -10.190 3.017 1.00 0.00 O ATOM 897 CB GLU A 102 -7.024 -12.889 1.590 1.00 0.00 C ATOM 898 CG GLU A 102 -8.001 -13.710 0.757 1.00 0.00 C ATOM 899 CD GLU A 102 -7.635 -15.181 0.703 1.00 0.00 C ATOM 900 OE1 GLU A 102 -6.866 -15.567 -0.202 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.119 -15.944 1.564 1.00 0.00 O ATOM 0 H GLU A 102 -4.979 -11.459 2.020 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.114 -11.400 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.049 -13.375 1.576 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.361 -12.880 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.003 -13.605 1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.032 -13.311 -0.257 1.00 0.00 H new ATOM 908 N CYS A 103 -8.916 -10.146 1.173 1.00 0.00 N ATOM 909 CA CYS A 103 -9.933 -9.272 1.767 1.00 0.00 C ATOM 910 C CYS A 103 -10.771 -10.028 2.794 1.00 0.00 C ATOM 911 O CYS A 103 -11.259 -11.127 2.521 1.00 0.00 O ATOM 912 CB CYS A 103 -10.843 -8.699 0.685 1.00 0.00 C ATOM 913 SG CYS A 103 -10.320 -7.071 0.066 1.00 0.00 S ATOM 0 H CYS A 103 -9.110 -10.422 0.210 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.417 -8.455 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.883 -9.398 -0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.855 -8.618 1.081 1.00 0.00 H new ATOM 918 N LEU A 104 -10.943 -9.429 3.970 1.00 0.00 N ATOM 919 CA LEU A 104 -11.727 -10.047 5.036 1.00 0.00 C ATOM 920 C LEU A 104 -13.174 -10.276 4.601 1.00 0.00 C ATOM 921 O LEU A 104 -13.812 -9.400 4.008 1.00 0.00 O ATOM 922 CB LEU A 104 -11.685 -9.203 6.310 1.00 0.00 C ATOM 923 CG LEU A 104 -10.289 -8.777 6.779 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.356 -8.195 8.181 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.325 -9.952 6.741 1.00 0.00 C ATOM 0 H LEU A 104 -10.551 -8.518 4.208 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.277 -11.017 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.284 -8.306 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.162 -9.766 7.113 1.00 0.00 H new ATOM 0 HG LEU A 104 -9.920 -8.009 6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.357 -7.897 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.012 -7.324 8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.747 -8.945 8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.341 -9.626 7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.689 -10.743 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.253 -10.330 5.721 1.00 0.00 H new ATOM 937 N GLU A 105 -13.669 -11.467 4.910 1.00 0.00 N ATOM 938 CA GLU A 105 -15.035 -11.885 4.572 1.00 0.00 C ATOM 939 C GLU A 105 -16.075 -10.867 5.032 1.00 0.00 C ATOM 940 O GLU A 105 -17.057 -10.615 4.333 1.00 0.00 O ATOM 941 CB GLU A 105 -15.334 -13.252 5.189 1.00 0.00 C ATOM 942 CG GLU A 105 -16.460 -13.999 4.491 1.00 0.00 C ATOM 943 CD GLU A 105 -16.742 -15.348 5.118 1.00 0.00 C ATOM 944 OE1 GLU A 105 -17.462 -15.389 6.137 1.00 0.00 O ATOM 945 OE2 GLU A 105 -16.243 -16.362 4.589 1.00 0.00 O ATOM 0 H GLU A 105 -13.135 -12.180 5.406 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.097 -11.952 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.431 -13.861 5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.593 -13.119 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -17.365 -13.393 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.203 -14.137 3.441 1.00 0.00 H new ATOM 952 N ASN A 106 -15.850 -10.271 6.204 1.00 0.00 N ATOM 953 CA ASN A 106 -16.769 -9.265 6.741 1.00 0.00 C ATOM 954 C ASN A 106 -16.947 -8.094 5.765 1.00 0.00 C ATOM 955 O ASN A 106 -17.911 -7.336 5.872 1.00 0.00 O ATOM 956 CB ASN A 106 -16.269 -8.754 8.097 1.00 0.00 C ATOM 957 CG ASN A 106 -16.687 -9.656 9.240 1.00 0.00 C ATOM 958 OD1 ASN A 106 -17.776 -9.516 9.786 1.00 0.00 O ATOM 959 ND2 ASN A 106 -15.823 -10.588 9.610 1.00 0.00 N ATOM 0 H ASN A 106 -15.044 -10.466 6.797 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.741 -9.740 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.182 -8.678 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -16.656 -7.750 8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -16.053 -11.222 10.375 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -14.927 -10.672 9.130 1.00 0.00 H new ATOM 966 N GLY A 107 -16.022 -7.961 4.805 1.00 0.00 N ATOM 967 CA GLY A 107 -16.107 -6.894 3.821 1.00 0.00 C ATOM 968 C GLY A 107 -15.056 -5.818 4.006 1.00 0.00 C ATOM 969 O GLY A 107 -15.344 -4.636 3.819 1.00 0.00 O ATOM 0 H GLY A 107 -15.216 -8.577 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -16.007 -7.321 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -17.096 -6.438 3.875 1.00 0.00 H new ATOM 973 N THR A 108 -13.832 -6.211 4.365 1.00 0.00 N ATOM 974 CA THR A 108 -12.758 -5.230 4.560 1.00 0.00 C ATOM 975 C THR A 108 -11.383 -5.783 4.184 1.00 0.00 C ATOM 976 O THR A 108 -11.260 -6.846 3.573 1.00 0.00 O ATOM 977 CB THR A 108 -12.739 -4.724 6.008 1.00 0.00 C ATOM 978 OG1 THR A 108 -11.744 -3.727 6.179 1.00 0.00 O ATOM 979 CG2 THR A 108 -12.474 -5.808 7.030 1.00 0.00 C ATOM 0 H THR A 108 -13.561 -7.181 4.524 1.00 0.00 H new ATOM 0 HA THR A 108 -12.972 -4.398 3.889 1.00 0.00 H new ATOM 0 HB THR A 108 -13.739 -4.326 6.179 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.845 -3.041 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.476 -5.374 8.030 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.252 -6.569 6.964 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.503 -6.263 6.834 1.00 0.00 H new ATOM 987 N TRP A 109 -10.355 -5.034 4.566 1.00 0.00 N ATOM 988 CA TRP A 109 -8.965 -5.401 4.295 1.00 0.00 C ATOM 989 C TRP A 109 -8.355 -6.155 5.479 1.00 0.00 C ATOM 990 O TRP A 109 -8.825 -6.035 6.610 1.00 0.00 O ATOM 991 CB TRP A 109 -8.141 -4.144 4.004 1.00 0.00 C ATOM 992 CG TRP A 109 -8.294 -3.629 2.605 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.838 -2.435 2.225 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.894 -4.291 1.399 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.796 -2.310 0.857 1.00 0.00 N ATOM 996 CE2 TRP A 109 -8.218 -3.436 0.329 1.00 0.00 C ATOM 997 CE3 TRP A 109 -7.290 -5.521 1.119 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.959 -3.771 -0.991 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -7.036 -5.852 -0.199 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -7.369 -4.979 -1.237 1.00 0.00 C ATOM 0 H TRP A 109 -10.459 -4.155 5.072 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.950 -6.057 3.425 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.432 -3.360 4.703 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -7.089 -4.360 4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.242 -1.696 2.901 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -9.138 -1.511 0.323 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -7.027 -6.199 1.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -8.215 -3.100 -1.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -6.573 -6.800 -0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -7.156 -5.265 -2.256 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.302 -6.928 5.213 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.632 -7.697 6.263 1.00 0.00 C ATOM 1013 C ALA A 110 -5.732 -6.804 7.127 1.00 0.00 C ATOM 1014 O ALA A 110 -5.067 -5.893 6.624 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.837 -8.839 5.648 1.00 0.00 C ATOM 0 H ALA A 110 -6.896 -7.038 4.284 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.396 -8.115 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.343 -9.405 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.510 -9.496 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.088 -8.435 4.967 1.00 0.00 H new ATOM 1021 N SER A 111 -5.729 -7.069 8.433 1.00 0.00 N ATOM 1022 CA SER A 111 -4.931 -6.295 9.393 1.00 0.00 C ATOM 1023 C SER A 111 -3.486 -6.105 8.924 1.00 0.00 C ATOM 1024 O SER A 111 -2.967 -4.989 8.940 1.00 0.00 O ATOM 1025 CB SER A 111 -4.948 -6.976 10.767 1.00 0.00 C ATOM 1026 OG SER A 111 -6.134 -7.738 10.947 1.00 0.00 O ATOM 0 H SER A 111 -6.274 -7.820 8.857 1.00 0.00 H new ATOM 0 HA SER A 111 -5.385 -5.307 9.468 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.077 -7.624 10.866 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.874 -6.222 11.551 1.00 0.00 H new ATOM 0 HG SER A 111 -6.119 -8.163 11.830 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.835 -7.196 8.517 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.446 -7.135 8.057 1.00 0.00 C ATOM 1034 C ARG A 112 -1.262 -7.844 6.711 1.00 0.00 C ATOM 1035 O ARG A 112 -2.225 -8.336 6.117 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.518 -7.755 9.108 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.035 -9.054 9.709 1.00 0.00 C ATOM 1038 CD ARG A 112 0.022 -9.726 10.572 1.00 0.00 C ATOM 1039 NE ARG A 112 0.430 -8.873 11.695 1.00 0.00 N ATOM 1040 CZ ARG A 112 1.672 -8.791 12.165 1.00 0.00 C ATOM 1041 NH1 ARG A 112 2.632 -9.554 11.676 1.00 0.00 N ATOM 1042 NH2 ARG A 112 1.948 -7.949 13.139 1.00 0.00 N ATOM 0 H ARG A 112 -3.245 -8.130 8.496 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.188 -6.085 7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.455 -7.940 8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.363 -7.033 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.922 -8.851 10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.339 -9.731 8.910 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.367 -10.670 10.955 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.893 -9.964 9.961 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.287 -8.305 12.145 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.426 -10.217 10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.580 -9.481 12.046 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.211 -7.363 13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.899 -7.883 13.502 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.016 -7.882 6.235 1.00 0.00 N ATOM 1057 CA VAL A 113 0.309 -8.521 4.962 1.00 0.00 C ATOM 1058 C VAL A 113 1.357 -9.618 5.134 1.00 0.00 C ATOM 1059 O VAL A 113 2.395 -9.410 5.771 1.00 0.00 O ATOM 1060 CB VAL A 113 0.854 -7.512 3.933 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.570 -7.984 2.519 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.282 -6.125 4.162 1.00 0.00 C ATOM 0 H VAL A 113 0.786 -7.475 6.716 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.626 -8.949 4.600 1.00 0.00 H new ATOM 0 HB VAL A 113 1.934 -7.451 4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.963 -7.258 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.049 -8.949 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.506 -8.085 2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.687 -5.437 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.804 -6.160 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.552 -5.781 5.160 1.00 0.00 H new ATOM 1072 N ASN A 114 1.096 -10.774 4.535 1.00 0.00 N ATOM 1073 CA ASN A 114 2.028 -11.893 4.595 1.00 0.00 C ATOM 1074 C ASN A 114 3.233 -11.625 3.686 1.00 0.00 C ATOM 1075 O ASN A 114 3.398 -12.256 2.638 1.00 0.00 O ATOM 1076 CB ASN A 114 1.319 -13.191 4.192 1.00 0.00 C ATOM 1077 CG ASN A 114 0.412 -13.709 5.291 1.00 0.00 C ATOM 1078 OD1 ASN A 114 0.854 -13.934 6.415 1.00 0.00 O ATOM 1079 ND2 ASN A 114 -0.861 -13.896 4.976 1.00 0.00 N ATOM 0 H ASN A 114 0.246 -10.961 4.002 1.00 0.00 H new ATOM 0 HA ASN A 114 2.388 -12.002 5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.733 -13.018 3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.063 -13.950 3.948 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.515 -14.239 5.679 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.187 -13.697 4.030 1.00 0.00 H new ATOM 1086 N TYR A 115 4.066 -10.666 4.088 1.00 0.00 N ATOM 1087 CA TYR A 115 5.247 -10.290 3.309 1.00 0.00 C ATOM 1088 C TYR A 115 6.398 -11.287 3.498 1.00 0.00 C ATOM 1089 O TYR A 115 7.531 -10.901 3.795 1.00 0.00 O ATOM 1090 CB TYR A 115 5.694 -8.867 3.677 1.00 0.00 C ATOM 1091 CG TYR A 115 4.837 -7.782 3.055 1.00 0.00 C ATOM 1092 CD1 TYR A 115 4.594 -7.757 1.687 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.265 -6.787 3.838 1.00 0.00 C ATOM 1094 CE1 TYR A 115 3.808 -6.771 1.118 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.476 -5.799 3.274 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.251 -5.797 1.914 1.00 0.00 C ATOM 1097 OH TYR A 115 2.461 -4.821 1.349 1.00 0.00 O ATOM 0 H TYR A 115 3.945 -10.134 4.950 1.00 0.00 H new ATOM 0 HA TYR A 115 4.971 -10.313 2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.674 -8.758 4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.728 -8.727 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.026 -8.520 1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.439 -6.784 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 115 3.632 -6.766 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.039 -5.033 3.897 1.00 0.00 H new ATOM 0 HH TYR A 115 2.145 -4.211 2.048 1.00 0.00 H new ATOM 1107 N SER A 116 6.107 -12.573 3.283 1.00 0.00 N ATOM 1108 CA SER A 116 7.120 -13.628 3.394 1.00 0.00 C ATOM 1109 C SER A 116 7.690 -13.952 2.009 1.00 0.00 C ATOM 1110 O SER A 116 7.808 -15.117 1.611 1.00 0.00 O ATOM 1111 CB SER A 116 6.526 -14.883 4.041 1.00 0.00 C ATOM 1112 OG SER A 116 7.507 -15.579 4.796 1.00 0.00 O ATOM 0 H SER A 116 5.178 -12.910 3.031 1.00 0.00 H new ATOM 0 HA SER A 116 7.929 -13.271 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.694 -14.604 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.123 -15.539 3.269 1.00 0.00 H new ATOM 0 HG SER A 116 7.104 -16.375 5.201 1.00 0.00 H new ATOM 1118 N HIS A 117 8.014 -12.898 1.269 1.00 0.00 N ATOM 1119 CA HIS A 117 8.547 -13.010 -0.077 1.00 0.00 C ATOM 1120 C HIS A 117 9.655 -11.973 -0.285 1.00 0.00 C ATOM 1121 O HIS A 117 10.274 -11.526 0.683 1.00 0.00 O ATOM 1122 CB HIS A 117 7.398 -12.788 -1.061 1.00 0.00 C ATOM 1123 CG HIS A 117 6.749 -14.040 -1.535 1.00 0.00 C ATOM 1124 ND1 HIS A 117 6.819 -15.243 -0.870 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.996 -14.255 -2.622 1.00 0.00 C ATOM 1126 CE1 HIS A 117 6.129 -16.152 -1.540 1.00 0.00 C ATOM 1127 NE2 HIS A 117 5.613 -15.574 -2.613 1.00 0.00 N ATOM 0 H HIS A 117 7.912 -11.936 1.592 1.00 0.00 H new ATOM 0 HA HIS A 117 8.981 -13.997 -0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.645 -12.159 -0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.775 -12.238 -1.924 1.00 0.00 H new ATOM 0 HD1 HIS A 117 7.323 -15.408 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.736 -13.522 -3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.008 -17.188 -1.259 1.00 0.00 H new ATOM 1136 N CYS A 118 9.896 -11.575 -1.538 1.00 0.00 N ATOM 1137 CA CYS A 118 10.912 -10.570 -1.845 1.00 0.00 C ATOM 1138 C CYS A 118 12.325 -11.134 -1.703 1.00 0.00 C ATOM 1139 O CYS A 118 12.978 -10.965 -0.673 1.00 0.00 O ATOM 1140 CB CYS A 118 10.728 -9.345 -0.942 1.00 0.00 C ATOM 1141 SG CYS A 118 10.229 -7.831 -1.823 1.00 0.00 S ATOM 0 H CYS A 118 9.400 -11.935 -2.354 1.00 0.00 H new ATOM 0 HA CYS A 118 10.784 -10.270 -2.885 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.977 -9.575 -0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 118 11.663 -9.153 -0.415 1.00 0.00 H new ATOM 1146 N GLU A 119 12.789 -11.799 -2.756 1.00 0.00 N ATOM 1147 CA GLU A 119 14.129 -12.392 -2.786 1.00 0.00 C ATOM 1148 C GLU A 119 15.152 -11.374 -3.309 1.00 0.00 C ATOM 1149 O GLU A 119 15.160 -11.050 -4.497 1.00 0.00 O ATOM 1150 CB GLU A 119 14.127 -13.651 -3.668 1.00 0.00 C ATOM 1151 CG GLU A 119 13.247 -13.538 -4.910 1.00 0.00 C ATOM 1152 CD GLU A 119 13.579 -14.564 -5.974 1.00 0.00 C ATOM 1153 OE1 GLU A 119 13.829 -15.738 -5.621 1.00 0.00 O ATOM 1154 OE2 GLU A 119 13.557 -14.202 -7.169 1.00 0.00 O ATOM 0 H GLU A 119 12.252 -11.944 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 119 14.412 -12.674 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.149 -13.866 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.789 -14.499 -3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.203 -13.652 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.353 -12.539 -5.333 1.00 0.00 H new ATOM 1161 N PRO A 120 16.032 -10.846 -2.435 1.00 0.00 N ATOM 1162 CA PRO A 120 17.037 -9.858 -2.840 1.00 0.00 C ATOM 1163 C PRO A 120 18.133 -10.444 -3.729 1.00 0.00 C ATOM 1164 O PRO A 120 18.444 -11.628 -3.638 1.00 0.00 O ATOM 1165 CB PRO A 120 17.641 -9.361 -1.522 1.00 0.00 C ATOM 1166 CG PRO A 120 16.833 -9.979 -0.425 1.00 0.00 C ATOM 1167 CD PRO A 120 16.118 -11.165 -1.005 1.00 0.00 C ATOM 0 HA PRO A 120 16.579 -9.069 -3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 120 18.689 -9.650 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 120 17.605 -8.273 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 120 17.477 -10.285 0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 120 16.119 -9.260 -0.023 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.669 -12.090 -0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 120 15.130 -11.295 -0.562 1.00 0.00 H new ATOM 1175 N ILE A 121 18.719 -9.579 -4.567 1.00 0.00 N ATOM 1176 CA ILE A 121 19.809 -9.950 -5.490 1.00 0.00 C ATOM 1177 C ILE A 121 19.904 -11.464 -5.757 1.00 0.00 C ATOM 1178 O ILE A 121 19.054 -12.032 -6.442 1.00 0.00 O ATOM 1179 CB ILE A 121 21.173 -9.389 -5.001 1.00 0.00 C ATOM 1180 CG1 ILE A 121 21.287 -9.469 -3.471 1.00 0.00 C ATOM 1181 CG2 ILE A 121 21.356 -7.956 -5.478 1.00 0.00 C ATOM 1182 CD1 ILE A 121 20.659 -8.296 -2.746 1.00 0.00 C ATOM 0 H ILE A 121 18.452 -8.596 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 121 19.559 -9.488 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 121 21.966 -10.003 -5.428 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.815 -10.390 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 121 22.340 -9.531 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 121 22.316 -7.576 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 121 21.330 -7.929 -6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 121 20.553 -7.335 -5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 121 20.780 -8.426 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 121 21.147 -7.372 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 121 19.597 -8.245 -2.988 1.00 0.00 H new ATOM 1194 N LEU A 122 20.945 -12.099 -5.232 1.00 0.00 N ATOM 1195 CA LEU A 122 21.170 -13.532 -5.415 1.00 0.00 C ATOM 1196 C LEU A 122 20.195 -14.372 -4.586 1.00 0.00 C ATOM 1197 O LEU A 122 19.803 -13.994 -3.482 1.00 0.00 O ATOM 1198 CB LEU A 122 22.617 -13.881 -5.047 1.00 0.00 C ATOM 1199 CG LEU A 122 23.006 -13.616 -3.587 1.00 0.00 C ATOM 1200 CD1 LEU A 122 23.879 -14.741 -3.057 1.00 0.00 C ATOM 1201 CD2 LEU A 122 23.725 -12.280 -3.456 1.00 0.00 C ATOM 0 H LEU A 122 21.658 -11.637 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 122 20.993 -13.768 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 122 22.785 -14.936 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.286 -13.312 -5.693 1.00 0.00 H new ATOM 0 HG LEU A 122 22.093 -13.575 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.146 -14.537 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.333 -15.683 -3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.786 -14.812 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.992 -12.111 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 122 24.629 -12.292 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.069 -11.479 -3.797 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 24.017 -2.866 1.055 1.00 0.00 N ATOM 1215 CA LEU B 227 23.516 -2.468 2.345 1.00 0.00 C ATOM 1216 C LEU B 227 23.049 -3.679 3.121 1.00 0.00 C ATOM 1217 O LEU B 227 21.977 -3.687 3.720 1.00 0.00 O ATOM 1218 CB LEU B 227 22.399 -1.474 2.140 1.00 0.00 C ATOM 1219 CG LEU B 227 22.846 -0.119 1.600 1.00 0.00 C ATOM 1220 CD1 LEU B 227 22.057 0.250 0.355 1.00 0.00 C ATOM 1221 CD2 LEU B 227 22.702 0.960 2.662 1.00 0.00 C ATOM 0 HA LEU B 227 24.306 -1.996 2.929 1.00 0.00 H new ATOM 0 HB2 LEU B 227 21.671 -1.903 1.451 1.00 0.00 H new ATOM 0 HB3 LEU B 227 21.888 -1.321 3.090 1.00 0.00 H new ATOM 0 HG LEU B 227 23.899 -0.194 1.330 1.00 0.00 H new ATOM 0 HD11 LEU B 227 22.392 1.220 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU B 227 22.217 -0.506 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU B 227 20.996 0.301 0.599 1.00 0.00 H new ATOM 0 HD21 LEU B 227 23.027 1.917 2.254 1.00 0.00 H new ATOM 0 HD22 LEU B 227 21.659 1.031 2.969 1.00 0.00 H new ATOM 0 HD23 LEU B 227 23.318 0.706 3.525 1.00 0.00 H new ATOM 1233 N ALA B 228 23.882 -4.704 3.083 1.00 0.00 N ATOM 1234 CA ALA B 228 23.610 -5.977 3.761 1.00 0.00 C ATOM 1235 C ALA B 228 22.878 -5.769 5.090 1.00 0.00 C ATOM 1236 O ALA B 228 21.766 -6.266 5.277 1.00 0.00 O ATOM 1237 CB ALA B 228 24.909 -6.744 3.979 1.00 0.00 C ATOM 0 H ALA B 228 24.770 -4.686 2.582 1.00 0.00 H new ATOM 0 HA ALA B 228 22.954 -6.563 3.117 1.00 0.00 H new ATOM 0 HB1 ALA B 228 24.695 -7.687 4.483 1.00 0.00 H new ATOM 0 HB2 ALA B 228 25.378 -6.946 3.016 1.00 0.00 H new ATOM 0 HB3 ALA B 228 25.584 -6.149 4.594 1.00 0.00 H new ATOM 1243 N GLN B 229 23.502 -5.023 5.999 1.00 0.00 N ATOM 1244 CA GLN B 229 22.909 -4.737 7.307 1.00 0.00 C ATOM 1245 C GLN B 229 21.688 -3.820 7.174 1.00 0.00 C ATOM 1246 O GLN B 229 20.682 -4.013 7.859 1.00 0.00 O ATOM 1247 CB GLN B 229 23.949 -4.092 8.227 1.00 0.00 C ATOM 1248 CG GLN B 229 23.696 -4.339 9.709 1.00 0.00 C ATOM 1249 CD GLN B 229 24.251 -3.239 10.597 1.00 0.00 C ATOM 1250 OE1 GLN B 229 23.585 -2.776 11.518 1.00 0.00 O ATOM 1251 NE2 GLN B 229 25.479 -2.817 10.331 1.00 0.00 N ATOM 0 H GLN B 229 24.421 -4.604 5.855 1.00 0.00 H new ATOM 0 HA GLN B 229 22.580 -5.681 7.741 1.00 0.00 H new ATOM 0 HB2 GLN B 229 24.936 -4.474 7.968 1.00 0.00 H new ATOM 0 HB3 GLN B 229 23.965 -3.017 8.045 1.00 0.00 H new ATOM 0 HG2 GLN B 229 22.623 -4.429 9.879 1.00 0.00 H new ATOM 0 HG3 GLN B 229 24.145 -5.290 9.995 1.00 0.00 H new ATOM 0 HE21 GLN B 229 26.002 -3.226 9.557 1.00 0.00 H new ATOM 0 HE22 GLN B 229 25.901 -2.083 10.901 1.00 0.00 H new ATOM 1260 N GLU B 230 21.782 -2.828 6.287 1.00 0.00 N ATOM 1261 CA GLU B 230 20.682 -1.887 6.064 1.00 0.00 C ATOM 1262 C GLU B 230 19.458 -2.599 5.478 1.00 0.00 C ATOM 1263 O GLU B 230 18.341 -2.419 5.969 1.00 0.00 O ATOM 1264 CB GLU B 230 21.135 -0.744 5.151 1.00 0.00 C ATOM 1265 CG GLU B 230 21.307 0.582 5.877 1.00 0.00 C ATOM 1266 CD GLU B 230 20.231 1.591 5.526 1.00 0.00 C ATOM 1267 OE1 GLU B 230 20.328 2.763 5.891 1.00 0.00 O ATOM 0 H GLU B 230 22.607 -2.655 5.712 1.00 0.00 H new ATOM 0 HA GLU B 230 20.393 -1.467 7.027 1.00 0.00 H new ATOM 0 HB2 GLU B 230 22.080 -1.017 4.682 1.00 0.00 H new ATOM 0 HB3 GLU B 230 20.406 -0.619 4.350 1.00 0.00 H new ATOM 0 HG2 GLU B 230 21.296 0.406 6.953 1.00 0.00 H new ATOM 0 HG3 GLU B 230 22.284 1.000 5.633 1.00 0.00 H new ATOM 1274 N ALA B 231 19.672 -3.422 4.439 1.00 0.00 N ATOM 1275 CA ALA B 231 18.577 -4.176 3.810 1.00 0.00 C ATOM 1276 C ALA B 231 17.680 -4.869 4.845 1.00 0.00 C ATOM 1277 O ALA B 231 16.502 -5.125 4.572 1.00 0.00 O ATOM 1278 CB ALA B 231 19.139 -5.207 2.845 1.00 0.00 C ATOM 0 H ALA B 231 20.588 -3.581 4.019 1.00 0.00 H new ATOM 0 HA ALA B 231 17.961 -3.459 3.267 1.00 0.00 H new ATOM 0 HB1 ALA B 231 18.320 -5.759 2.385 1.00 0.00 H new ATOM 0 HB2 ALA B 231 19.717 -4.703 2.070 1.00 0.00 H new ATOM 0 HB3 ALA B 231 19.784 -5.899 3.387 1.00 0.00 H new ATOM 1284 N HIS B 232 18.239 -5.172 6.024 1.00 0.00 N ATOM 1285 CA HIS B 232 17.481 -5.827 7.093 1.00 0.00 C ATOM 1286 C HIS B 232 16.374 -4.907 7.610 1.00 0.00 C ATOM 1287 O HIS B 232 15.193 -5.260 7.562 1.00 0.00 O ATOM 1288 CB HIS B 232 18.415 -6.236 8.239 1.00 0.00 C ATOM 1289 CG HIS B 232 19.428 -7.271 7.853 1.00 0.00 C ATOM 1290 ND1 HIS B 232 19.527 -7.797 6.583 1.00 0.00 N ATOM 1291 CD2 HIS B 232 20.392 -7.879 8.584 1.00 0.00 C ATOM 1292 CE1 HIS B 232 20.504 -8.685 6.549 1.00 0.00 C ATOM 1293 NE2 HIS B 232 21.047 -8.752 7.749 1.00 0.00 N ATOM 0 H HIS B 232 19.211 -4.974 6.259 1.00 0.00 H new ATOM 0 HA HIS B 232 17.019 -6.726 6.685 1.00 0.00 H new ATOM 0 HB2 HIS B 232 18.935 -5.351 8.605 1.00 0.00 H new ATOM 0 HB3 HIS B 232 17.816 -6.618 9.065 1.00 0.00 H new ATOM 0 HD2 HIS B 232 20.606 -7.709 9.629 1.00 0.00 H new ATOM 0 HE1 HIS B 232 20.807 -9.259 5.685 1.00 0.00 H new ATOM 0 HE2 HIS B 232 21.827 -9.354 8.014 1.00 0.00 H new ATOM 1302 N LYS B 233 16.758 -3.713 8.074 1.00 0.00 N ATOM 1303 CA LYS B 233 15.785 -2.731 8.566 1.00 0.00 C ATOM 1304 C LYS B 233 14.733 -2.454 7.488 1.00 0.00 C ATOM 1305 O LYS B 233 13.549 -2.287 7.783 1.00 0.00 O ATOM 1306 CB LYS B 233 16.496 -1.430 8.985 1.00 0.00 C ATOM 1307 CG LYS B 233 16.313 -0.272 8.008 1.00 0.00 C ATOM 1308 CD LYS B 233 17.396 0.783 8.178 1.00 0.00 C ATOM 1309 CE LYS B 233 17.576 1.605 6.911 1.00 0.00 C ATOM 1310 NZ LYS B 233 18.141 0.813 5.819 1.00 0.00 N ATOM 0 H LYS B 233 17.729 -3.404 8.119 1.00 0.00 H new ATOM 0 HA LYS B 233 15.284 -3.139 9.444 1.00 0.00 H new ATOM 0 HB2 LYS B 233 16.125 -1.126 9.964 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.561 -1.631 9.096 1.00 0.00 H new ATOM 0 HG2 LYS B 233 16.331 -0.651 6.986 1.00 0.00 H new ATOM 0 HG3 LYS B 233 15.334 0.183 8.162 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.137 1.442 9.007 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.338 0.300 8.437 1.00 0.00 H new ATOM 0 HE2 LYS B 233 16.613 2.012 6.603 1.00 0.00 H new ATOM 0 HE3 LYS B 233 18.228 2.453 7.119 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 18.482 1.448 5.070 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 18.934 0.243 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 17.409 0.183 5.432 1.00 0.00 H new ATOM 1322 N ASN B 234 15.187 -2.432 6.234 1.00 0.00 N ATOM 1323 CA ASN B 234 14.312 -2.203 5.087 1.00 0.00 C ATOM 1324 C ASN B 234 13.135 -3.174 5.110 1.00 0.00 C ATOM 1325 O ASN B 234 11.977 -2.762 5.045 1.00 0.00 O ATOM 1326 CB ASN B 234 15.115 -2.375 3.792 1.00 0.00 C ATOM 1327 CG ASN B 234 16.278 -1.403 3.678 1.00 0.00 C ATOM 1328 OD1 ASN B 234 16.510 -0.575 4.558 1.00 0.00 O ATOM 1329 ND2 ASN B 234 17.027 -1.504 2.591 1.00 0.00 N ATOM 0 H ASN B 234 16.167 -2.572 5.987 1.00 0.00 H new ATOM 0 HA ASN B 234 13.918 -1.188 5.137 1.00 0.00 H new ATOM 0 HB2 ASN B 234 15.495 -3.395 3.740 1.00 0.00 H new ATOM 0 HB3 ASN B 234 14.451 -2.239 2.939 1.00 0.00 H new ATOM 0 HD21 ASN B 234 17.826 -0.883 2.463 1.00 0.00 H new ATOM 0 HD22 ASN B 234 16.805 -2.203 1.882 1.00 0.00 H new ATOM 1336 N ARG B 235 13.444 -4.465 5.209 1.00 0.00 N ATOM 1337 CA ARG B 235 12.413 -5.493 5.251 1.00 0.00 C ATOM 1338 C ARG B 235 11.655 -5.480 6.578 1.00 0.00 C ATOM 1339 O ARG B 235 10.449 -5.717 6.602 1.00 0.00 O ATOM 1340 CB ARG B 235 13.011 -6.872 4.997 1.00 0.00 C ATOM 1341 CG ARG B 235 12.615 -7.439 3.648 1.00 0.00 C ATOM 1342 CD ARG B 235 12.938 -8.913 3.550 1.00 0.00 C ATOM 1343 NE ARG B 235 14.304 -9.120 3.077 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.266 -9.713 3.777 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.021 -10.227 4.969 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.482 -9.794 3.276 1.00 0.00 N ATOM 0 H ARG B 235 14.398 -4.821 5.261 1.00 0.00 H new ATOM 0 HA ARG B 235 11.700 -5.268 4.457 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.098 -6.809 5.056 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.688 -7.555 5.783 1.00 0.00 H new ATOM 0 HG2 ARG B 235 11.547 -7.288 3.488 1.00 0.00 H new ATOM 0 HG3 ARG B 235 13.136 -6.898 2.858 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.813 -9.382 4.526 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.237 -9.398 2.871 1.00 0.00 H new ATOM 0 HE ARG B 235 14.537 -8.785 2.142 1.00 0.00 H new ATOM 0 HH11 ARG B 235 14.083 -10.172 5.365 1.00 0.00 H new ATOM 0 HH12 ARG B 235 15.770 -10.679 5.493 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.681 -9.403 2.355 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.224 -10.248 3.809 1.00 0.00 H new ATOM 1360 N LYS B 236 12.354 -5.191 7.681 1.00 0.00 N ATOM 1361 CA LYS B 236 11.711 -5.137 8.995 1.00 0.00 C ATOM 1362 C LYS B 236 10.447 -4.281 8.931 1.00 0.00 C ATOM 1363 O LYS B 236 9.392 -4.673 9.429 1.00 0.00 O ATOM 1364 CB LYS B 236 12.677 -4.579 10.039 1.00 0.00 C ATOM 1365 CG LYS B 236 13.728 -5.583 10.482 1.00 0.00 C ATOM 1366 CD LYS B 236 14.057 -5.425 11.957 1.00 0.00 C ATOM 1367 CE LYS B 236 13.116 -6.238 12.837 1.00 0.00 C ATOM 1368 NZ LYS B 236 12.215 -5.367 13.646 1.00 0.00 N ATOM 0 H LYS B 236 13.355 -4.993 7.689 1.00 0.00 H new ATOM 0 HA LYS B 236 11.433 -6.150 9.287 1.00 0.00 H new ATOM 0 HB2 LYS B 236 13.174 -3.699 9.630 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.110 -4.249 10.909 1.00 0.00 H new ATOM 0 HG2 LYS B 236 13.369 -6.595 10.294 1.00 0.00 H new ATOM 0 HG3 LYS B 236 14.633 -5.450 9.889 1.00 0.00 H new ATOM 0 HD2 LYS B 236 15.085 -5.740 12.136 1.00 0.00 H new ATOM 0 HD3 LYS B 236 13.994 -4.372 12.233 1.00 0.00 H new ATOM 0 HE2 LYS B 236 12.516 -6.899 12.212 1.00 0.00 H new ATOM 0 HE3 LYS B 236 13.700 -6.873 13.503 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 11.965 -5.853 14.531 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 12.701 -4.475 13.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 11.350 -5.165 13.105 1.00 0.00 H new ATOM 1382 N LEU B 237 10.551 -3.124 8.281 1.00 0.00 N ATOM 1383 CA LEU B 237 9.406 -2.225 8.121 1.00 0.00 C ATOM 1384 C LEU B 237 8.198 -2.955 7.503 1.00 0.00 C ATOM 1385 O LEU B 237 7.056 -2.518 7.653 1.00 0.00 O ATOM 1386 CB LEU B 237 9.803 -1.013 7.271 1.00 0.00 C ATOM 1387 CG LEU B 237 8.817 0.158 7.320 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.865 0.837 8.678 1.00 0.00 C ATOM 1389 CD2 LEU B 237 9.118 1.159 6.218 1.00 0.00 C ATOM 0 H LEU B 237 11.414 -2.786 7.856 1.00 0.00 H new ATOM 0 HA LEU B 237 9.106 -1.878 9.110 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.780 -0.660 7.601 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.913 -1.334 6.235 1.00 0.00 H new ATOM 0 HG LEU B 237 7.812 -0.235 7.163 1.00 0.00 H new ATOM 0 HD11 LEU B 237 8.158 1.667 8.695 1.00 0.00 H new ATOM 0 HD12 LEU B 237 8.600 0.118 9.454 1.00 0.00 H new ATOM 0 HD13 LEU B 237 9.871 1.214 8.861 1.00 0.00 H new ATOM 0 HD21 LEU B 237 8.406 1.983 6.270 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.130 1.545 6.343 1.00 0.00 H new ATOM 0 HD23 LEU B 237 9.034 0.669 5.248 1.00 0.00 H new HETATM 1401 N NLE B 238 8.453 -4.084 6.831 1.00 0.00 N HETATM 1402 CA NLE B 238 7.388 -4.882 6.225 1.00 0.00 C HETATM 1403 C NLE B 238 6.609 -5.652 7.297 1.00 0.00 C HETATM 1404 O NLE B 238 5.403 -5.860 7.166 1.00 0.00 O HETATM 1405 CB NLE B 238 7.972 -5.850 5.191 1.00 0.00 C HETATM 1406 CG NLE B 238 8.841 -5.167 4.145 1.00 0.00 C HETATM 1407 CD NLE B 238 8.938 -5.990 2.875 1.00 0.00 C HETATM 1408 CE NLE B 238 7.658 -6.002 2.079 1.00 0.00 C HETATM 0 HG3 NLE B 238 8.428 -4.186 3.912 1.00 0.00 H new HETATM 0 HG2 NLE B 238 9.839 -5.004 4.551 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.856 -6.424 2.685 1.00 0.00 H new HETATM 0 HE2 NLE B 238 7.398 -4.983 1.793 1.00 0.00 H new HETATM 0 HE1 NLE B 238 7.793 -6.608 1.183 1.00 0.00 H new HETATM 0 HD3 NLE B 238 9.742 -5.595 2.254 1.00 0.00 H new HETATM 0 HD2 NLE B 238 9.208 -7.014 3.133 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.564 -6.606 5.706 1.00 0.00 H new HETATM 0 HB2 NLE B 238 7.156 -6.371 4.690 1.00 0.00 H new HETATM 0 HA NLE B 238 6.697 -4.206 5.721 1.00 0.00 H new ATOM 1420 N GLU B 239 7.297 -6.052 8.374 1.00 0.00 N ATOM 1421 CA GLU B 239 6.643 -6.769 9.473 1.00 0.00 C ATOM 1422 C GLU B 239 5.573 -5.883 10.128 1.00 0.00 C ATOM 1423 O GLU B 239 4.608 -6.384 10.713 1.00 0.00 O ATOM 1424 CB GLU B 239 7.679 -7.240 10.507 1.00 0.00 C ATOM 1425 CG GLU B 239 8.107 -6.166 11.506 1.00 0.00 C ATOM 1426 CD GLU B 239 9.604 -6.148 11.787 1.00 0.00 C ATOM 1427 OE1 GLU B 239 10.328 -7.058 11.323 1.00 0.00 O ATOM 1428 OE2 GLU B 239 10.060 -5.212 12.483 1.00 0.00 O ATOM 0 H GLU B 239 8.296 -5.893 8.506 1.00 0.00 H new ATOM 0 HA GLU B 239 6.151 -7.653 9.067 1.00 0.00 H new ATOM 0 HB2 GLU B 239 7.267 -8.087 11.056 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.562 -7.601 9.980 1.00 0.00 H new ATOM 0 HG2 GLU B 239 7.807 -5.190 11.126 1.00 0.00 H new ATOM 0 HG3 GLU B 239 7.573 -6.322 12.443 1.00 0.00 H new ATOM 1435 N ILE B 240 5.750 -4.560 10.000 1.00 0.00 N ATOM 1436 CA ILE B 240 4.808 -3.585 10.547 1.00 0.00 C ATOM 1437 C ILE B 240 3.473 -3.627 9.796 1.00 0.00 C ATOM 1438 O ILE B 240 2.412 -3.406 10.384 1.00 0.00 O ATOM 1439 CB ILE B 240 5.384 -2.148 10.465 1.00 0.00 C ATOM 1440 CG1 ILE B 240 6.459 -1.934 11.525 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.280 -1.108 10.621 1.00 0.00 C ATOM 1442 CD1 ILE B 240 6.976 -0.511 11.571 1.00 0.00 C ATOM 0 H ILE B 240 6.546 -4.143 9.517 1.00 0.00 H new ATOM 0 HA ILE B 240 4.643 -3.850 11.591 1.00 0.00 H new ATOM 0 HB ILE B 240 5.836 -2.027 9.481 1.00 0.00 H new ATOM 0 HG12 ILE B 240 6.055 -2.199 12.502 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.292 -2.610 11.331 1.00 0.00 H new ATOM 0 HG21 ILE B 240 4.710 -0.108 10.560 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.545 -1.236 9.826 1.00 0.00 H new ATOM 0 HG23 ILE B 240 3.794 -1.235 11.589 1.00 0.00 H new ATOM 0 HD11 ILE B 240 7.738 -0.426 12.346 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.409 -0.250 10.605 1.00 0.00 H new ATOM 0 HD13 ILE B 240 6.153 0.168 11.795 1.00 0.00 H new ATOM 1454 N ILE B 241 3.531 -3.907 8.491 1.00 0.00 N ATOM 1455 CA ILE B 241 2.322 -3.966 7.667 1.00 0.00 C ATOM 1456 C ILE B 241 1.439 -5.147 8.075 1.00 0.00 C ATOM 1457 O ILE B 241 1.452 -6.208 7.442 1.00 0.00 O ATOM 1458 CB ILE B 241 2.628 -4.060 6.147 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.956 -3.390 5.777 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.502 -3.422 5.353 1.00 0.00 C ATOM 1461 CD1 ILE B 241 4.090 -1.974 6.294 1.00 0.00 C ATOM 0 H ILE B 241 4.397 -4.095 7.986 1.00 0.00 H new ATOM 0 HA ILE B 241 1.795 -3.029 7.844 1.00 0.00 H new ATOM 0 HB ILE B 241 2.711 -5.118 5.900 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.777 -3.990 6.170 1.00 0.00 H new ATOM 0 HG13 ILE B 241 4.058 -3.382 4.692 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.723 -3.491 4.288 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.568 -3.942 5.564 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.406 -2.374 5.636 1.00 0.00 H new ATOM 0 HD11 ILE B 241 5.055 -1.566 5.993 1.00 0.00 H new ATOM 0 HD12 ILE B 241 3.291 -1.359 5.881 1.00 0.00 H new ATOM 0 HD13 ILE B 241 4.021 -1.976 7.382 1.00 0.00 H new TER 1473 ILE B 241