USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1069 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 117 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 119 THR OG1 : rot 180:sc= 0.013 USER MOD Set 2.1: A 91 THR OG1 : rot 130:sc= 1.3 USER MOD Set 2.2: A 116 THR OG1 : rot -17:sc= 1.19 USER MOD Single : A 3 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=0) USER MOD Single : A 7 TYR OH : rot 143:sc= 0.575 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -4.04! C(o=-4!,f=-2.7!) USER MOD Single : A 16 ASN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.914 X(o=-0.91,f=-0.94) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 151:sc= -0.0259 (180deg=-1.16) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= 0.449 K(o=0.45,f=-1.5) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.739 USER MOD Single : A 36 THR OG1 : rot 98:sc= 1.44 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0504 USER MOD Single : A 48 HIS : no HE2:sc= 0.577 K(o=0.58,f=-2!) USER MOD Single : A 49 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.73) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.019) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0352 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.29) USER MOD Single : A 74 MET CE :methyl 141:sc= -2.72! (180deg=-3.29!) USER MOD Single : A 84 CYS SG : rot -102:sc= -0.493 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 87 MET CE :methyl -178:sc= -0.249 (180deg=-0.255) USER MOD Single : A 88 TYR OH : rot -90:sc= -0.213 USER MOD Single : A 89 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.042) USER MOD Single : A 96 GLN : amide:sc= -0.0665 X(o=-0.066,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0.0979 X(o=0.098,f=-0.024) USER MOD Single : A 112 CYS SG : rot -160:sc= -2.1 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 32:sc= 1.19 USER MOD Single : A 130 HIS : no HD1:sc= -0.633 K(o=-0.63,f=-0.055) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 30:sc= -0.271 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -14.500 -3.132 7.062 1.00 0.00 N ATOM 19 CA ALA A 2 -13.748 -1.880 7.142 1.00 0.00 C ATOM 20 C ALA A 2 -13.159 -1.574 5.763 1.00 0.00 C ATOM 21 O ALA A 2 -12.958 -2.488 4.963 1.00 0.00 O ATOM 22 CB ALA A 2 -12.629 -1.990 8.185 1.00 0.00 C ATOM 0 HA ALA A 2 -14.414 -1.073 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.080 -1.049 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.062 -2.205 9.162 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.948 -2.794 7.905 1.00 0.00 H new ATOM 28 N HIS A 3 -12.828 -0.309 5.502 1.00 0.00 N ATOM 29 CA HIS A 3 -12.257 0.115 4.229 1.00 0.00 C ATOM 30 C HIS A 3 -10.751 0.263 4.346 1.00 0.00 C ATOM 31 O HIS A 3 -10.242 0.841 5.314 1.00 0.00 O ATOM 32 CB HIS A 3 -12.872 1.450 3.799 1.00 0.00 C ATOM 33 CG HIS A 3 -14.320 1.316 3.423 1.00 0.00 C ATOM 34 ND1 HIS A 3 -15.358 2.095 3.878 1.00 0.00 N ATOM 35 CD2 HIS A 3 -14.824 0.438 2.505 1.00 0.00 C ATOM 36 CE1 HIS A 3 -16.472 1.698 3.238 1.00 0.00 C ATOM 37 NE2 HIS A 3 -16.196 0.686 2.397 1.00 0.00 N ATOM 0 H HIS A 3 -12.950 0.451 6.172 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.480 -0.645 3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -12.775 2.170 4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.314 1.848 2.951 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.265 -0.310 1.962 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -17.451 2.131 3.380 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.858 0.195 1.797 1.00 0.00 H new ATOM 45 N ILE A 4 -10.035 -0.187 3.318 1.00 0.00 N ATOM 46 CA ILE A 4 -8.623 0.103 3.146 1.00 0.00 C ATOM 47 C ILE A 4 -8.368 0.547 1.705 1.00 0.00 C ATOM 48 O ILE A 4 -9.272 0.577 0.857 1.00 0.00 O ATOM 49 CB ILE A 4 -7.741 -1.080 3.606 1.00 0.00 C ATOM 50 CG1 ILE A 4 -7.976 -2.355 2.783 1.00 0.00 C ATOM 51 CG2 ILE A 4 -7.933 -1.347 5.109 1.00 0.00 C ATOM 52 CD1 ILE A 4 -6.917 -3.421 3.085 1.00 0.00 C ATOM 0 H ILE A 4 -10.427 -0.768 2.577 1.00 0.00 H new ATOM 0 HA ILE A 4 -8.334 0.932 3.792 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.705 -0.789 3.431 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -8.967 -2.753 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.957 -2.112 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.304 -2.183 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.654 -0.458 5.675 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.978 -1.589 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.114 -4.310 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.929 -3.031 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.954 -3.682 4.143 1.00 0.00 H new ATOM 64 N PHE A 5 -7.132 0.958 1.457 1.00 0.00 N ATOM 65 CA PHE A 5 -6.644 1.419 0.174 1.00 0.00 C ATOM 66 C PHE A 5 -5.330 0.701 -0.124 1.00 0.00 C ATOM 67 O PHE A 5 -4.475 0.590 0.763 1.00 0.00 O ATOM 68 CB PHE A 5 -6.466 2.933 0.266 1.00 0.00 C ATOM 69 CG PHE A 5 -5.891 3.545 -0.985 1.00 0.00 C ATOM 70 CD1 PHE A 5 -6.696 3.636 -2.130 1.00 0.00 C ATOM 71 CD2 PHE A 5 -4.560 3.998 -1.018 1.00 0.00 C ATOM 72 CE1 PHE A 5 -6.182 4.194 -3.307 1.00 0.00 C ATOM 73 CE2 PHE A 5 -4.044 4.556 -2.200 1.00 0.00 C ATOM 74 CZ PHE A 5 -4.861 4.673 -3.337 1.00 0.00 C ATOM 0 H PHE A 5 -6.413 0.978 2.181 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.337 1.200 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.432 3.393 0.476 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.813 3.164 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.714 3.275 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.937 3.917 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.800 4.256 -4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.019 4.895 -2.234 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.474 5.131 -4.235 1.00 0.00 H new ATOM 84 N VAL A 6 -5.172 0.178 -1.343 1.00 0.00 N ATOM 85 CA VAL A 6 -3.966 -0.556 -1.714 1.00 0.00 C ATOM 86 C VAL A 6 -2.791 0.409 -1.813 1.00 0.00 C ATOM 87 O VAL A 6 -2.777 1.341 -2.619 1.00 0.00 O ATOM 88 CB VAL A 6 -4.145 -1.428 -2.974 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.040 -2.626 -2.650 1.00 0.00 C ATOM 90 CG2 VAL A 6 -4.713 -0.675 -4.179 1.00 0.00 C ATOM 0 H VAL A 6 -5.866 0.251 -2.087 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.751 -1.275 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.145 -1.754 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.164 -3.239 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.580 -3.221 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.015 -2.272 -2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.808 -1.358 -5.023 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.694 -0.271 -3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.042 0.142 -4.447 1.00 0.00 H new ATOM 100 N TYR A 7 -1.789 0.155 -0.979 1.00 0.00 N ATOM 101 CA TYR A 7 -0.505 0.826 -0.981 1.00 0.00 C ATOM 102 C TYR A 7 0.168 0.770 -2.370 1.00 0.00 C ATOM 103 O TYR A 7 0.723 1.772 -2.825 1.00 0.00 O ATOM 104 CB TYR A 7 0.311 0.177 0.150 1.00 0.00 C ATOM 105 CG TYR A 7 1.805 0.255 -0.012 1.00 0.00 C ATOM 106 CD1 TYR A 7 2.428 1.502 -0.181 1.00 0.00 C ATOM 107 CD2 TYR A 7 2.559 -0.933 -0.043 1.00 0.00 C ATOM 108 CE1 TYR A 7 3.803 1.559 -0.442 1.00 0.00 C ATOM 109 CE2 TYR A 7 3.936 -0.883 -0.292 1.00 0.00 C ATOM 110 CZ TYR A 7 4.549 0.366 -0.513 1.00 0.00 C ATOM 111 OH TYR A 7 5.856 0.428 -0.824 1.00 0.00 O ATOM 0 H TYR A 7 -1.858 -0.557 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 7 -0.598 1.895 -0.792 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.038 0.653 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.024 -0.872 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.850 2.412 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.075 -1.884 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.289 2.512 -0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.521 -1.791 -0.314 1.00 0.00 H new ATOM 0 HH TYR A 7 6.348 -0.243 -0.306 1.00 0.00 H new ATOM 121 N GLY A 8 0.091 -0.367 -3.069 1.00 0.00 N ATOM 122 CA GLY A 8 0.688 -0.560 -4.394 1.00 0.00 C ATOM 123 C GLY A 8 0.762 -2.045 -4.738 1.00 0.00 C ATOM 124 O GLY A 8 0.394 -2.501 -5.822 1.00 0.00 O ATOM 0 H GLY A 8 -0.397 -1.194 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.097 -0.036 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.688 -0.126 -4.415 1.00 0.00 H new ATOM 128 N THR A 9 1.191 -2.830 -3.756 1.00 0.00 N ATOM 129 CA THR A 9 1.491 -4.253 -3.820 1.00 0.00 C ATOM 130 C THR A 9 0.333 -5.159 -4.258 1.00 0.00 C ATOM 131 O THR A 9 0.594 -6.319 -4.578 1.00 0.00 O ATOM 132 CB THR A 9 2.055 -4.674 -2.448 1.00 0.00 C ATOM 133 OG1 THR A 9 1.480 -3.880 -1.427 1.00 0.00 O ATOM 134 CG2 THR A 9 3.573 -4.466 -2.422 1.00 0.00 C ATOM 0 H THR A 9 1.350 -2.456 -2.820 1.00 0.00 H new ATOM 0 HA THR A 9 2.222 -4.393 -4.616 1.00 0.00 H new ATOM 0 HB THR A 9 1.818 -5.725 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.841 -4.153 -0.558 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.965 -4.765 -1.450 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.036 -5.070 -3.202 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.799 -3.414 -2.596 1.00 0.00 H new ATOM 142 N LEU A 10 -0.905 -4.657 -4.319 1.00 0.00 N ATOM 143 CA LEU A 10 -2.095 -5.416 -4.705 1.00 0.00 C ATOM 144 C LEU A 10 -2.951 -4.614 -5.687 1.00 0.00 C ATOM 145 O LEU A 10 -4.171 -4.723 -5.682 1.00 0.00 O ATOM 146 CB LEU A 10 -2.924 -5.882 -3.490 1.00 0.00 C ATOM 147 CG LEU A 10 -2.117 -6.385 -2.278 1.00 0.00 C ATOM 148 CD1 LEU A 10 -1.833 -5.232 -1.305 1.00 0.00 C ATOM 149 CD2 LEU A 10 -2.858 -7.500 -1.551 1.00 0.00 C ATOM 0 H LEU A 10 -1.110 -3.683 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.749 -6.321 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.553 -5.054 -3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.591 -6.681 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.172 -6.781 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.262 -5.606 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.260 -4.458 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.775 -4.812 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.266 -7.836 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.820 -7.128 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.019 -8.335 -2.233 1.00 0.00 H new ATOM 161 N LYS A 11 -2.327 -3.769 -6.516 1.00 0.00 N ATOM 162 CA LYS A 11 -3.016 -3.111 -7.622 1.00 0.00 C ATOM 163 C LYS A 11 -2.362 -3.562 -8.917 1.00 0.00 C ATOM 164 O LYS A 11 -2.806 -4.571 -9.450 1.00 0.00 O ATOM 165 CB LYS A 11 -3.075 -1.597 -7.379 1.00 0.00 C ATOM 166 CG LYS A 11 -3.911 -0.829 -8.418 1.00 0.00 C ATOM 167 CD LYS A 11 -3.035 0.089 -9.272 1.00 0.00 C ATOM 168 CE LYS A 11 -3.847 0.806 -10.344 1.00 0.00 C ATOM 169 NZ LYS A 11 -2.976 1.676 -11.158 1.00 0.00 N ATOM 0 H LYS A 11 -1.339 -3.526 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.064 -3.401 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.489 -1.414 -6.387 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.060 -1.199 -7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.434 -1.537 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.672 -0.238 -7.909 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.547 0.824 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.246 -0.497 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.341 0.075 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.631 1.402 -9.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.546 2.157 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.524 2.385 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.243 1.100 -11.619 1.00 0.00 H new ATOM 183 N ARG A 12 -1.276 -2.908 -9.350 1.00 0.00 N ATOM 184 CA ARG A 12 -0.638 -3.090 -10.661 1.00 0.00 C ATOM 185 C ARG A 12 -0.469 -4.564 -11.056 1.00 0.00 C ATOM 186 O ARG A 12 -1.314 -5.088 -11.774 1.00 0.00 O ATOM 187 CB ARG A 12 0.683 -2.292 -10.700 1.00 0.00 C ATOM 188 CG ARG A 12 0.612 -0.910 -11.367 1.00 0.00 C ATOM 189 CD ARG A 12 0.271 -0.947 -12.859 1.00 0.00 C ATOM 190 NE ARG A 12 1.065 -1.940 -13.598 1.00 0.00 N ATOM 191 CZ ARG A 12 1.099 -2.069 -14.923 1.00 0.00 C ATOM 192 NH1 ARG A 12 0.437 -1.218 -15.704 1.00 0.00 N ATOM 193 NH2 ARG A 12 1.782 -3.061 -15.467 1.00 0.00 N ATOM 0 H ARG A 12 -0.800 -2.212 -8.776 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.304 -2.690 -11.425 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.037 -2.163 -9.677 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.430 -2.889 -11.223 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.136 -0.308 -10.850 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.571 -0.408 -11.238 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.789 -1.172 -12.980 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.438 0.040 -13.290 1.00 0.00 H new ATOM 0 HE ARG A 12 1.637 -2.583 -13.050 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.103 -0.459 -15.289 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.469 -1.325 -16.718 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.280 -3.724 -14.873 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.811 -3.164 -16.481 1.00 0.00 H new ATOM 207 N GLY A 13 0.599 -5.222 -10.602 1.00 0.00 N ATOM 208 CA GLY A 13 0.921 -6.598 -10.977 1.00 0.00 C ATOM 209 C GLY A 13 2.003 -7.204 -10.081 1.00 0.00 C ATOM 210 O GLY A 13 2.612 -8.214 -10.425 1.00 0.00 O ATOM 0 H GLY A 13 1.272 -4.809 -9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.020 -7.209 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.256 -6.621 -12.014 1.00 0.00 H new ATOM 214 N GLN A 14 2.259 -6.563 -8.933 1.00 0.00 N ATOM 215 CA GLN A 14 3.212 -6.994 -7.921 1.00 0.00 C ATOM 216 C GLN A 14 2.961 -8.450 -7.523 1.00 0.00 C ATOM 217 O GLN A 14 1.808 -8.888 -7.520 1.00 0.00 O ATOM 218 CB GLN A 14 3.088 -6.095 -6.680 1.00 0.00 C ATOM 219 CG GLN A 14 4.033 -4.885 -6.706 1.00 0.00 C ATOM 220 CD GLN A 14 3.606 -3.741 -7.625 1.00 0.00 C ATOM 221 OE1 GLN A 14 4.388 -2.861 -7.944 1.00 0.00 O ATOM 222 NE2 GLN A 14 2.341 -3.628 -7.994 1.00 0.00 N ATOM 0 H GLN A 14 1.785 -5.696 -8.681 1.00 0.00 H new ATOM 0 HA GLN A 14 4.217 -6.915 -8.336 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.060 -5.742 -6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.294 -6.688 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.128 -4.498 -5.692 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.023 -5.224 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.669 -4.351 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.038 -2.817 -8.534 1.00 0.00 H new ATOM 231 N PRO A 15 3.996 -9.147 -7.017 1.00 0.00 N ATOM 232 CA PRO A 15 3.960 -10.582 -6.733 1.00 0.00 C ATOM 233 C PRO A 15 2.967 -10.970 -5.629 1.00 0.00 C ATOM 234 O PRO A 15 2.815 -12.159 -5.338 1.00 0.00 O ATOM 235 CB PRO A 15 5.403 -10.943 -6.336 1.00 0.00 C ATOM 236 CG PRO A 15 5.963 -9.636 -5.792 1.00 0.00 C ATOM 237 CD PRO A 15 5.304 -8.599 -6.681 1.00 0.00 C ATOM 0 HA PRO A 15 3.609 -11.132 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.426 -11.733 -5.585 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.977 -11.300 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.708 -9.491 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.050 -9.600 -5.864 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.208 -7.644 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.896 -8.418 -7.578 1.00 0.00 H new ATOM 245 N ASN A 16 2.315 -9.989 -5.000 1.00 0.00 N ATOM 246 CA ASN A 16 1.548 -10.144 -3.787 1.00 0.00 C ATOM 247 C ASN A 16 0.062 -9.982 -4.052 1.00 0.00 C ATOM 248 O ASN A 16 -0.684 -10.251 -3.129 1.00 0.00 O ATOM 249 CB ASN A 16 1.968 -9.112 -2.719 1.00 0.00 C ATOM 250 CG ASN A 16 3.468 -8.854 -2.703 1.00 0.00 C ATOM 251 OD1 ASN A 16 4.265 -9.705 -2.339 1.00 0.00 O ATOM 252 ND2 ASN A 16 3.885 -7.696 -3.188 1.00 0.00 N ATOM 0 H ASN A 16 2.315 -9.030 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 16 1.748 -11.150 -3.419 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.445 -8.173 -2.902 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.655 -9.465 -1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.884 -7.504 -3.262 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.207 -6.995 -3.488 1.00 0.00 H new ATOM 259 N HIS A 17 -0.406 -9.546 -5.231 1.00 0.00 N ATOM 260 CA HIS A 17 -1.830 -9.238 -5.430 1.00 0.00 C ATOM 261 C HIS A 17 -2.682 -10.444 -5.021 1.00 0.00 C ATOM 262 O HIS A 17 -3.592 -10.286 -4.209 1.00 0.00 O ATOM 263 CB HIS A 17 -2.081 -8.755 -6.881 1.00 0.00 C ATOM 264 CG HIS A 17 -3.422 -8.093 -7.185 1.00 0.00 C ATOM 265 ND1 HIS A 17 -3.622 -6.979 -7.979 1.00 0.00 N ATOM 266 CD2 HIS A 17 -4.671 -8.558 -6.863 1.00 0.00 C ATOM 267 CE1 HIS A 17 -4.945 -6.764 -8.082 1.00 0.00 C ATOM 268 NE2 HIS A 17 -5.634 -7.714 -7.430 1.00 0.00 N ATOM 0 H HIS A 17 0.176 -9.400 -6.056 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.132 -8.412 -4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.292 -8.050 -7.141 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.972 -9.613 -7.544 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.890 -6.416 -8.413 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.879 -9.435 -6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.393 -5.939 -8.617 1.00 0.00 H new ATOM 276 N LYS A 18 -2.315 -11.654 -5.459 1.00 0.00 N ATOM 277 CA LYS A 18 -2.954 -12.930 -5.104 1.00 0.00 C ATOM 278 C LYS A 18 -3.151 -13.171 -3.606 1.00 0.00 C ATOM 279 O LYS A 18 -3.998 -13.985 -3.258 1.00 0.00 O ATOM 280 CB LYS A 18 -2.158 -14.076 -5.751 1.00 0.00 C ATOM 281 CG LYS A 18 -0.721 -14.287 -5.222 1.00 0.00 C ATOM 282 CD LYS A 18 -0.650 -15.199 -3.988 1.00 0.00 C ATOM 283 CE LYS A 18 0.786 -15.682 -3.744 1.00 0.00 C ATOM 284 NZ LYS A 18 0.841 -16.770 -2.744 1.00 0.00 N ATOM 0 H LYS A 18 -1.530 -11.778 -6.099 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.970 -12.887 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.715 -15.003 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.106 -13.894 -6.824 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.109 -14.715 -6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.288 -13.318 -4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.010 -14.660 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.308 -16.057 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.216 -16.030 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.397 -14.846 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.828 -17.067 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.454 -16.431 -1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.279 -17.578 -3.079 1.00 0.00 H new ATOM 298 N VAL A 19 -2.452 -12.495 -2.693 1.00 0.00 N ATOM 299 CA VAL A 19 -2.715 -12.701 -1.271 1.00 0.00 C ATOM 300 C VAL A 19 -4.130 -12.274 -0.895 1.00 0.00 C ATOM 301 O VAL A 19 -4.653 -12.822 0.079 1.00 0.00 O ATOM 302 CB VAL A 19 -1.664 -12.014 -0.371 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.260 -12.551 -0.678 1.00 0.00 C ATOM 304 CG2 VAL A 19 -1.702 -10.482 -0.415 1.00 0.00 C ATOM 0 H VAL A 19 -1.719 -11.818 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.631 -13.773 -1.092 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.929 -12.272 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.468 -12.056 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.234 -13.625 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.015 -12.354 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.933 -10.080 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.520 -10.143 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.681 -10.133 -0.086 1.00 0.00 H new ATOM 314 N MET A 20 -4.784 -11.368 -1.643 1.00 0.00 N ATOM 315 CA MET A 20 -6.128 -10.943 -1.273 1.00 0.00 C ATOM 316 C MET A 20 -7.180 -11.846 -1.916 1.00 0.00 C ATOM 317 O MET A 20 -8.369 -11.600 -1.751 1.00 0.00 O ATOM 318 CB MET A 20 -6.358 -9.445 -1.545 1.00 0.00 C ATOM 319 CG MET A 20 -6.454 -9.067 -3.029 1.00 0.00 C ATOM 320 SD MET A 20 -7.522 -7.668 -3.471 1.00 0.00 S ATOM 321 CE MET A 20 -6.806 -6.377 -2.430 1.00 0.00 C ATOM 0 H MET A 20 -4.409 -10.931 -2.485 1.00 0.00 H new ATOM 0 HA MET A 20 -6.235 -11.058 -0.194 1.00 0.00 H new ATOM 0 HB2 MET A 20 -7.277 -9.137 -1.046 1.00 0.00 H new ATOM 0 HB3 MET A 20 -5.544 -8.879 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.448 -8.848 -3.386 1.00 0.00 H new ATOM 0 HG3 MET A 20 -6.803 -9.942 -3.577 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.950 -5.406 -2.904 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.295 -6.382 -1.456 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.740 -6.563 -2.301 1.00 0.00 H new ATOM 331 N LEU A 21 -6.750 -12.848 -2.691 1.00 0.00 N ATOM 332 CA LEU A 21 -7.556 -13.687 -3.553 1.00 0.00 C ATOM 333 C LEU A 21 -7.918 -14.987 -2.826 1.00 0.00 C ATOM 334 O LEU A 21 -8.395 -15.921 -3.464 1.00 0.00 O ATOM 335 CB LEU A 21 -6.800 -13.973 -4.870 1.00 0.00 C ATOM 336 CG LEU A 21 -6.726 -12.808 -5.850 1.00 0.00 C ATOM 337 CD1 LEU A 21 -5.972 -11.586 -5.424 1.00 0.00 C ATOM 338 CD2 LEU A 21 -6.241 -13.230 -7.232 1.00 0.00 C ATOM 0 H LEU A 21 -5.763 -13.102 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.482 -13.168 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.784 -14.284 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.280 -14.815 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.772 -12.503 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.004 -10.842 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.427 -11.173 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.935 -11.852 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.208 -12.360 -7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.243 -13.661 -7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.924 -13.971 -7.647 1.00 0.00 H new ATOM 350 N ASP A 22 -7.645 -15.101 -1.526 1.00 0.00 N ATOM 351 CA ASP A 22 -7.908 -16.302 -0.744 1.00 0.00 C ATOM 352 C ASP A 22 -8.663 -15.913 0.516 1.00 0.00 C ATOM 353 O ASP A 22 -8.094 -15.269 1.397 1.00 0.00 O ATOM 354 CB ASP A 22 -6.582 -16.999 -0.420 1.00 0.00 C ATOM 355 CG ASP A 22 -6.773 -18.404 0.157 1.00 0.00 C ATOM 356 OD1 ASP A 22 -7.870 -18.775 0.624 1.00 0.00 O ATOM 357 OD2 ASP A 22 -5.811 -19.201 0.033 1.00 0.00 O ATOM 0 H ASP A 22 -7.228 -14.347 -0.981 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.523 -17.003 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.980 -17.063 -1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.023 -16.392 0.292 1.00 0.00 H new ATOM 362 N HIS A 23 -9.940 -16.279 0.616 1.00 0.00 N ATOM 363 CA HIS A 23 -10.801 -15.897 1.732 1.00 0.00 C ATOM 364 C HIS A 23 -10.281 -16.354 3.105 1.00 0.00 C ATOM 365 O HIS A 23 -10.610 -15.748 4.126 1.00 0.00 O ATOM 366 CB HIS A 23 -12.197 -16.448 1.455 1.00 0.00 C ATOM 367 CG HIS A 23 -13.208 -16.073 2.496 1.00 0.00 C ATOM 368 ND1 HIS A 23 -13.839 -16.915 3.382 1.00 0.00 N ATOM 369 CD2 HIS A 23 -13.637 -14.803 2.736 1.00 0.00 C ATOM 370 CE1 HIS A 23 -14.681 -16.162 4.108 1.00 0.00 C ATOM 371 NE2 HIS A 23 -14.596 -14.866 3.752 1.00 0.00 N ATOM 0 H HIS A 23 -10.410 -16.855 -0.083 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.816 -14.809 1.794 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.536 -16.085 0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.143 -17.535 1.388 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -13.298 -13.909 2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.338 -16.544 4.875 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.125 -14.087 4.144 1.00 0.00 H new ATOM 379 N SER A 24 -9.439 -17.385 3.150 1.00 0.00 N ATOM 380 CA SER A 24 -8.779 -17.803 4.387 1.00 0.00 C ATOM 381 C SER A 24 -7.630 -16.873 4.792 1.00 0.00 C ATOM 382 O SER A 24 -7.337 -16.738 5.986 1.00 0.00 O ATOM 383 CB SER A 24 -8.331 -19.244 4.299 1.00 0.00 C ATOM 384 OG SER A 24 -9.451 -20.080 4.091 1.00 0.00 O ATOM 0 H SER A 24 -9.196 -17.951 2.337 1.00 0.00 H new ATOM 0 HA SER A 24 -9.520 -17.727 5.183 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.619 -19.364 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.816 -19.531 5.216 1.00 0.00 H new ATOM 0 HG SER A 24 -9.157 -21.013 4.033 1.00 0.00 H new ATOM 390 N HIS A 25 -7.001 -16.173 3.838 1.00 0.00 N ATOM 391 CA HIS A 25 -6.208 -15.009 4.181 1.00 0.00 C ATOM 392 C HIS A 25 -7.206 -13.939 4.629 1.00 0.00 C ATOM 393 O HIS A 25 -7.023 -13.359 5.699 1.00 0.00 O ATOM 394 CB HIS A 25 -5.336 -14.535 3.010 1.00 0.00 C ATOM 395 CG HIS A 25 -4.215 -15.428 2.551 1.00 0.00 C ATOM 396 ND1 HIS A 25 -3.389 -15.091 1.510 1.00 0.00 N ATOM 397 CD2 HIS A 25 -3.696 -16.545 3.153 1.00 0.00 C ATOM 398 CE1 HIS A 25 -2.373 -15.966 1.486 1.00 0.00 C ATOM 399 NE2 HIS A 25 -2.533 -16.895 2.448 1.00 0.00 N ATOM 0 H HIS A 25 -7.031 -16.395 2.843 1.00 0.00 H new ATOM 0 HA HIS A 25 -5.498 -15.240 4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.991 -14.358 2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.904 -13.573 3.285 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -3.524 -14.311 0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.105 -17.060 4.010 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.545 -15.931 0.794 1.00 0.00 H new ATOM 407 N GLY A 26 -8.265 -13.681 3.856 1.00 0.00 N ATOM 408 CA GLY A 26 -9.357 -12.805 4.245 1.00 0.00 C ATOM 409 C GLY A 26 -10.118 -12.277 3.037 1.00 0.00 C ATOM 410 O GLY A 26 -9.799 -12.561 1.882 1.00 0.00 O ATOM 0 H GLY A 26 -8.383 -14.086 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.042 -13.346 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.963 -11.967 4.821 1.00 0.00 H new ATOM 414 N LEU A 27 -11.133 -11.471 3.325 1.00 0.00 N ATOM 415 CA LEU A 27 -11.988 -10.835 2.338 1.00 0.00 C ATOM 416 C LEU A 27 -11.337 -9.575 1.769 1.00 0.00 C ATOM 417 O LEU A 27 -10.832 -8.763 2.546 1.00 0.00 O ATOM 418 CB LEU A 27 -13.272 -10.434 3.063 1.00 0.00 C ATOM 419 CG LEU A 27 -14.359 -9.903 2.118 1.00 0.00 C ATOM 420 CD1 LEU A 27 -14.887 -11.058 1.267 1.00 0.00 C ATOM 421 CD2 LEU A 27 -15.497 -9.283 2.920 1.00 0.00 C ATOM 0 H LEU A 27 -11.389 -11.236 4.284 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.172 -11.521 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.660 -11.296 3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.039 -9.670 3.805 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.935 -9.135 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.660 -10.689 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.070 -11.484 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.308 -11.826 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -16.261 -8.910 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.932 -10.037 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.112 -8.458 3.520 1.00 0.00 H new ATOM 433 N ALA A 28 -11.438 -9.361 0.456 1.00 0.00 N ATOM 434 CA ALA A 28 -11.186 -8.078 -0.187 1.00 0.00 C ATOM 435 C ALA A 28 -12.055 -7.951 -1.438 1.00 0.00 C ATOM 436 O ALA A 28 -11.914 -8.756 -2.359 1.00 0.00 O ATOM 437 CB ALA A 28 -9.709 -7.953 -0.560 1.00 0.00 C ATOM 0 H ALA A 28 -11.704 -10.094 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.438 -7.277 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.535 -6.990 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.099 -8.026 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.438 -8.755 -1.247 1.00 0.00 H new ATOM 443 N ALA A 29 -12.911 -6.932 -1.509 1.00 0.00 N ATOM 444 CA ALA A 29 -13.833 -6.704 -2.619 1.00 0.00 C ATOM 445 C ALA A 29 -13.567 -5.334 -3.242 1.00 0.00 C ATOM 446 O ALA A 29 -13.543 -4.345 -2.507 1.00 0.00 O ATOM 447 CB ALA A 29 -15.267 -6.824 -2.095 1.00 0.00 C ATOM 0 H ALA A 29 -12.984 -6.225 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.685 -7.449 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.968 -6.656 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.422 -7.821 -1.683 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.433 -6.080 -1.316 1.00 0.00 H new ATOM 453 N PHE A 30 -13.330 -5.296 -4.560 1.00 0.00 N ATOM 454 CA PHE A 30 -13.038 -4.102 -5.356 1.00 0.00 C ATOM 455 C PHE A 30 -14.221 -3.134 -5.327 1.00 0.00 C ATOM 456 O PHE A 30 -15.143 -3.204 -6.144 1.00 0.00 O ATOM 457 CB PHE A 30 -12.676 -4.490 -6.801 1.00 0.00 C ATOM 458 CG PHE A 30 -12.517 -3.321 -7.762 1.00 0.00 C ATOM 459 CD1 PHE A 30 -11.382 -2.494 -7.696 1.00 0.00 C ATOM 460 CD2 PHE A 30 -13.517 -3.047 -8.719 1.00 0.00 C ATOM 461 CE1 PHE A 30 -11.239 -1.425 -8.598 1.00 0.00 C ATOM 462 CE2 PHE A 30 -13.378 -1.969 -9.608 1.00 0.00 C ATOM 463 CZ PHE A 30 -12.227 -1.171 -9.564 1.00 0.00 C ATOM 0 H PHE A 30 -13.338 -6.144 -5.127 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.178 -3.596 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.745 -5.057 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.449 -5.155 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.621 -2.680 -6.953 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -14.397 -3.672 -8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.363 -0.795 -8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -14.157 -1.755 -10.325 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.100 -0.364 -10.270 1.00 0.00 H new ATOM 473 N ARG A 31 -14.181 -2.193 -4.394 1.00 0.00 N ATOM 474 CA ARG A 31 -15.170 -1.138 -4.255 1.00 0.00 C ATOM 475 C ARG A 31 -14.659 0.099 -4.976 1.00 0.00 C ATOM 476 O ARG A 31 -14.520 1.169 -4.379 1.00 0.00 O ATOM 477 CB ARG A 31 -15.407 -0.892 -2.760 1.00 0.00 C ATOM 478 CG ARG A 31 -16.354 -1.844 -2.036 1.00 0.00 C ATOM 479 CD ARG A 31 -17.754 -1.840 -2.639 1.00 0.00 C ATOM 480 NE ARG A 31 -18.718 -2.450 -1.713 1.00 0.00 N ATOM 481 CZ ARG A 31 -19.969 -2.021 -1.539 1.00 0.00 C ATOM 482 NH1 ARG A 31 -20.493 -1.104 -2.351 1.00 0.00 N ATOM 483 NH2 ARG A 31 -20.659 -2.514 -0.519 1.00 0.00 N ATOM 0 H ARG A 31 -13.439 -2.143 -3.695 1.00 0.00 H new ATOM 0 HA ARG A 31 -16.125 -1.412 -4.703 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.442 -0.928 -2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.791 0.121 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.948 -2.855 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.413 -1.563 -0.984 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.056 -0.817 -2.865 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.751 -2.387 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.410 -3.255 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.936 -0.722 -3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -21.451 -0.784 -2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.230 -3.199 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.618 -2.208 -0.357 1.00 0.00 H new ATOM 497 N GLY A 32 -14.447 -0.022 -6.281 1.00 0.00 N ATOM 498 CA GLY A 32 -14.084 1.134 -7.063 1.00 0.00 C ATOM 499 C GLY A 32 -12.626 1.512 -6.832 1.00 0.00 C ATOM 500 O GLY A 32 -11.776 0.695 -6.467 1.00 0.00 O ATOM 0 H GLY A 32 -14.520 -0.895 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.247 0.928 -8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.727 1.973 -6.799 1.00 0.00 H new ATOM 504 N ARG A 33 -12.299 2.755 -7.166 1.00 0.00 N ATOM 505 CA ARG A 33 -10.920 3.189 -7.394 1.00 0.00 C ATOM 506 C ARG A 33 -10.604 4.441 -6.581 1.00 0.00 C ATOM 507 O ARG A 33 -11.518 5.078 -6.067 1.00 0.00 O ATOM 508 CB ARG A 33 -10.664 3.385 -8.896 1.00 0.00 C ATOM 509 CG ARG A 33 -11.179 2.257 -9.801 1.00 0.00 C ATOM 510 CD ARG A 33 -10.719 2.478 -11.240 1.00 0.00 C ATOM 511 NE ARG A 33 -11.320 3.670 -11.863 1.00 0.00 N ATOM 512 CZ ARG A 33 -11.167 4.043 -13.139 1.00 0.00 C ATOM 513 NH1 ARG A 33 -10.384 3.350 -13.955 1.00 0.00 N ATOM 514 NH2 ARG A 33 -11.785 5.114 -13.613 1.00 0.00 N ATOM 0 H ARG A 33 -12.987 3.498 -7.288 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.240 2.410 -7.048 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.129 4.320 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.591 3.494 -9.054 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.813 1.296 -9.439 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.268 2.219 -9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.633 2.575 -11.257 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.970 1.599 -11.834 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.903 4.262 -11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.892 2.525 -13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.274 3.642 -14.926 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.387 5.667 -13.003 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.659 5.386 -14.588 1.00 0.00 H new ATOM 528 N GLY A 34 -9.333 4.838 -6.472 1.00 0.00 N ATOM 529 CA GLY A 34 -8.958 6.013 -5.697 1.00 0.00 C ATOM 530 C GLY A 34 -7.479 6.336 -5.744 1.00 0.00 C ATOM 531 O GLY A 34 -6.677 5.582 -6.293 1.00 0.00 O ATOM 0 H GLY A 34 -8.548 4.358 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.519 6.872 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.253 5.860 -4.659 1.00 0.00 H new ATOM 535 N CYS A 35 -7.116 7.452 -5.127 1.00 0.00 N ATOM 536 CA CYS A 35 -5.748 7.922 -4.993 1.00 0.00 C ATOM 537 C CYS A 35 -5.569 8.568 -3.619 1.00 0.00 C ATOM 538 O CYS A 35 -6.547 9.023 -3.017 1.00 0.00 O ATOM 539 CB CYS A 35 -5.452 8.906 -6.129 1.00 0.00 C ATOM 540 SG CYS A 35 -6.681 10.232 -6.228 1.00 0.00 S ATOM 0 H CYS A 35 -7.794 8.077 -4.690 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.043 7.094 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.463 9.340 -5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.426 8.367 -7.076 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.377 11.034 -7.205 1.00 0.00 H new ATOM 546 N THR A 36 -4.334 8.633 -3.116 1.00 0.00 N ATOM 547 CA THR A 36 -4.060 9.429 -1.930 1.00 0.00 C ATOM 548 C THR A 36 -4.216 10.889 -2.356 1.00 0.00 C ATOM 549 O THR A 36 -3.545 11.337 -3.290 1.00 0.00 O ATOM 550 CB THR A 36 -2.685 9.104 -1.316 1.00 0.00 C ATOM 551 OG1 THR A 36 -1.602 9.478 -2.128 1.00 0.00 O ATOM 552 CG2 THR A 36 -2.531 7.624 -0.972 1.00 0.00 C ATOM 0 H THR A 36 -3.524 8.151 -3.507 1.00 0.00 H new ATOM 0 HA THR A 36 -4.758 9.201 -1.124 1.00 0.00 H new ATOM 0 HB THR A 36 -2.660 9.701 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.249 10.341 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.544 7.451 -0.543 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.296 7.337 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.643 7.027 -1.877 1.00 0.00 H new ATOM 560 N VAL A 37 -5.148 11.615 -1.743 1.00 0.00 N ATOM 561 CA VAL A 37 -5.267 13.049 -1.995 1.00 0.00 C ATOM 562 C VAL A 37 -4.061 13.738 -1.357 1.00 0.00 C ATOM 563 O VAL A 37 -3.417 14.600 -1.953 1.00 0.00 O ATOM 564 CB VAL A 37 -6.575 13.615 -1.412 1.00 0.00 C ATOM 565 CG1 VAL A 37 -6.951 14.871 -2.190 1.00 0.00 C ATOM 566 CG2 VAL A 37 -7.729 12.616 -1.456 1.00 0.00 C ATOM 0 H VAL A 37 -5.824 11.240 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.290 13.230 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.400 13.842 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.876 15.284 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.154 15.609 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.092 14.619 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.623 13.073 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.924 12.330 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.465 11.730 -0.878 1.00 0.00 H new ATOM 576 N GLU A 38 -3.764 13.307 -0.134 1.00 0.00 N ATOM 577 CA GLU A 38 -2.518 13.515 0.562 1.00 0.00 C ATOM 578 C GLU A 38 -1.392 12.923 -0.282 1.00 0.00 C ATOM 579 O GLU A 38 -1.401 11.731 -0.597 1.00 0.00 O ATOM 580 CB GLU A 38 -2.622 12.801 1.920 1.00 0.00 C ATOM 581 CG GLU A 38 -3.067 13.736 3.049 1.00 0.00 C ATOM 582 CD GLU A 38 -3.904 13.035 4.129 1.00 0.00 C ATOM 583 OE1 GLU A 38 -3.442 12.057 4.757 1.00 0.00 O ATOM 584 OE2 GLU A 38 -5.053 13.491 4.346 1.00 0.00 O ATOM 0 H GLU A 38 -4.432 12.773 0.422 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.312 14.573 0.724 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.329 11.975 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.654 12.368 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.185 14.178 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.648 14.555 2.625 1.00 0.00 H new ATOM 591 N SER A 39 -0.402 13.737 -0.628 1.00 0.00 N ATOM 592 CA SER A 39 0.877 13.228 -1.090 1.00 0.00 C ATOM 593 C SER A 39 1.492 12.361 0.025 1.00 0.00 C ATOM 594 O SER A 39 1.298 12.689 1.199 1.00 0.00 O ATOM 595 CB SER A 39 1.781 14.422 -1.407 1.00 0.00 C ATOM 596 OG SER A 39 1.099 15.551 -1.924 1.00 0.00 O ATOM 0 H SER A 39 -0.464 14.755 -0.596 1.00 0.00 H new ATOM 0 HA SER A 39 0.760 12.619 -1.986 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.307 14.715 -0.499 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.537 14.109 -2.127 1.00 0.00 H new ATOM 0 HG SER A 39 1.742 16.270 -2.099 1.00 0.00 H new ATOM 602 N PHE A 40 2.270 11.322 -0.295 1.00 0.00 N ATOM 603 CA PHE A 40 3.126 10.667 0.689 1.00 0.00 C ATOM 604 C PHE A 40 4.431 10.303 -0.045 1.00 0.00 C ATOM 605 O PHE A 40 4.414 10.028 -1.241 1.00 0.00 O ATOM 606 CB PHE A 40 2.423 9.373 1.121 1.00 0.00 C ATOM 607 CG PHE A 40 1.355 9.566 2.170 1.00 0.00 C ATOM 608 CD1 PHE A 40 1.679 9.719 3.528 1.00 0.00 C ATOM 609 CD2 PHE A 40 0.016 9.645 1.750 1.00 0.00 C ATOM 610 CE1 PHE A 40 0.658 9.972 4.462 1.00 0.00 C ATOM 611 CE2 PHE A 40 -1.001 9.862 2.690 1.00 0.00 C ATOM 612 CZ PHE A 40 -0.685 10.029 4.046 1.00 0.00 C ATOM 0 H PHE A 40 2.322 10.919 -1.230 1.00 0.00 H new ATOM 0 HA PHE A 40 3.323 11.297 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.974 8.907 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.170 8.678 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.706 9.643 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.229 9.539 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.906 10.123 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.031 9.901 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.469 10.201 4.768 1.00 0.00 H new ATOM 622 N PRO A 41 5.565 10.200 0.658 1.00 0.00 N ATOM 623 CA PRO A 41 6.888 9.887 0.104 1.00 0.00 C ATOM 624 C PRO A 41 7.071 8.401 -0.168 1.00 0.00 C ATOM 625 O PRO A 41 7.600 7.669 0.678 1.00 0.00 O ATOM 626 CB PRO A 41 7.889 10.379 1.158 1.00 0.00 C ATOM 627 CG PRO A 41 7.070 10.348 2.436 1.00 0.00 C ATOM 628 CD PRO A 41 5.681 10.718 1.999 1.00 0.00 C ATOM 0 HA PRO A 41 7.028 10.370 -0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.762 9.730 1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.253 11.382 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.092 9.361 2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.456 11.053 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.930 10.282 2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.535 11.798 2.020 1.00 0.00 H new ATOM 636 N LEU A 42 6.598 7.899 -1.301 1.00 0.00 N ATOM 637 CA LEU A 42 6.818 6.503 -1.631 1.00 0.00 C ATOM 638 C LEU A 42 8.256 6.372 -2.137 1.00 0.00 C ATOM 639 O LEU A 42 8.634 7.058 -3.089 1.00 0.00 O ATOM 640 CB LEU A 42 5.780 6.050 -2.674 1.00 0.00 C ATOM 641 CG LEU A 42 5.370 4.573 -2.631 1.00 0.00 C ATOM 642 CD1 LEU A 42 4.618 4.233 -3.921 1.00 0.00 C ATOM 643 CD2 LEU A 42 6.525 3.594 -2.444 1.00 0.00 C ATOM 0 H LEU A 42 6.069 8.429 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 42 6.691 5.856 -0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.883 6.657 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.176 6.266 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 42 4.741 4.456 -1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.321 3.185 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.730 4.861 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.267 4.411 -4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.139 2.575 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.229 3.700 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.033 3.806 -1.503 1.00 0.00 H new ATOM 655 N VAL A 43 9.071 5.519 -1.509 1.00 0.00 N ATOM 656 CA VAL A 43 10.432 5.227 -1.965 1.00 0.00 C ATOM 657 C VAL A 43 10.697 3.746 -1.945 1.00 0.00 C ATOM 658 O VAL A 43 10.293 3.083 -0.993 1.00 0.00 O ATOM 659 CB VAL A 43 11.521 5.890 -1.097 1.00 0.00 C ATOM 660 CG1 VAL A 43 11.847 7.275 -1.647 1.00 0.00 C ATOM 661 CG2 VAL A 43 11.226 5.926 0.419 1.00 0.00 C ATOM 0 H VAL A 43 8.803 5.010 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 43 10.486 5.631 -2.976 1.00 0.00 H new ATOM 0 HB VAL A 43 12.398 5.247 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.617 7.739 -1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.208 7.184 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.949 7.893 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.052 6.412 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.307 6.484 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.111 4.908 0.792 1.00 0.00 H new ATOM 671 N ILE A 44 11.478 3.283 -2.921 1.00 0.00 N ATOM 672 CA ILE A 44 12.061 1.954 -2.997 1.00 0.00 C ATOM 673 C ILE A 44 13.405 2.017 -2.273 1.00 0.00 C ATOM 674 O ILE A 44 14.470 2.080 -2.890 1.00 0.00 O ATOM 675 CB ILE A 44 12.127 1.464 -4.464 1.00 0.00 C ATOM 676 CG1 ILE A 44 10.730 1.486 -5.136 1.00 0.00 C ATOM 677 CG2 ILE A 44 12.662 0.021 -4.477 1.00 0.00 C ATOM 678 CD1 ILE A 44 10.721 1.338 -6.650 1.00 0.00 C ATOM 0 H ILE A 44 11.732 3.862 -3.722 1.00 0.00 H new ATOM 0 HA ILE A 44 11.448 1.202 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 44 12.784 2.132 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.129 0.684 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.239 2.424 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.714 -0.338 -5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.657 -0.002 -4.034 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.994 -0.620 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.693 1.367 -7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.287 2.154 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.176 0.386 -6.925 1.00 0.00 H new ATOM 690 N ALA A 45 13.333 2.027 -0.943 1.00 0.00 N ATOM 691 CA ALA A 45 14.498 1.843 -0.098 1.00 0.00 C ATOM 692 C ALA A 45 14.808 0.326 -0.034 1.00 0.00 C ATOM 693 O ALA A 45 14.122 -0.482 -0.671 1.00 0.00 O ATOM 694 CB ALA A 45 14.202 2.392 1.297 1.00 0.00 C ATOM 0 H ALA A 45 12.464 2.163 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 45 15.360 2.376 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.075 2.255 1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.966 3.454 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.353 1.859 1.725 1.00 0.00 H new ATOM 700 N GLY A 46 15.759 -0.084 0.808 1.00 0.00 N ATOM 701 CA GLY A 46 15.961 -1.469 1.214 1.00 0.00 C ATOM 702 C GLY A 46 16.800 -2.249 0.205 1.00 0.00 C ATOM 703 O GLY A 46 16.640 -2.128 -1.011 1.00 0.00 O ATOM 0 H GLY A 46 16.426 0.559 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.451 -1.493 2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.993 -1.956 1.333 1.00 0.00 H new ATOM 707 N GLU A 47 17.668 -3.131 0.703 1.00 0.00 N ATOM 708 CA GLU A 47 18.633 -3.853 -0.134 1.00 0.00 C ATOM 709 C GLU A 47 17.993 -5.003 -0.926 1.00 0.00 C ATOM 710 O GLU A 47 18.677 -5.719 -1.662 1.00 0.00 O ATOM 711 CB GLU A 47 19.804 -4.356 0.723 1.00 0.00 C ATOM 712 CG GLU A 47 21.167 -4.437 0.004 1.00 0.00 C ATOM 713 CD GLU A 47 21.683 -3.132 -0.638 1.00 0.00 C ATOM 714 OE1 GLU A 47 21.061 -2.054 -0.479 1.00 0.00 O ATOM 715 OE2 GLU A 47 22.664 -3.204 -1.413 1.00 0.00 O ATOM 0 H GLU A 47 17.724 -3.366 1.694 1.00 0.00 H new ATOM 0 HA GLU A 47 19.010 -3.147 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 47 19.907 -3.700 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 47 19.554 -5.347 1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 47 21.912 -4.782 0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 47 21.098 -5.197 -0.775 1.00 0.00 H new ATOM 722 N HIS A 48 16.678 -5.181 -0.808 1.00 0.00 N ATOM 723 CA HIS A 48 15.878 -6.074 -1.631 1.00 0.00 C ATOM 724 C HIS A 48 14.785 -5.310 -2.386 1.00 0.00 C ATOM 725 O HIS A 48 13.823 -5.922 -2.859 1.00 0.00 O ATOM 726 CB HIS A 48 15.333 -7.194 -0.744 1.00 0.00 C ATOM 727 CG HIS A 48 16.309 -8.319 -0.651 1.00 0.00 C ATOM 728 ND1 HIS A 48 16.550 -9.240 -1.641 1.00 0.00 N ATOM 729 CD2 HIS A 48 17.093 -8.619 0.422 1.00 0.00 C ATOM 730 CE1 HIS A 48 17.499 -10.069 -1.192 1.00 0.00 C ATOM 731 NE2 HIS A 48 17.842 -9.752 0.076 1.00 0.00 N ATOM 0 H HIS A 48 16.124 -4.686 -0.109 1.00 0.00 H new ATOM 0 HA HIS A 48 16.495 -6.526 -2.407 1.00 0.00 H new ATOM 0 HB2 HIS A 48 15.123 -6.805 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 48 14.389 -7.558 -1.149 1.00 0.00 H new ATOM 0 HD1 HIS A 48 16.090 -9.284 -2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 48 17.130 -8.086 1.360 1.00 0.00 H new ATOM 0 HE1 HIS A 48 17.930 -10.878 -1.763 1.00 0.00 H new ATOM 739 N ASN A 49 14.935 -3.982 -2.492 1.00 0.00 N ATOM 740 CA ASN A 49 13.968 -3.050 -3.056 1.00 0.00 C ATOM 741 C ASN A 49 12.626 -3.267 -2.375 1.00 0.00 C ATOM 742 O ASN A 49 11.676 -3.795 -2.955 1.00 0.00 O ATOM 743 CB ASN A 49 13.892 -3.213 -4.573 1.00 0.00 C ATOM 744 CG ASN A 49 15.149 -2.762 -5.293 1.00 0.00 C ATOM 745 OD1 ASN A 49 15.711 -1.710 -4.987 1.00 0.00 O ATOM 746 ND2 ASN A 49 15.563 -3.535 -6.283 1.00 0.00 N ATOM 0 H ASN A 49 15.780 -3.512 -2.168 1.00 0.00 H new ATOM 0 HA ASN A 49 14.279 -2.021 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 49 13.703 -4.260 -4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 49 13.043 -2.643 -4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.381 -3.268 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.064 -4.398 -6.499 1.00 0.00 H new ATOM 753 N ILE A 50 12.573 -2.880 -1.109 1.00 0.00 N ATOM 754 CA ILE A 50 11.430 -3.000 -0.225 1.00 0.00 C ATOM 755 C ILE A 50 10.911 -1.573 -0.152 1.00 0.00 C ATOM 756 O ILE A 50 11.454 -0.807 0.642 1.00 0.00 O ATOM 757 CB ILE A 50 11.843 -3.592 1.149 1.00 0.00 C ATOM 758 CG1 ILE A 50 12.370 -5.037 0.987 1.00 0.00 C ATOM 759 CG2 ILE A 50 10.651 -3.596 2.123 1.00 0.00 C ATOM 760 CD1 ILE A 50 13.174 -5.529 2.195 1.00 0.00 C ATOM 0 H ILE A 50 13.374 -2.449 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 50 10.662 -3.690 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 50 12.636 -2.963 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.526 -5.708 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 50 12.996 -5.090 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.964 -4.015 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.299 -2.575 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.844 -4.201 1.708 1.00 0.00 H new ATOM 0 HD11 ILE A 50 13.514 -6.549 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 50 14.037 -4.881 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.544 -5.508 3.084 1.00 0.00 H new ATOM 772 N PRO A 51 10.046 -1.103 -1.066 1.00 0.00 N ATOM 773 CA PRO A 51 9.510 0.227 -0.905 1.00 0.00 C ATOM 774 C PRO A 51 8.617 0.302 0.317 1.00 0.00 C ATOM 775 O PRO A 51 7.868 -0.642 0.573 1.00 0.00 O ATOM 776 CB PRO A 51 8.752 0.559 -2.184 1.00 0.00 C ATOM 777 CG PRO A 51 8.409 -0.805 -2.772 1.00 0.00 C ATOM 778 CD PRO A 51 9.524 -1.726 -2.271 1.00 0.00 C ATOM 0 HA PRO A 51 10.306 0.955 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.854 1.142 -1.977 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.363 1.147 -2.869 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.430 -1.147 -2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.380 -0.772 -3.861 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.140 -2.724 -2.060 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.305 -1.838 -3.023 1.00 0.00 H new ATOM 786 N TRP A 52 8.646 1.442 1.002 1.00 0.00 N ATOM 787 CA TRP A 52 7.934 1.684 2.249 1.00 0.00 C ATOM 788 C TRP A 52 6.834 2.716 2.025 1.00 0.00 C ATOM 789 O TRP A 52 6.506 3.062 0.887 1.00 0.00 O ATOM 790 CB TRP A 52 8.933 2.092 3.345 1.00 0.00 C ATOM 791 CG TRP A 52 9.942 1.047 3.691 1.00 0.00 C ATOM 792 CD1 TRP A 52 11.044 0.779 2.965 1.00 0.00 C ATOM 793 CD2 TRP A 52 9.938 0.075 4.782 1.00 0.00 C ATOM 794 NE1 TRP A 52 11.714 -0.293 3.514 1.00 0.00 N ATOM 795 CE2 TRP A 52 11.070 -0.779 4.630 1.00 0.00 C ATOM 796 CE3 TRP A 52 9.071 -0.208 5.858 1.00 0.00 C ATOM 797 CZ2 TRP A 52 11.323 -1.859 5.489 1.00 0.00 C ATOM 798 CZ3 TRP A 52 9.324 -1.275 6.739 1.00 0.00 C ATOM 799 CH2 TRP A 52 10.448 -2.103 6.561 1.00 0.00 C ATOM 0 H TRP A 52 9.186 2.250 0.691 1.00 0.00 H new ATOM 0 HA TRP A 52 7.444 0.772 2.591 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.458 2.991 3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.377 2.353 4.245 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.356 1.322 2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.581 -0.679 3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.196 0.407 6.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.181 -2.496 5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.648 -1.461 7.561 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.636 -2.919 7.243 1.00 0.00 H new ATOM 810 N LEU A 53 6.229 3.201 3.111 1.00 0.00 N ATOM 811 CA LEU A 53 5.344 4.347 3.051 1.00 0.00 C ATOM 812 C LEU A 53 5.526 5.164 4.326 1.00 0.00 C ATOM 813 O LEU A 53 4.949 4.857 5.371 1.00 0.00 O ATOM 814 CB LEU A 53 3.900 3.882 2.796 1.00 0.00 C ATOM 815 CG LEU A 53 3.047 5.034 2.248 1.00 0.00 C ATOM 816 CD1 LEU A 53 3.236 5.256 0.739 1.00 0.00 C ATOM 817 CD2 LEU A 53 1.574 4.755 2.517 1.00 0.00 C ATOM 0 H LEU A 53 6.343 2.809 4.046 1.00 0.00 H new ATOM 0 HA LEU A 53 5.589 5.002 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.899 3.054 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.464 3.509 3.723 1.00 0.00 H new ATOM 0 HG LEU A 53 3.377 5.937 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.607 6.083 0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.280 5.491 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.955 4.351 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.971 5.575 2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.284 3.826 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.411 4.664 3.591 1.00 0.00 H new ATOM 829 N LEU A 54 6.428 6.140 4.262 1.00 0.00 N ATOM 830 CA LEU A 54 6.795 7.005 5.372 1.00 0.00 C ATOM 831 C LEU A 54 5.605 7.939 5.599 1.00 0.00 C ATOM 832 O LEU A 54 5.198 8.636 4.669 1.00 0.00 O ATOM 833 CB LEU A 54 8.077 7.818 5.079 1.00 0.00 C ATOM 834 CG LEU A 54 9.207 7.169 4.263 1.00 0.00 C ATOM 835 CD1 LEU A 54 10.464 8.052 4.294 1.00 0.00 C ATOM 836 CD2 LEU A 54 9.550 5.741 4.700 1.00 0.00 C ATOM 0 H LEU A 54 6.939 6.355 3.406 1.00 0.00 H new ATOM 0 HA LEU A 54 7.016 6.409 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.777 8.727 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.498 8.123 6.037 1.00 0.00 H new ATOM 0 HG LEU A 54 8.832 7.090 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.255 7.579 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.234 9.028 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.796 8.176 5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.356 5.353 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.868 5.746 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.670 5.106 4.592 1.00 0.00 H new ATOM 848 N TYR A 55 5.017 7.961 6.795 1.00 0.00 N ATOM 849 CA TYR A 55 3.835 8.790 7.046 1.00 0.00 C ATOM 850 C TYR A 55 4.211 10.281 7.045 1.00 0.00 C ATOM 851 O TYR A 55 4.551 10.837 8.091 1.00 0.00 O ATOM 852 CB TYR A 55 3.120 8.364 8.341 1.00 0.00 C ATOM 853 CG TYR A 55 1.728 8.964 8.521 1.00 0.00 C ATOM 854 CD1 TYR A 55 0.692 8.674 7.609 1.00 0.00 C ATOM 855 CD2 TYR A 55 1.453 9.801 9.619 1.00 0.00 C ATOM 856 CE1 TYR A 55 -0.596 9.217 7.783 1.00 0.00 C ATOM 857 CE2 TYR A 55 0.165 10.334 9.809 1.00 0.00 C ATOM 858 CZ TYR A 55 -0.862 10.064 8.880 1.00 0.00 C ATOM 859 OH TYR A 55 -2.093 10.620 9.070 1.00 0.00 O ATOM 0 H TYR A 55 5.335 7.420 7.599 1.00 0.00 H new ATOM 0 HA TYR A 55 3.124 8.636 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.038 7.277 8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.738 8.649 9.193 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.889 8.027 6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.238 10.036 10.322 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.380 8.985 7.077 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.039 10.953 10.670 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.081 11.172 9.880 1.00 0.00 H new ATOM 869 N LEU A 56 4.165 10.930 5.874 1.00 0.00 N ATOM 870 CA LEU A 56 4.409 12.361 5.703 1.00 0.00 C ATOM 871 C LEU A 56 3.323 12.930 4.774 1.00 0.00 C ATOM 872 O LEU A 56 3.587 13.142 3.587 1.00 0.00 O ATOM 873 CB LEU A 56 5.835 12.607 5.167 1.00 0.00 C ATOM 874 CG LEU A 56 6.449 14.004 5.431 1.00 0.00 C ATOM 875 CD1 LEU A 56 5.445 15.142 5.654 1.00 0.00 C ATOM 876 CD2 LEU A 56 7.418 14.001 6.619 1.00 0.00 C ATOM 0 H LEU A 56 3.950 10.456 4.996 1.00 0.00 H new ATOM 0 HA LEU A 56 4.350 12.877 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.496 11.858 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.827 12.437 4.090 1.00 0.00 H new ATOM 0 HG LEU A 56 6.971 14.206 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.984 16.073 5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.814 15.248 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.823 14.914 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.821 15.004 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.888 13.691 7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.235 13.307 6.421 1.00 0.00 H new ATOM 888 N PRO A 57 2.100 13.169 5.279 1.00 0.00 N ATOM 889 CA PRO A 57 1.005 13.679 4.466 1.00 0.00 C ATOM 890 C PRO A 57 1.358 15.054 3.886 1.00 0.00 C ATOM 891 O PRO A 57 1.661 15.999 4.624 1.00 0.00 O ATOM 892 CB PRO A 57 -0.229 13.693 5.371 1.00 0.00 C ATOM 893 CG PRO A 57 0.321 13.649 6.790 1.00 0.00 C ATOM 894 CD PRO A 57 1.671 12.954 6.655 1.00 0.00 C ATOM 0 HA PRO A 57 0.807 13.053 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.828 14.589 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.874 12.838 5.171 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.430 14.651 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.344 13.099 7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.394 13.367 7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.585 11.890 6.875 1.00 0.00 H new ATOM 902 N GLY A 58 1.343 15.154 2.557 1.00 0.00 N ATOM 903 CA GLY A 58 1.553 16.367 1.778 1.00 0.00 C ATOM 904 C GLY A 58 2.950 16.481 1.162 1.00 0.00 C ATOM 905 O GLY A 58 3.203 17.441 0.435 1.00 0.00 O ATOM 0 H GLY A 58 1.174 14.341 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.812 16.406 0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.378 17.232 2.418 1.00 0.00 H new ATOM 909 N LYS A 59 3.858 15.523 1.388 1.00 0.00 N ATOM 910 CA LYS A 59 5.165 15.433 0.734 1.00 0.00 C ATOM 911 C LYS A 59 5.176 14.262 -0.240 1.00 0.00 C ATOM 912 O LYS A 59 4.299 13.413 -0.180 1.00 0.00 O ATOM 913 CB LYS A 59 6.220 15.195 1.822 1.00 0.00 C ATOM 914 CG LYS A 59 6.796 16.496 2.382 1.00 0.00 C ATOM 915 CD LYS A 59 5.732 17.465 2.906 1.00 0.00 C ATOM 916 CE LYS A 59 6.286 18.477 3.903 1.00 0.00 C ATOM 917 NZ LYS A 59 5.318 19.571 4.098 1.00 0.00 N ATOM 0 H LYS A 59 3.696 14.766 2.053 1.00 0.00 H new ATOM 0 HA LYS A 59 5.375 16.351 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.775 14.621 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.029 14.591 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.488 16.259 3.190 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.374 16.992 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.288 17.998 2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.933 16.896 3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.491 17.988 4.855 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.232 18.878 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.702 20.257 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.143 20.046 3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.425 19.183 4.464 1.00 0.00 H new ATOM 931 N GLY A 60 6.199 14.141 -1.086 1.00 0.00 N ATOM 932 CA GLY A 60 6.540 12.831 -1.640 1.00 0.00 C ATOM 933 C GLY A 60 5.844 12.407 -2.938 1.00 0.00 C ATOM 934 O GLY A 60 6.238 11.423 -3.546 1.00 0.00 O ATOM 0 H GLY A 60 6.792 14.911 -1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.616 12.809 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.324 12.079 -0.881 1.00 0.00 H new ATOM 938 N HIS A 61 4.874 13.212 -3.336 1.00 0.00 N ATOM 939 CA HIS A 61 3.858 13.164 -4.396 1.00 0.00 C ATOM 940 C HIS A 61 2.717 12.199 -4.034 1.00 0.00 C ATOM 941 O HIS A 61 2.798 11.499 -3.031 1.00 0.00 O ATOM 942 CB HIS A 61 4.462 12.878 -5.778 1.00 0.00 C ATOM 943 CG HIS A 61 5.772 13.579 -6.060 1.00 0.00 C ATOM 944 ND1 HIS A 61 5.957 14.903 -6.395 1.00 0.00 N ATOM 945 CD2 HIS A 61 7.004 12.991 -5.990 1.00 0.00 C ATOM 946 CE1 HIS A 61 7.284 15.102 -6.509 1.00 0.00 C ATOM 947 NE2 HIS A 61 7.969 13.972 -6.254 1.00 0.00 N ATOM 0 H HIS A 61 4.756 14.086 -2.824 1.00 0.00 H new ATOM 0 HA HIS A 61 3.421 14.160 -4.468 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.614 11.803 -5.876 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.740 13.169 -6.541 1.00 0.00 H new ATOM 0 HD2 HIS A 61 7.199 11.952 -5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.739 16.046 -6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.982 13.854 -6.253 1.00 0.00 H new ATOM 955 N CYS A 62 1.597 12.230 -4.763 1.00 0.00 N ATOM 956 CA CYS A 62 0.452 11.350 -4.496 1.00 0.00 C ATOM 957 C CYS A 62 0.797 9.903 -4.833 1.00 0.00 C ATOM 958 O CYS A 62 1.823 9.628 -5.438 1.00 0.00 O ATOM 959 CB CYS A 62 -0.764 11.813 -5.296 1.00 0.00 C ATOM 960 SG CYS A 62 -1.232 13.499 -4.809 1.00 0.00 S ATOM 0 H CYS A 62 1.457 12.862 -5.551 1.00 0.00 H new ATOM 0 HA CYS A 62 0.212 11.403 -3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.539 11.784 -6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.599 11.133 -5.128 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.266 13.879 -5.499 1.00 0.00 H new ATOM 966 N VAL A 63 -0.080 8.975 -4.464 1.00 0.00 N ATOM 967 CA VAL A 63 0.105 7.555 -4.669 1.00 0.00 C ATOM 968 C VAL A 63 -1.228 7.041 -5.210 1.00 0.00 C ATOM 969 O VAL A 63 -2.235 6.975 -4.496 1.00 0.00 O ATOM 970 CB VAL A 63 0.605 6.892 -3.368 1.00 0.00 C ATOM 971 CG1 VAL A 63 0.897 5.407 -3.624 1.00 0.00 C ATOM 972 CG2 VAL A 63 1.883 7.567 -2.819 1.00 0.00 C ATOM 0 H VAL A 63 -0.960 9.203 -4.002 1.00 0.00 H new ATOM 0 HA VAL A 63 0.882 7.308 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.183 7.007 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.250 4.942 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.014 4.909 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.663 5.314 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.195 7.065 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.679 7.497 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.677 8.616 -2.605 1.00 0.00 H new ATOM 982 N THR A 64 -1.277 6.771 -6.511 1.00 0.00 N ATOM 983 CA THR A 64 -2.490 6.282 -7.152 1.00 0.00 C ATOM 984 C THR A 64 -2.741 4.819 -6.741 1.00 0.00 C ATOM 985 O THR A 64 -1.806 4.098 -6.367 1.00 0.00 O ATOM 986 CB THR A 64 -2.379 6.502 -8.669 1.00 0.00 C ATOM 987 OG1 THR A 64 -1.231 5.876 -9.217 1.00 0.00 O ATOM 988 CG2 THR A 64 -2.325 7.992 -9.008 1.00 0.00 C ATOM 0 H THR A 64 -0.485 6.884 -7.144 1.00 0.00 H new ATOM 0 HA THR A 64 -3.367 6.839 -6.821 1.00 0.00 H new ATOM 0 HB THR A 64 -3.271 6.052 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.199 6.039 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.247 8.117 -10.088 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.232 8.479 -8.651 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.457 8.443 -8.527 1.00 0.00 H new ATOM 996 N GLY A 65 -3.990 4.345 -6.797 1.00 0.00 N ATOM 997 CA GLY A 65 -4.344 3.009 -6.336 1.00 0.00 C ATOM 998 C GLY A 65 -5.786 2.679 -6.688 1.00 0.00 C ATOM 999 O GLY A 65 -6.311 3.205 -7.676 1.00 0.00 O ATOM 0 H GLY A 65 -4.778 4.879 -7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.678 2.275 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.204 2.943 -5.257 1.00 0.00 H new ATOM 1003 N GLU A 66 -6.392 1.762 -5.932 1.00 0.00 N ATOM 1004 CA GLU A 66 -7.758 1.253 -6.065 1.00 0.00 C ATOM 1005 C GLU A 66 -8.309 0.995 -4.637 1.00 0.00 C ATOM 1006 O GLU A 66 -7.551 1.129 -3.671 1.00 0.00 O ATOM 1007 CB GLU A 66 -7.744 0.007 -6.987 1.00 0.00 C ATOM 1008 CG GLU A 66 -7.700 0.401 -8.484 1.00 0.00 C ATOM 1009 CD GLU A 66 -7.228 -0.664 -9.473 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -7.293 -1.879 -9.196 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -6.705 -0.261 -10.545 1.00 0.00 O ATOM 0 H GLU A 66 -5.904 1.323 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.431 1.966 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.879 -0.612 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.631 -0.597 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.700 0.717 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.049 1.269 -8.586 1.00 0.00 H new ATOM 1018 N ILE A 67 -9.600 0.691 -4.449 1.00 0.00 N ATOM 1019 CA ILE A 67 -10.243 0.617 -3.128 1.00 0.00 C ATOM 1020 C ILE A 67 -10.752 -0.800 -2.892 1.00 0.00 C ATOM 1021 O ILE A 67 -11.323 -1.418 -3.793 1.00 0.00 O ATOM 1022 CB ILE A 67 -11.392 1.647 -3.026 1.00 0.00 C ATOM 1023 CG1 ILE A 67 -10.818 3.078 -3.064 1.00 0.00 C ATOM 1024 CG2 ILE A 67 -12.241 1.413 -1.756 1.00 0.00 C ATOM 1025 CD1 ILE A 67 -11.890 4.173 -3.078 1.00 0.00 C ATOM 0 H ILE A 67 -10.236 0.487 -5.219 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.513 0.860 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 67 -12.054 1.518 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.173 3.224 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.191 3.185 -3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -13.041 2.152 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.673 0.413 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.609 1.509 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.410 5.151 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.521 4.054 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.503 4.094 -2.180 1.00 0.00 H new ATOM 1037 N TYR A 68 -10.587 -1.292 -1.657 1.00 0.00 N ATOM 1038 CA TYR A 68 -11.088 -2.593 -1.258 1.00 0.00 C ATOM 1039 C TYR A 68 -11.782 -2.494 0.095 1.00 0.00 C ATOM 1040 O TYR A 68 -11.216 -2.012 1.082 1.00 0.00 O ATOM 1041 CB TYR A 68 -9.976 -3.649 -1.291 1.00 0.00 C ATOM 1042 CG TYR A 68 -9.419 -3.854 -2.690 1.00 0.00 C ATOM 1043 CD1 TYR A 68 -8.467 -2.949 -3.194 1.00 0.00 C ATOM 1044 CD2 TYR A 68 -9.909 -4.881 -3.521 1.00 0.00 C ATOM 1045 CE1 TYR A 68 -8.013 -3.055 -4.518 1.00 0.00 C ATOM 1046 CE2 TYR A 68 -9.446 -5.001 -4.845 1.00 0.00 C ATOM 1047 CZ TYR A 68 -8.496 -4.085 -5.350 1.00 0.00 C ATOM 1048 OH TYR A 68 -8.047 -4.169 -6.630 1.00 0.00 O ATOM 0 H TYR A 68 -10.101 -0.791 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 68 -11.836 -2.926 -1.977 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.170 -3.347 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.365 -4.595 -0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.082 -2.166 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.642 -5.578 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.293 -2.346 -4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.818 -5.795 -5.476 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.471 -4.931 -7.076 1.00 0.00 H new ATOM 1058 N GLU A 69 -13.030 -2.952 0.120 1.00 0.00 N ATOM 1059 CA GLU A 69 -13.755 -3.314 1.324 1.00 0.00 C ATOM 1060 C GLU A 69 -13.147 -4.622 1.830 1.00 0.00 C ATOM 1061 O GLU A 69 -12.936 -5.543 1.036 1.00 0.00 O ATOM 1062 CB GLU A 69 -15.228 -3.489 0.942 1.00 0.00 C ATOM 1063 CG GLU A 69 -16.147 -3.819 2.116 1.00 0.00 C ATOM 1064 CD GLU A 69 -17.490 -4.405 1.668 1.00 0.00 C ATOM 1065 OE1 GLU A 69 -18.237 -3.802 0.853 1.00 0.00 O ATOM 1066 OE2 GLU A 69 -17.877 -5.441 2.259 1.00 0.00 O ATOM 0 H GLU A 69 -13.579 -3.084 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.688 -2.559 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.579 -2.573 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.307 -4.283 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.647 -4.529 2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.326 -2.915 2.698 1.00 0.00 H new ATOM 1073 N VAL A 70 -12.849 -4.712 3.124 1.00 0.00 N ATOM 1074 CA VAL A 70 -12.212 -5.874 3.729 1.00 0.00 C ATOM 1075 C VAL A 70 -12.914 -6.233 5.040 1.00 0.00 C ATOM 1076 O VAL A 70 -13.640 -5.419 5.624 1.00 0.00 O ATOM 1077 CB VAL A 70 -10.699 -5.613 3.911 1.00 0.00 C ATOM 1078 CG1 VAL A 70 -9.984 -5.385 2.570 1.00 0.00 C ATOM 1079 CG2 VAL A 70 -10.370 -4.447 4.854 1.00 0.00 C ATOM 0 H VAL A 70 -13.048 -3.966 3.791 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.309 -6.737 3.070 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.329 -6.527 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.924 -5.206 2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.102 -6.267 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.419 -4.520 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.289 -4.332 4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.808 -3.528 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.780 -4.652 5.843 1.00 0.00 H new ATOM 1089 N ASP A 71 -12.657 -7.441 5.545 1.00 0.00 N ATOM 1090 CA ASP A 71 -13.183 -7.903 6.827 1.00 0.00 C ATOM 1091 C ASP A 71 -12.019 -8.135 7.782 1.00 0.00 C ATOM 1092 O ASP A 71 -10.858 -7.892 7.426 1.00 0.00 O ATOM 1093 CB ASP A 71 -14.158 -9.090 6.664 1.00 0.00 C ATOM 1094 CG ASP A 71 -15.595 -8.684 6.271 1.00 0.00 C ATOM 1095 OD1 ASP A 71 -15.886 -7.481 6.080 1.00 0.00 O ATOM 1096 OD2 ASP A 71 -16.481 -9.565 6.245 1.00 0.00 O ATOM 0 H ASP A 71 -12.073 -8.130 5.071 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.810 -7.135 7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.764 -9.767 5.906 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.194 -9.647 7.600 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.321 -8.486 9.032 1.00 0.00 N ATOM 1102 CA GLU A 72 -11.329 -8.503 10.107 1.00 0.00 C ATOM 1103 C GLU A 72 -10.209 -9.475 9.770 1.00 0.00 C ATOM 1104 O GLU A 72 -9.049 -9.155 10.016 1.00 0.00 O ATOM 1105 CB GLU A 72 -11.978 -8.835 11.465 1.00 0.00 C ATOM 1106 CG GLU A 72 -12.284 -7.602 12.319 1.00 0.00 C ATOM 1107 CD GLU A 72 -13.737 -7.560 12.803 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -14.052 -8.216 13.828 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -14.543 -6.876 12.131 1.00 0.00 O ATOM 0 H GLU A 72 -13.256 -8.766 9.327 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.900 -7.505 10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.903 -9.384 11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.315 -9.497 12.022 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.618 -7.589 13.182 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.073 -6.703 11.740 1.00 0.00 H new ATOM 1116 N GLN A 73 -10.535 -10.612 9.148 1.00 0.00 N ATOM 1117 CA GLN A 73 -9.572 -11.634 8.773 1.00 0.00 C ATOM 1118 C GLN A 73 -8.475 -11.085 7.853 1.00 0.00 C ATOM 1119 O GLN A 73 -7.304 -11.406 8.044 1.00 0.00 O ATOM 1120 CB GLN A 73 -10.335 -12.811 8.143 1.00 0.00 C ATOM 1121 CG GLN A 73 -9.598 -14.150 8.204 1.00 0.00 C ATOM 1122 CD GLN A 73 -9.305 -14.530 9.653 1.00 0.00 C ATOM 1123 OE1 GLN A 73 -10.215 -14.825 10.433 1.00 0.00 O ATOM 1124 NE2 GLN A 73 -8.052 -14.433 10.067 1.00 0.00 N ATOM 0 H GLN A 73 -11.494 -10.845 8.890 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.048 -11.984 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.296 -12.916 8.647 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.546 -12.574 7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.201 -14.926 7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.666 -14.085 7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.314 -14.188 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.824 -14.603 11.046 1.00 0.00 H new ATOM 1133 N MET A 74 -8.832 -10.230 6.889 1.00 0.00 N ATOM 1134 CA MET A 74 -7.873 -9.620 5.968 1.00 0.00 C ATOM 1135 C MET A 74 -6.999 -8.640 6.731 1.00 0.00 C ATOM 1136 O MET A 74 -5.774 -8.710 6.638 1.00 0.00 O ATOM 1137 CB MET A 74 -8.683 -8.933 4.859 1.00 0.00 C ATOM 1138 CG MET A 74 -7.916 -8.056 3.861 1.00 0.00 C ATOM 1139 SD MET A 74 -6.708 -8.850 2.783 1.00 0.00 S ATOM 1140 CE MET A 74 -7.655 -10.267 2.169 1.00 0.00 C ATOM 0 H MET A 74 -9.797 -9.942 6.727 1.00 0.00 H new ATOM 0 HA MET A 74 -7.209 -10.359 5.520 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.205 -9.706 4.295 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.445 -8.315 5.333 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.648 -7.554 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.399 -7.281 4.427 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.426 -10.429 1.116 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.389 -11.157 2.739 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.721 -10.069 2.282 1.00 0.00 H new ATOM 1150 N LEU A 75 -7.621 -7.762 7.522 1.00 0.00 N ATOM 1151 CA LEU A 75 -6.871 -6.820 8.348 1.00 0.00 C ATOM 1152 C LEU A 75 -5.926 -7.539 9.327 1.00 0.00 C ATOM 1153 O LEU A 75 -4.865 -7.011 9.649 1.00 0.00 O ATOM 1154 CB LEU A 75 -7.842 -5.884 9.090 1.00 0.00 C ATOM 1155 CG LEU A 75 -7.410 -4.408 9.054 1.00 0.00 C ATOM 1156 CD1 LEU A 75 -7.693 -3.810 7.670 1.00 0.00 C ATOM 1157 CD2 LEU A 75 -8.176 -3.587 10.097 1.00 0.00 C ATOM 0 H LEU A 75 -8.635 -7.686 7.606 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.241 -6.221 7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.834 -5.976 8.648 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.925 -6.206 10.128 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.343 -4.370 9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.384 -2.765 7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.137 -4.364 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.760 -3.876 7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.852 -2.547 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.245 -3.644 9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.977 -3.985 11.092 1.00 0.00 H new ATOM 1169 N ARG A 76 -6.290 -8.727 9.829 1.00 0.00 N ATOM 1170 CA ARG A 76 -5.456 -9.528 10.734 1.00 0.00 C ATOM 1171 C ARG A 76 -4.305 -10.202 10.007 1.00 0.00 C ATOM 1172 O ARG A 76 -3.255 -10.405 10.613 1.00 0.00 O ATOM 1173 CB ARG A 76 -6.288 -10.615 11.431 1.00 0.00 C ATOM 1174 CG ARG A 76 -7.122 -10.038 12.578 1.00 0.00 C ATOM 1175 CD ARG A 76 -7.407 -11.118 13.610 1.00 0.00 C ATOM 1176 NE ARG A 76 -8.577 -10.785 14.429 1.00 0.00 N ATOM 1177 CZ ARG A 76 -8.950 -11.438 15.532 1.00 0.00 C ATOM 1178 NH1 ARG A 76 -8.156 -12.348 16.091 1.00 0.00 N ATOM 1179 NH2 ARG A 76 -10.132 -11.165 16.068 1.00 0.00 N ATOM 0 H ARG A 76 -7.186 -9.165 9.614 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.052 -8.833 11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.947 -11.091 10.705 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.625 -11.390 11.816 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.589 -9.209 13.045 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.059 -9.637 12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.574 -12.070 13.105 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.536 -11.247 14.253 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.149 -9.994 14.133 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.247 -12.555 15.677 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.456 -12.838 16.934 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.738 -10.467 15.637 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.435 -11.653 16.911 1.00 0.00 H new ATOM 1193 N PHE A 77 -4.517 -10.601 8.758 1.00 0.00 N ATOM 1194 CA PHE A 77 -3.527 -11.295 7.961 1.00 0.00 C ATOM 1195 C PHE A 77 -2.469 -10.314 7.468 1.00 0.00 C ATOM 1196 O PHE A 77 -1.282 -10.594 7.604 1.00 0.00 O ATOM 1197 CB PHE A 77 -4.241 -11.958 6.787 1.00 0.00 C ATOM 1198 CG PHE A 77 -3.290 -12.494 5.741 1.00 0.00 C ATOM 1199 CD1 PHE A 77 -2.668 -13.745 5.888 1.00 0.00 C ATOM 1200 CD2 PHE A 77 -2.983 -11.683 4.637 1.00 0.00 C ATOM 1201 CE1 PHE A 77 -1.764 -14.193 4.908 1.00 0.00 C ATOM 1202 CE2 PHE A 77 -2.052 -12.112 3.679 1.00 0.00 C ATOM 1203 CZ PHE A 77 -1.441 -13.371 3.812 1.00 0.00 C ATOM 0 H PHE A 77 -5.398 -10.446 8.268 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.022 -12.054 8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.859 -12.775 7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.913 -11.236 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.883 -14.360 6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.466 -10.724 4.524 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.316 -15.172 4.997 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.805 -11.476 2.841 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.726 -13.707 3.075 1.00 0.00 H new ATOM 1213 N LEU A 78 -2.884 -9.178 6.891 1.00 0.00 N ATOM 1214 CA LEU A 78 -1.955 -8.193 6.333 1.00 0.00 C ATOM 1215 C LEU A 78 -0.964 -7.762 7.402 1.00 0.00 C ATOM 1216 O LEU A 78 0.223 -7.689 7.126 1.00 0.00 O ATOM 1217 CB LEU A 78 -2.702 -6.971 5.773 1.00 0.00 C ATOM 1218 CG LEU A 78 -2.792 -6.911 4.238 1.00 0.00 C ATOM 1219 CD1 LEU A 78 -3.301 -8.206 3.607 1.00 0.00 C ATOM 1220 CD2 LEU A 78 -3.741 -5.779 3.834 1.00 0.00 C ATOM 0 H LEU A 78 -3.866 -8.920 6.800 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.418 -8.658 5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.712 -6.963 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.207 -6.067 6.129 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.778 -6.744 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.339 -8.092 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.628 -9.024 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.300 -8.426 3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.809 -5.732 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.730 -5.967 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.360 -4.832 4.215 1.00 0.00 H new ATOM 1232 N ASP A 79 -1.454 -7.558 8.627 1.00 0.00 N ATOM 1233 CA ASP A 79 -0.672 -7.254 9.826 1.00 0.00 C ATOM 1234 C ASP A 79 0.563 -8.166 9.932 1.00 0.00 C ATOM 1235 O ASP A 79 1.678 -7.680 10.089 1.00 0.00 O ATOM 1236 CB ASP A 79 -1.629 -7.419 11.017 1.00 0.00 C ATOM 1237 CG ASP A 79 -1.257 -6.709 12.313 1.00 0.00 C ATOM 1238 OD1 ASP A 79 -0.990 -5.485 12.284 1.00 0.00 O ATOM 1239 OD2 ASP A 79 -1.486 -7.340 13.371 1.00 0.00 O ATOM 0 H ASP A 79 -2.455 -7.603 8.818 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.276 -6.239 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.614 -7.067 10.710 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.723 -8.484 11.230 1.00 0.00 H new ATOM 1244 N ASP A 80 0.392 -9.479 9.754 1.00 0.00 N ATOM 1245 CA ASP A 80 1.484 -10.456 9.751 1.00 0.00 C ATOM 1246 C ASP A 80 2.349 -10.343 8.491 1.00 0.00 C ATOM 1247 O ASP A 80 3.576 -10.463 8.550 1.00 0.00 O ATOM 1248 CB ASP A 80 0.887 -11.870 9.833 1.00 0.00 C ATOM 1249 CG ASP A 80 1.937 -12.938 10.138 1.00 0.00 C ATOM 1250 OD1 ASP A 80 2.668 -13.413 9.236 1.00 0.00 O ATOM 1251 OD2 ASP A 80 1.927 -13.441 11.282 1.00 0.00 O ATOM 0 H ASP A 80 -0.525 -9.900 9.605 1.00 0.00 H new ATOM 0 HA ASP A 80 2.123 -10.255 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.119 -11.891 10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.396 -12.108 8.889 1.00 0.00 H new ATOM 1256 N PHE A 81 1.724 -10.121 7.330 1.00 0.00 N ATOM 1257 CA PHE A 81 2.357 -10.191 6.023 1.00 0.00 C ATOM 1258 C PHE A 81 3.409 -9.094 5.878 1.00 0.00 C ATOM 1259 O PHE A 81 4.450 -9.330 5.259 1.00 0.00 O ATOM 1260 CB PHE A 81 1.282 -10.101 4.931 1.00 0.00 C ATOM 1261 CG PHE A 81 1.800 -10.298 3.518 1.00 0.00 C ATOM 1262 CD1 PHE A 81 2.237 -11.568 3.089 1.00 0.00 C ATOM 1263 CD2 PHE A 81 1.849 -9.209 2.626 1.00 0.00 C ATOM 1264 CE1 PHE A 81 2.741 -11.738 1.787 1.00 0.00 C ATOM 1265 CE2 PHE A 81 2.341 -9.389 1.322 1.00 0.00 C ATOM 1266 CZ PHE A 81 2.803 -10.647 0.905 1.00 0.00 C ATOM 0 H PHE A 81 0.734 -9.881 7.280 1.00 0.00 H new ATOM 0 HA PHE A 81 2.873 -11.145 5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.516 -10.850 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.799 -9.126 4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.185 -12.412 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.508 -8.235 2.944 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.081 -12.711 1.464 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.364 -8.555 0.637 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.204 -10.775 -0.089 1.00 0.00 H new ATOM 1276 N GLU A 82 3.194 -7.929 6.489 1.00 0.00 N ATOM 1277 CA GLU A 82 4.150 -6.828 6.539 1.00 0.00 C ATOM 1278 C GLU A 82 4.894 -6.734 7.870 1.00 0.00 C ATOM 1279 O GLU A 82 5.469 -5.690 8.169 1.00 0.00 O ATOM 1280 CB GLU A 82 3.523 -5.515 6.047 1.00 0.00 C ATOM 1281 CG GLU A 82 2.125 -5.067 6.499 1.00 0.00 C ATOM 1282 CD GLU A 82 1.298 -4.616 5.284 1.00 0.00 C ATOM 1283 OE1 GLU A 82 1.691 -3.601 4.670 1.00 0.00 O ATOM 1284 OE2 GLU A 82 0.297 -5.262 4.892 1.00 0.00 O ATOM 0 H GLU A 82 2.323 -7.721 6.977 1.00 0.00 H new ATOM 0 HA GLU A 82 4.945 -7.051 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.213 -4.715 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.502 -5.564 4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.619 -5.886 7.010 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.210 -4.249 7.215 1.00 0.00 H new ATOM 1291 N ASP A 83 4.933 -7.819 8.651 1.00 0.00 N ATOM 1292 CA ASP A 83 5.624 -7.910 9.945 1.00 0.00 C ATOM 1293 C ASP A 83 5.198 -6.806 10.926 1.00 0.00 C ATOM 1294 O ASP A 83 5.891 -6.514 11.904 1.00 0.00 O ATOM 1295 CB ASP A 83 7.153 -7.924 9.758 1.00 0.00 C ATOM 1296 CG ASP A 83 7.851 -8.671 10.893 1.00 0.00 C ATOM 1297 OD1 ASP A 83 7.623 -9.893 11.023 1.00 0.00 O ATOM 1298 OD2 ASP A 83 8.642 -8.069 11.656 1.00 0.00 O ATOM 0 H ASP A 83 4.468 -8.689 8.392 1.00 0.00 H new ATOM 0 HA ASP A 83 5.323 -8.857 10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.400 -8.394 8.806 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.524 -6.900 9.713 1.00 0.00 H new ATOM 1303 N CYS A 84 4.065 -6.155 10.661 1.00 0.00 N ATOM 1304 CA CYS A 84 3.488 -5.128 11.502 1.00 0.00 C ATOM 1305 C CYS A 84 3.165 -5.789 12.846 1.00 0.00 C ATOM 1306 O CYS A 84 2.830 -6.974 12.888 1.00 0.00 O ATOM 1307 CB CYS A 84 2.273 -4.535 10.761 1.00 0.00 C ATOM 1308 SG CYS A 84 1.240 -3.417 11.753 1.00 0.00 S ATOM 0 H CYS A 84 3.512 -6.341 9.825 1.00 0.00 H new ATOM 0 HA CYS A 84 4.154 -4.289 11.707 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.630 -3.994 9.884 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.652 -5.354 10.399 1.00 0.00 H new ATOM 0 HG CYS A 84 0.168 -4.044 12.138 1.00 0.00 H new ATOM 1314 N PRO A 85 3.289 -5.087 13.980 1.00 0.00 N ATOM 1315 CA PRO A 85 3.700 -3.697 14.140 1.00 0.00 C ATOM 1316 C PRO A 85 5.216 -3.428 14.096 1.00 0.00 C ATOM 1317 O PRO A 85 5.611 -2.283 14.319 1.00 0.00 O ATOM 1318 CB PRO A 85 3.034 -3.277 15.445 1.00 0.00 C ATOM 1319 CG PRO A 85 3.130 -4.540 16.299 1.00 0.00 C ATOM 1320 CD PRO A 85 2.865 -5.630 15.266 1.00 0.00 C ATOM 0 HA PRO A 85 3.384 -3.098 13.286 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.549 -2.436 15.909 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.999 -2.972 15.290 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.110 -4.646 16.765 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.393 -4.549 17.102 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.419 -6.537 15.507 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.809 -5.898 15.246 1.00 0.00 H new ATOM 1328 N SER A 86 6.072 -4.445 13.970 1.00 0.00 N ATOM 1329 CA SER A 86 7.525 -4.304 13.963 1.00 0.00 C ATOM 1330 C SER A 86 8.033 -3.477 12.767 1.00 0.00 C ATOM 1331 O SER A 86 8.696 -2.453 12.963 1.00 0.00 O ATOM 1332 CB SER A 86 8.171 -5.697 13.950 1.00 0.00 C ATOM 1333 OG SER A 86 7.469 -6.646 14.739 1.00 0.00 O ATOM 0 H SER A 86 5.763 -5.412 13.868 1.00 0.00 H new ATOM 0 HA SER A 86 7.808 -3.764 14.866 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.224 -6.056 12.922 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.196 -5.619 14.313 1.00 0.00 H new ATOM 0 HG SER A 86 7.925 -7.512 14.691 1.00 0.00 H new ATOM 1339 N MET A 87 7.787 -3.941 11.532 1.00 0.00 N ATOM 1340 CA MET A 87 8.260 -3.263 10.324 1.00 0.00 C ATOM 1341 C MET A 87 7.274 -2.146 9.973 1.00 0.00 C ATOM 1342 O MET A 87 7.572 -0.967 10.185 1.00 0.00 O ATOM 1343 CB MET A 87 8.448 -4.230 9.143 1.00 0.00 C ATOM 1344 CG MET A 87 9.608 -5.221 9.278 1.00 0.00 C ATOM 1345 SD MET A 87 9.774 -6.485 7.968 1.00 0.00 S ATOM 1346 CE MET A 87 9.058 -5.683 6.501 1.00 0.00 C ATOM 0 H MET A 87 7.257 -4.793 11.347 1.00 0.00 H new ATOM 0 HA MET A 87 9.245 -2.841 10.524 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.525 -4.794 9.008 1.00 0.00 H new ATOM 0 HB3 MET A 87 8.598 -3.643 8.237 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.537 -4.652 9.320 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.506 -5.735 10.234 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.077 -6.377 5.661 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.028 -5.395 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.639 -4.795 6.251 1.00 0.00 H new ATOM 1356 N TYR A 88 6.109 -2.488 9.409 1.00 0.00 N ATOM 1357 CA TYR A 88 5.081 -1.499 9.120 1.00 0.00 C ATOM 1358 C TYR A 88 4.225 -1.283 10.366 1.00 0.00 C ATOM 1359 O TYR A 88 4.358 -1.993 11.357 1.00 0.00 O ATOM 1360 CB TYR A 88 4.266 -1.960 7.912 1.00 0.00 C ATOM 1361 CG TYR A 88 5.059 -1.851 6.627 1.00 0.00 C ATOM 1362 CD1 TYR A 88 5.956 -2.873 6.264 1.00 0.00 C ATOM 1363 CD2 TYR A 88 4.935 -0.709 5.813 1.00 0.00 C ATOM 1364 CE1 TYR A 88 6.725 -2.770 5.099 1.00 0.00 C ATOM 1365 CE2 TYR A 88 5.704 -0.597 4.644 1.00 0.00 C ATOM 1366 CZ TYR A 88 6.597 -1.631 4.285 1.00 0.00 C ATOM 1367 OH TYR A 88 7.310 -1.541 3.142 1.00 0.00 O ATOM 0 H TYR A 88 5.862 -3.442 9.147 1.00 0.00 H new ATOM 0 HA TYR A 88 5.525 -0.537 8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.951 -2.993 8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 88 3.360 -1.358 7.833 1.00 0.00 H new ATOM 0 HD1 TYR A 88 6.052 -3.747 6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.250 0.079 6.087 1.00 0.00 H new ATOM 0 HE1 TYR A 88 7.411 -3.559 4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.613 0.279 4.019 1.00 0.00 H new ATOM 0 HH TYR A 88 8.174 -1.116 3.328 1.00 0.00 H new ATOM 1377 N GLN A 89 3.373 -0.265 10.343 1.00 0.00 N ATOM 1378 CA GLN A 89 2.420 0.071 11.387 1.00 0.00 C ATOM 1379 C GLN A 89 1.186 0.646 10.683 1.00 0.00 C ATOM 1380 O GLN A 89 1.295 1.548 9.850 1.00 0.00 O ATOM 1381 CB GLN A 89 3.049 1.069 12.377 1.00 0.00 C ATOM 1382 CG GLN A 89 3.905 0.437 13.496 1.00 0.00 C ATOM 1383 CD GLN A 89 5.409 0.750 13.464 1.00 0.00 C ATOM 1384 OE1 GLN A 89 5.961 1.283 14.426 1.00 0.00 O ATOM 1385 NE2 GLN A 89 6.115 0.552 12.368 1.00 0.00 N ATOM 0 H GLN A 89 3.328 0.380 9.554 1.00 0.00 H new ATOM 0 HA GLN A 89 2.135 -0.801 11.976 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.671 1.768 11.817 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.251 1.651 12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.508 0.765 14.457 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.780 -0.645 13.452 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.683 0.112 11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.093 0.839 12.333 1.00 0.00 H new ATOM 1394 N ARG A 90 0.007 0.095 10.968 1.00 0.00 N ATOM 1395 CA ARG A 90 -1.269 0.531 10.396 1.00 0.00 C ATOM 1396 C ARG A 90 -1.616 1.927 10.897 1.00 0.00 C ATOM 1397 O ARG A 90 -1.624 2.156 12.112 1.00 0.00 O ATOM 1398 CB ARG A 90 -2.346 -0.514 10.738 1.00 0.00 C ATOM 1399 CG ARG A 90 -3.808 -0.148 10.390 1.00 0.00 C ATOM 1400 CD ARG A 90 -4.604 0.657 11.425 1.00 0.00 C ATOM 1401 NE ARG A 90 -4.439 0.138 12.796 1.00 0.00 N ATOM 1402 CZ ARG A 90 -5.226 0.374 13.849 1.00 0.00 C ATOM 1403 NH1 ARG A 90 -6.377 1.026 13.714 1.00 0.00 N ATOM 1404 NH2 ARG A 90 -4.857 -0.066 15.049 1.00 0.00 N ATOM 0 H ARG A 90 -0.091 -0.685 11.618 1.00 0.00 H new ATOM 0 HA ARG A 90 -1.204 0.600 9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.096 -1.441 10.222 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.292 -0.720 11.807 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.800 0.418 9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.349 -1.074 10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.284 1.699 11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.661 0.640 11.159 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.635 -0.468 12.958 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.672 1.355 12.795 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.965 1.197 14.530 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.981 -0.578 15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.450 0.108 15.861 1.00 0.00 H new ATOM 1418 N THR A 91 -1.988 2.819 9.983 1.00 0.00 N ATOM 1419 CA THR A 91 -2.470 4.177 10.235 1.00 0.00 C ATOM 1420 C THR A 91 -3.790 4.354 9.467 1.00 0.00 C ATOM 1421 O THR A 91 -4.233 3.433 8.775 1.00 0.00 O ATOM 1422 CB THR A 91 -1.375 5.177 9.812 1.00 0.00 C ATOM 1423 OG1 THR A 91 -0.165 4.812 10.443 1.00 0.00 O ATOM 1424 CG2 THR A 91 -1.597 6.639 10.214 1.00 0.00 C ATOM 0 H THR A 91 -1.960 2.602 8.987 1.00 0.00 H new ATOM 0 HA THR A 91 -2.672 4.361 11.290 1.00 0.00 H new ATOM 0 HB THR A 91 -1.377 5.125 8.723 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.553 4.775 9.777 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.762 7.244 9.861 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.522 7.003 9.768 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.665 6.712 11.299 1.00 0.00 H new ATOM 1432 N ALA A 92 -4.441 5.512 9.604 1.00 0.00 N ATOM 1433 CA ALA A 92 -5.544 5.964 8.766 1.00 0.00 C ATOM 1434 C ALA A 92 -5.144 7.229 8.012 1.00 0.00 C ATOM 1435 O ALA A 92 -4.399 8.060 8.535 1.00 0.00 O ATOM 1436 CB ALA A 92 -6.764 6.248 9.644 1.00 0.00 C ATOM 0 H ALA A 92 -4.201 6.184 10.333 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.789 5.186 8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.591 6.586 9.020 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.054 5.338 10.169 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -6.517 7.022 10.370 1.00 0.00 H new ATOM 1442 N LEU A 93 -5.655 7.373 6.795 1.00 0.00 N ATOM 1443 CA LEU A 93 -5.490 8.530 5.910 1.00 0.00 C ATOM 1444 C LEU A 93 -6.778 8.836 5.124 1.00 0.00 C ATOM 1445 O LEU A 93 -7.773 8.116 5.257 1.00 0.00 O ATOM 1446 CB LEU A 93 -4.250 8.314 5.014 1.00 0.00 C ATOM 1447 CG LEU A 93 -4.334 7.359 3.798 1.00 0.00 C ATOM 1448 CD1 LEU A 93 -5.307 6.179 3.915 1.00 0.00 C ATOM 1449 CD2 LEU A 93 -4.600 8.130 2.513 1.00 0.00 C ATOM 0 H LEU A 93 -6.230 6.645 6.371 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.310 9.425 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.946 9.291 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.445 7.954 5.655 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.347 6.896 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.273 5.587 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.022 5.555 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.319 6.555 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.654 7.434 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.544 8.667 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.792 8.842 2.342 1.00 0.00 H new ATOM 1461 N GLN A 94 -6.747 9.892 4.302 1.00 0.00 N ATOM 1462 CA GLN A 94 -7.859 10.379 3.490 1.00 0.00 C ATOM 1463 C GLN A 94 -7.599 10.112 1.995 1.00 0.00 C ATOM 1464 O GLN A 94 -6.656 10.671 1.422 1.00 0.00 O ATOM 1465 CB GLN A 94 -8.012 11.884 3.776 1.00 0.00 C ATOM 1466 CG GLN A 94 -9.297 12.507 3.221 1.00 0.00 C ATOM 1467 CD GLN A 94 -10.503 11.996 3.991 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -10.806 12.449 5.095 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -11.159 10.977 3.476 1.00 0.00 N ATOM 0 H GLN A 94 -5.904 10.454 4.182 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.781 9.856 3.744 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.983 12.041 4.854 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.156 12.410 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.244 13.593 3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.401 12.263 2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -10.897 10.612 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -11.929 10.553 3.993 1.00 0.00 H new ATOM 1478 N VAL A 95 -8.423 9.275 1.355 1.00 0.00 N ATOM 1479 CA VAL A 95 -8.281 8.879 -0.056 1.00 0.00 C ATOM 1480 C VAL A 95 -9.409 9.541 -0.864 1.00 0.00 C ATOM 1481 O VAL A 95 -10.506 9.725 -0.337 1.00 0.00 O ATOM 1482 CB VAL A 95 -8.281 7.330 -0.118 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -8.338 6.687 -1.508 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -7.010 6.778 0.549 1.00 0.00 C ATOM 0 H VAL A 95 -9.226 8.843 1.811 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.344 9.217 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.209 7.070 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.332 5.602 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.250 6.999 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.472 7.002 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.018 5.689 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.131 7.158 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.979 7.095 1.591 1.00 0.00 H new ATOM 1494 N GLN A 96 -9.152 9.927 -2.122 1.00 0.00 N ATOM 1495 CA GLN A 96 -10.174 10.366 -3.066 1.00 0.00 C ATOM 1496 C GLN A 96 -10.711 9.091 -3.705 1.00 0.00 C ATOM 1497 O GLN A 96 -9.960 8.170 -4.011 1.00 0.00 O ATOM 1498 CB GLN A 96 -9.643 11.348 -4.151 1.00 0.00 C ATOM 1499 CG GLN A 96 -10.643 11.385 -5.322 1.00 0.00 C ATOM 1500 CD GLN A 96 -10.487 12.431 -6.417 1.00 0.00 C ATOM 1501 OE1 GLN A 96 -9.418 12.696 -6.955 1.00 0.00 O ATOM 1502 NE2 GLN A 96 -11.602 12.964 -6.878 1.00 0.00 N ATOM 0 H GLN A 96 -8.210 9.941 -2.513 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.944 10.932 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.520 12.345 -3.729 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.662 11.027 -4.503 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.619 10.406 -5.801 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.639 11.507 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.494 12.746 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -11.573 13.594 -7.679 1.00 0.00 H new ATOM 1511 N VAL A 97 -12.009 9.049 -3.966 1.00 0.00 N ATOM 1512 CA VAL A 97 -12.677 7.989 -4.704 1.00 0.00 C ATOM 1513 C VAL A 97 -12.677 8.342 -6.196 1.00 0.00 C ATOM 1514 O VAL A 97 -13.448 9.180 -6.669 1.00 0.00 O ATOM 1515 CB VAL A 97 -14.082 7.791 -4.113 1.00 0.00 C ATOM 1516 CG1 VAL A 97 -14.774 9.070 -3.876 1.00 0.00 C ATOM 1517 CG2 VAL A 97 -14.880 6.712 -4.824 1.00 0.00 C ATOM 0 H VAL A 97 -12.650 9.780 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 97 -12.155 7.036 -4.611 1.00 0.00 H new ATOM 0 HB VAL A 97 -13.965 7.376 -3.112 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -15.762 8.877 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -14.195 9.672 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -14.877 9.608 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -15.862 6.620 -4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.998 6.979 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -14.353 5.761 -4.749 1.00 0.00 H new ATOM 1527 N LEU A 98 -11.800 7.710 -6.973 1.00 0.00 N ATOM 1528 CA LEU A 98 -11.832 7.851 -8.421 1.00 0.00 C ATOM 1529 C LEU A 98 -13.014 7.105 -9.030 1.00 0.00 C ATOM 1530 O LEU A 98 -13.381 7.415 -10.159 1.00 0.00 O ATOM 1531 CB LEU A 98 -10.528 7.351 -9.067 1.00 0.00 C ATOM 1532 CG LEU A 98 -9.718 8.517 -9.658 1.00 0.00 C ATOM 1533 CD1 LEU A 98 -8.811 9.107 -8.579 1.00 0.00 C ATOM 1534 CD2 LEU A 98 -8.867 8.030 -10.826 1.00 0.00 C ATOM 0 H LEU A 98 -11.063 7.098 -6.623 1.00 0.00 H new ATOM 0 HA LEU A 98 -11.942 8.916 -8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.928 6.828 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.760 6.631 -9.852 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.408 9.281 -10.016 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.237 9.933 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.420 9.471 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.129 8.338 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.299 8.865 -11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.179 7.259 -10.479 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.514 7.617 -11.600 1.00 0.00 H new ATOM 1546 N GLU A 99 -13.589 6.105 -8.359 1.00 0.00 N ATOM 1547 CA GLU A 99 -14.755 5.387 -8.857 1.00 0.00 C ATOM 1548 C GLU A 99 -15.427 4.693 -7.687 1.00 0.00 C ATOM 1549 O GLU A 99 -14.726 4.311 -6.749 1.00 0.00 O ATOM 1550 CB GLU A 99 -14.288 4.322 -9.855 1.00 0.00 C ATOM 1551 CG GLU A 99 -15.290 4.014 -10.968 1.00 0.00 C ATOM 1552 CD GLU A 99 -14.625 4.243 -12.325 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -14.406 5.418 -12.713 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -14.146 3.256 -12.924 1.00 0.00 O ATOM 0 H GLU A 99 -13.256 5.773 -7.454 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.447 6.077 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -13.352 4.651 -10.307 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -14.074 3.402 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.634 2.983 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -16.169 4.651 -10.869 1.00 0.00 H new ATOM 1561 N TRP A 100 -16.732 4.450 -7.776 1.00 0.00 N ATOM 1562 CA TRP A 100 -17.491 3.779 -6.735 1.00 0.00 C ATOM 1563 C TRP A 100 -18.439 2.764 -7.363 1.00 0.00 C ATOM 1564 O TRP A 100 -19.285 3.127 -8.183 1.00 0.00 O ATOM 1565 CB TRP A 100 -18.238 4.801 -5.871 1.00 0.00 C ATOM 1566 CG TRP A 100 -18.711 4.217 -4.576 1.00 0.00 C ATOM 1567 CD1 TRP A 100 -19.965 3.808 -4.277 1.00 0.00 C ATOM 1568 CD2 TRP A 100 -17.889 3.846 -3.434 1.00 0.00 C ATOM 1569 NE1 TRP A 100 -19.970 3.210 -3.032 1.00 0.00 N ATOM 1570 CE2 TRP A 100 -18.713 3.190 -2.475 1.00 0.00 C ATOM 1571 CE3 TRP A 100 -16.503 3.875 -3.174 1.00 0.00 C ATOM 1572 CZ2 TRP A 100 -18.194 2.632 -1.300 1.00 0.00 C ATOM 1573 CZ3 TRP A 100 -15.980 3.371 -1.970 1.00 0.00 C ATOM 1574 CH2 TRP A 100 -16.832 2.785 -1.018 1.00 0.00 C ATOM 0 H TRP A 100 -17.295 4.718 -8.584 1.00 0.00 H new ATOM 0 HA TRP A 100 -16.808 3.240 -6.078 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -17.583 5.648 -5.667 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -19.093 5.186 -6.426 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -20.829 3.930 -4.913 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -20.803 2.830 -2.582 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -15.833 4.291 -3.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -18.836 2.091 -0.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -14.919 3.434 -1.776 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -16.436 2.453 -0.070 1.00 0.00 H new ATOM 1585 N GLU A 101 -18.286 1.497 -6.987 1.00 0.00 N ATOM 1586 CA GLU A 101 -19.046 0.371 -7.503 1.00 0.00 C ATOM 1587 C GLU A 101 -20.031 -0.153 -6.454 1.00 0.00 C ATOM 1588 O GLU A 101 -19.678 -0.949 -5.574 1.00 0.00 O ATOM 1589 CB GLU A 101 -18.094 -0.740 -7.990 1.00 0.00 C ATOM 1590 CG GLU A 101 -17.194 -0.344 -9.169 1.00 0.00 C ATOM 1591 CD GLU A 101 -17.998 0.276 -10.321 1.00 0.00 C ATOM 1592 OE1 GLU A 101 -18.969 -0.366 -10.780 1.00 0.00 O ATOM 1593 OE2 GLU A 101 -17.714 1.427 -10.715 1.00 0.00 O ATOM 0 H GLU A 101 -17.600 1.220 -6.285 1.00 0.00 H new ATOM 0 HA GLU A 101 -19.632 0.710 -8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.463 -1.049 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -18.688 -1.607 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.441 0.367 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.661 -1.224 -9.530 1.00 0.00 H new ATOM 1600 N GLY A 102 -21.294 0.251 -6.587 1.00 0.00 N ATOM 1601 CA GLY A 102 -22.400 -0.225 -5.771 1.00 0.00 C ATOM 1602 C GLY A 102 -22.841 0.837 -4.784 1.00 0.00 C ATOM 1603 O GLY A 102 -22.410 1.989 -4.844 1.00 0.00 O ATOM 0 H GLY A 102 -21.579 0.937 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -23.237 -0.501 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -22.100 -1.124 -5.233 1.00 0.00 H new ATOM 1607 N ASP A 103 -23.753 0.461 -3.896 1.00 0.00 N ATOM 1608 CA ASP A 103 -24.273 1.348 -2.867 1.00 0.00 C ATOM 1609 C ASP A 103 -23.177 1.704 -1.846 1.00 0.00 C ATOM 1610 O ASP A 103 -22.087 1.125 -1.854 1.00 0.00 O ATOM 1611 CB ASP A 103 -25.509 0.699 -2.235 1.00 0.00 C ATOM 1612 CG ASP A 103 -26.326 1.670 -1.378 1.00 0.00 C ATOM 1613 OD1 ASP A 103 -26.143 2.901 -1.496 1.00 0.00 O ATOM 1614 OD2 ASP A 103 -27.175 1.177 -0.600 1.00 0.00 O ATOM 0 H ASP A 103 -24.155 -0.476 -3.871 1.00 0.00 H new ATOM 0 HA ASP A 103 -24.584 2.297 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -26.145 0.297 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -25.195 -0.144 -1.619 1.00 0.00 H new ATOM 1619 N GLY A 104 -23.450 2.648 -0.949 1.00 0.00 N ATOM 1620 CA GLY A 104 -22.586 3.030 0.149 1.00 0.00 C ATOM 1621 C GLY A 104 -21.614 4.134 -0.242 1.00 0.00 C ATOM 1622 O GLY A 104 -20.432 3.988 0.023 1.00 0.00 O ATOM 0 H GLY A 104 -24.316 3.186 -0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -23.195 3.365 0.989 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -22.026 2.159 0.489 1.00 0.00 H new ATOM 1626 N ASP A 105 -22.112 5.284 -0.706 1.00 0.00 N ATOM 1627 CA ASP A 105 -21.368 6.369 -1.364 1.00 0.00 C ATOM 1628 C ASP A 105 -21.107 7.496 -0.347 1.00 0.00 C ATOM 1629 O ASP A 105 -22.018 8.287 -0.066 1.00 0.00 O ATOM 1630 CB ASP A 105 -22.104 6.965 -2.581 1.00 0.00 C ATOM 1631 CG ASP A 105 -21.471 8.295 -3.036 1.00 0.00 C ATOM 1632 OD1 ASP A 105 -20.237 8.458 -2.923 1.00 0.00 O ATOM 1633 OD2 ASP A 105 -22.212 9.227 -3.432 1.00 0.00 O ATOM 0 H ASP A 105 -23.106 5.498 -0.629 1.00 0.00 H new ATOM 0 HA ASP A 105 -20.437 5.934 -1.728 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.082 6.251 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -23.152 7.128 -2.328 1.00 0.00 H new ATOM 1638 N PRO A 106 -19.981 7.456 0.395 1.00 0.00 N ATOM 1639 CA PRO A 106 -19.647 8.455 1.409 1.00 0.00 C ATOM 1640 C PRO A 106 -19.575 9.890 0.857 1.00 0.00 C ATOM 1641 O PRO A 106 -19.807 10.834 1.610 1.00 0.00 O ATOM 1642 CB PRO A 106 -18.269 8.036 1.947 1.00 0.00 C ATOM 1643 CG PRO A 106 -17.618 7.363 0.743 1.00 0.00 C ATOM 1644 CD PRO A 106 -18.794 6.668 0.074 1.00 0.00 C ATOM 0 HA PRO A 106 -20.424 8.481 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -17.692 8.895 2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -18.357 7.353 2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.145 8.088 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.846 6.655 1.043 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -18.647 6.610 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -18.898 5.646 0.437 1.00 0.00 H new ATOM 1652 N GLY A 107 -19.263 10.077 -0.426 1.00 0.00 N ATOM 1653 CA GLY A 107 -18.789 11.333 -0.995 1.00 0.00 C ATOM 1654 C GLY A 107 -17.478 11.068 -1.736 1.00 0.00 C ATOM 1655 O GLY A 107 -17.041 9.918 -1.830 1.00 0.00 O ATOM 0 H GLY A 107 -19.337 9.332 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -19.533 11.744 -1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.636 12.071 -0.208 1.00 0.00 H new ATOM 1659 N ASP A 108 -16.842 12.110 -2.271 1.00 0.00 N ATOM 1660 CA ASP A 108 -15.649 11.996 -3.121 1.00 0.00 C ATOM 1661 C ASP A 108 -14.342 11.824 -2.359 1.00 0.00 C ATOM 1662 O ASP A 108 -13.283 11.684 -2.975 1.00 0.00 O ATOM 1663 CB ASP A 108 -15.516 13.252 -3.994 1.00 0.00 C ATOM 1664 CG ASP A 108 -14.400 13.235 -5.055 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -14.435 12.436 -6.017 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -13.480 14.081 -4.934 1.00 0.00 O ATOM 0 H ASP A 108 -17.143 13.074 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 108 -15.803 11.092 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -16.467 13.418 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -15.351 14.107 -3.339 1.00 0.00 H new ATOM 1671 N SER A 109 -14.395 11.693 -1.045 1.00 0.00 N ATOM 1672 CA SER A 109 -13.310 11.032 -0.370 1.00 0.00 C ATOM 1673 C SER A 109 -13.837 10.082 0.700 1.00 0.00 C ATOM 1674 O SER A 109 -14.939 10.275 1.224 1.00 0.00 O ATOM 1675 CB SER A 109 -12.317 12.062 0.169 1.00 0.00 C ATOM 1676 OG SER A 109 -12.916 13.177 0.796 1.00 0.00 O ATOM 0 H SER A 109 -15.152 12.025 -0.448 1.00 0.00 H new ATOM 0 HA SER A 109 -12.763 10.412 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 109 -11.655 11.572 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.695 12.414 -0.654 1.00 0.00 H new ATOM 0 HG SER A 109 -12.218 13.787 1.114 1.00 0.00 H new ATOM 1682 N VAL A 110 -13.032 9.080 1.048 1.00 0.00 N ATOM 1683 CA VAL A 110 -13.295 8.156 2.152 1.00 0.00 C ATOM 1684 C VAL A 110 -12.064 8.017 3.059 1.00 0.00 C ATOM 1685 O VAL A 110 -10.920 8.215 2.632 1.00 0.00 O ATOM 1686 CB VAL A 110 -13.799 6.822 1.563 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -12.667 5.961 0.989 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -14.607 5.982 2.555 1.00 0.00 C ATOM 0 H VAL A 110 -12.159 8.883 0.560 1.00 0.00 H new ATOM 0 HA VAL A 110 -14.078 8.543 2.804 1.00 0.00 H new ATOM 0 HB VAL A 110 -14.462 7.125 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -13.081 5.035 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -12.163 6.507 0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.952 5.727 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -14.929 5.059 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -13.987 5.743 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -15.482 6.545 2.881 1.00 0.00 H new ATOM 1698 N GLN A 111 -12.310 7.699 4.329 1.00 0.00 N ATOM 1699 CA GLN A 111 -11.311 7.325 5.314 1.00 0.00 C ATOM 1700 C GLN A 111 -11.072 5.822 5.204 1.00 0.00 C ATOM 1701 O GLN A 111 -12.010 5.017 5.259 1.00 0.00 O ATOM 1702 CB GLN A 111 -11.791 7.724 6.721 1.00 0.00 C ATOM 1703 CG GLN A 111 -10.708 7.582 7.809 1.00 0.00 C ATOM 1704 CD GLN A 111 -10.695 6.226 8.513 1.00 0.00 C ATOM 1705 OE1 GLN A 111 -11.537 5.945 9.360 1.00 0.00 O ATOM 1706 NE2 GLN A 111 -9.739 5.355 8.225 1.00 0.00 N ATOM 0 H GLN A 111 -13.256 7.697 4.711 1.00 0.00 H new ATOM 0 HA GLN A 111 -10.371 7.847 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.137 8.757 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -12.648 7.107 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.731 7.752 7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -10.855 8.363 8.555 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -9.036 5.583 7.522 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -9.706 4.456 8.707 1.00 0.00 H new ATOM 1715 N CYS A 112 -9.803 5.451 5.079 1.00 0.00 N ATOM 1716 CA CYS A 112 -9.288 4.090 4.992 1.00 0.00 C ATOM 1717 C CYS A 112 -8.044 3.934 5.848 1.00 0.00 C ATOM 1718 O CYS A 112 -7.490 4.922 6.336 1.00 0.00 O ATOM 1719 CB CYS A 112 -9.053 3.675 3.525 1.00 0.00 C ATOM 1720 SG CYS A 112 -8.844 5.093 2.448 1.00 0.00 S ATOM 0 H CYS A 112 -9.054 6.142 5.033 1.00 0.00 H new ATOM 0 HA CYS A 112 -10.039 3.408 5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -8.168 3.041 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -9.896 3.078 3.178 1.00 0.00 H new ATOM 0 HG CYS A 112 -9.070 4.740 1.217 1.00 0.00 H new ATOM 1726 N PHE A 113 -7.625 2.685 6.050 1.00 0.00 N ATOM 1727 CA PHE A 113 -6.377 2.358 6.727 1.00 0.00 C ATOM 1728 C PHE A 113 -5.341 1.974 5.682 1.00 0.00 C ATOM 1729 O PHE A 113 -5.676 1.307 4.694 1.00 0.00 O ATOM 1730 CB PHE A 113 -6.587 1.255 7.774 1.00 0.00 C ATOM 1731 CG PHE A 113 -7.702 1.573 8.749 1.00 0.00 C ATOM 1732 CD1 PHE A 113 -7.483 2.495 9.790 1.00 0.00 C ATOM 1733 CD2 PHE A 113 -8.982 1.020 8.560 1.00 0.00 C ATOM 1734 CE1 PHE A 113 -8.546 2.880 10.625 1.00 0.00 C ATOM 1735 CE2 PHE A 113 -10.044 1.415 9.387 1.00 0.00 C ATOM 1736 CZ PHE A 113 -9.830 2.349 10.416 1.00 0.00 C ATOM 0 H PHE A 113 -8.150 1.866 5.744 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.013 3.228 7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.812 0.317 7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.660 1.104 8.327 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -6.497 2.907 9.947 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.147 0.292 7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -8.376 3.583 11.427 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.029 1.000 9.233 1.00 0.00 H new ATOM 0 HZ PHE A 113 -10.652 2.658 11.045 1.00 0.00 H new ATOM 1746 N VAL A 114 -4.096 2.377 5.910 1.00 0.00 N ATOM 1747 CA VAL A 114 -2.941 2.073 5.081 1.00 0.00 C ATOM 1748 C VAL A 114 -1.796 1.745 6.037 1.00 0.00 C ATOM 1749 O VAL A 114 -1.685 2.318 7.127 1.00 0.00 O ATOM 1750 CB VAL A 114 -2.641 3.268 4.147 1.00 0.00 C ATOM 1751 CG1 VAL A 114 -1.268 3.193 3.470 1.00 0.00 C ATOM 1752 CG2 VAL A 114 -3.680 3.377 3.024 1.00 0.00 C ATOM 0 H VAL A 114 -3.856 2.952 6.717 1.00 0.00 H new ATOM 0 HA VAL A 114 -3.107 1.220 4.423 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.669 4.136 4.806 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -1.129 4.065 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -0.488 3.173 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -1.209 2.287 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -3.439 4.227 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -3.670 2.463 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -4.670 3.518 3.457 1.00 0.00 H new ATOM 1762 N TYR A 115 -0.949 0.802 5.634 1.00 0.00 N ATOM 1763 CA TYR A 115 0.264 0.490 6.366 1.00 0.00 C ATOM 1764 C TYR A 115 1.293 1.556 6.041 1.00 0.00 C ATOM 1765 O TYR A 115 1.594 1.815 4.872 1.00 0.00 O ATOM 1766 CB TYR A 115 0.760 -0.905 6.004 1.00 0.00 C ATOM 1767 CG TYR A 115 -0.078 -1.976 6.661 1.00 0.00 C ATOM 1768 CD1 TYR A 115 0.177 -2.349 7.995 1.00 0.00 C ATOM 1769 CD2 TYR A 115 -1.155 -2.553 5.963 1.00 0.00 C ATOM 1770 CE1 TYR A 115 -0.637 -3.304 8.625 1.00 0.00 C ATOM 1771 CE2 TYR A 115 -1.989 -3.481 6.606 1.00 0.00 C ATOM 1772 CZ TYR A 115 -1.722 -3.872 7.934 1.00 0.00 C ATOM 1773 OH TYR A 115 -2.552 -4.736 8.579 1.00 0.00 O ATOM 0 H TYR A 115 -1.087 0.238 4.795 1.00 0.00 H new ATOM 0 HA TYR A 115 0.076 0.487 7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.733 -1.033 4.922 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.800 -1.014 6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.999 -1.900 8.533 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.340 -2.282 4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.429 -3.603 9.642 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.837 -3.896 6.082 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.252 -5.039 7.963 1.00 0.00 H new ATOM 1783 N THR A 116 1.828 2.172 7.083 1.00 0.00 N ATOM 1784 CA THR A 116 2.866 3.176 7.009 1.00 0.00 C ATOM 1785 C THR A 116 4.068 2.666 7.799 1.00 0.00 C ATOM 1786 O THR A 116 4.086 1.538 8.300 1.00 0.00 O ATOM 1787 CB THR A 116 2.334 4.511 7.559 1.00 0.00 C ATOM 1788 OG1 THR A 116 2.014 4.362 8.923 1.00 0.00 O ATOM 1789 CG2 THR A 116 1.089 5.018 6.830 1.00 0.00 C ATOM 0 H THR A 116 1.536 1.975 8.040 1.00 0.00 H new ATOM 0 HA THR A 116 3.173 3.355 5.979 1.00 0.00 H new ATOM 0 HB THR A 116 3.127 5.243 7.406 1.00 0.00 H new ATOM 0 HG1 THR A 116 1.941 3.409 9.140 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.769 5.963 7.270 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.321 5.169 5.776 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.288 4.284 6.924 1.00 0.00 H new ATOM 1797 N THR A 117 5.073 3.510 7.945 1.00 0.00 N ATOM 1798 CA THR A 117 6.122 3.384 8.926 1.00 0.00 C ATOM 1799 C THR A 117 6.470 4.826 9.313 1.00 0.00 C ATOM 1800 O THR A 117 6.476 5.721 8.460 1.00 0.00 O ATOM 1801 CB THR A 117 7.261 2.540 8.318 1.00 0.00 C ATOM 1802 OG1 THR A 117 8.378 2.497 9.177 1.00 0.00 O ATOM 1803 CG2 THR A 117 7.704 3.032 6.932 1.00 0.00 C ATOM 0 H THR A 117 5.180 4.335 7.355 1.00 0.00 H new ATOM 0 HA THR A 117 5.858 2.850 9.839 1.00 0.00 H new ATOM 0 HB THR A 117 6.851 1.537 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 117 9.084 1.954 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 117 8.507 2.396 6.560 1.00 0.00 H new ATOM 0 HG22 THR A 117 6.860 2.990 6.244 1.00 0.00 H new ATOM 0 HG23 THR A 117 8.060 4.060 7.007 1.00 0.00 H new ATOM 1811 N ALA A 118 6.701 5.081 10.600 1.00 0.00 N ATOM 1812 CA ALA A 118 7.145 6.379 11.095 1.00 0.00 C ATOM 1813 C ALA A 118 8.631 6.336 11.475 1.00 0.00 C ATOM 1814 O ALA A 118 9.219 7.377 11.763 1.00 0.00 O ATOM 1815 CB ALA A 118 6.290 6.774 12.303 1.00 0.00 C ATOM 0 H ALA A 118 6.583 4.383 11.335 1.00 0.00 H new ATOM 0 HA ALA A 118 7.026 7.124 10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 118 6.617 7.744 12.678 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.244 6.834 12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.401 6.025 13.087 1.00 0.00 H new ATOM 1821 N THR A 119 9.255 5.155 11.477 1.00 0.00 N ATOM 1822 CA THR A 119 10.562 4.898 12.078 1.00 0.00 C ATOM 1823 C THR A 119 11.737 5.203 11.131 1.00 0.00 C ATOM 1824 O THR A 119 12.863 4.763 11.379 1.00 0.00 O ATOM 1825 CB THR A 119 10.552 3.439 12.584 1.00 0.00 C ATOM 1826 OG1 THR A 119 10.212 2.533 11.552 1.00 0.00 O ATOM 1827 CG2 THR A 119 9.501 3.247 13.684 1.00 0.00 C ATOM 0 H THR A 119 8.849 4.325 11.045 1.00 0.00 H new ATOM 0 HA THR A 119 10.726 5.580 12.912 1.00 0.00 H new ATOM 0 HB THR A 119 11.558 3.243 12.956 1.00 0.00 H new ATOM 0 HG1 THR A 119 10.216 1.619 11.905 1.00 0.00 H new ATOM 0 HG21 THR A 119 9.514 2.211 14.023 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.727 3.906 14.522 1.00 0.00 H new ATOM 0 HG23 THR A 119 8.514 3.487 13.290 1.00 0.00 H new ATOM 1835 N TYR A 120 11.479 5.922 10.036 1.00 0.00 N ATOM 1836 CA TYR A 120 12.339 6.003 8.866 1.00 0.00 C ATOM 1837 C TYR A 120 13.747 6.494 9.184 1.00 0.00 C ATOM 1838 O TYR A 120 13.945 7.471 9.913 1.00 0.00 O ATOM 1839 CB TYR A 120 11.647 6.822 7.766 1.00 0.00 C ATOM 1840 CG TYR A 120 11.181 8.221 8.132 1.00 0.00 C ATOM 1841 CD1 TYR A 120 9.897 8.420 8.683 1.00 0.00 C ATOM 1842 CD2 TYR A 120 12.027 9.326 7.921 1.00 0.00 C ATOM 1843 CE1 TYR A 120 9.481 9.706 9.083 1.00 0.00 C ATOM 1844 CE2 TYR A 120 11.611 10.606 8.327 1.00 0.00 C ATOM 1845 CZ TYR A 120 10.351 10.806 8.923 1.00 0.00 C ATOM 1846 OH TYR A 120 10.002 12.060 9.332 1.00 0.00 O ATOM 0 H TYR A 120 10.632 6.483 9.942 1.00 0.00 H new ATOM 0 HA TYR A 120 12.489 4.991 8.490 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.334 6.904 6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.782 6.258 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.228 7.580 8.799 1.00 0.00 H new ATOM 0 HD2 TYR A 120 12.990 9.191 7.450 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.500 9.849 9.511 1.00 0.00 H new ATOM 0 HE2 TYR A 120 12.269 11.450 8.179 1.00 0.00 H new ATOM 0 HH TYR A 120 10.733 12.683 9.138 1.00 0.00 H new ATOM 1856 N ALA A 121 14.730 5.799 8.609 1.00 0.00 N ATOM 1857 CA ALA A 121 16.128 6.187 8.654 1.00 0.00 C ATOM 1858 C ALA A 121 16.312 7.505 7.893 1.00 0.00 C ATOM 1859 O ALA A 121 15.625 7.727 6.890 1.00 0.00 O ATOM 1860 CB ALA A 121 16.961 5.075 8.016 1.00 0.00 C ATOM 0 H ALA A 121 14.567 4.936 8.091 1.00 0.00 H new ATOM 0 HA ALA A 121 16.453 6.334 9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 121 18.015 5.350 8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 121 16.815 4.148 8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 121 16.648 4.933 6.982 1.00 0.00 H new ATOM 1866 N PRO A 122 17.247 8.376 8.308 1.00 0.00 N ATOM 1867 CA PRO A 122 17.384 9.694 7.710 1.00 0.00 C ATOM 1868 C PRO A 122 17.843 9.648 6.254 1.00 0.00 C ATOM 1869 O PRO A 122 17.490 10.523 5.469 1.00 0.00 O ATOM 1870 CB PRO A 122 18.352 10.455 8.608 1.00 0.00 C ATOM 1871 CG PRO A 122 19.165 9.366 9.305 1.00 0.00 C ATOM 1872 CD PRO A 122 18.162 8.219 9.428 1.00 0.00 C ATOM 0 HA PRO A 122 16.418 10.196 7.656 1.00 0.00 H new ATOM 0 HB2 PRO A 122 18.993 11.119 8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 122 17.820 11.076 9.329 1.00 0.00 H new ATOM 0 HG2 PRO A 122 20.039 9.078 8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 122 19.527 9.693 10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 122 18.665 7.253 9.390 1.00 0.00 H new ATOM 0 HD3 PRO A 122 17.630 8.264 10.378 1.00 0.00 H new ATOM 1880 N GLU A 123 18.572 8.604 5.863 1.00 0.00 N ATOM 1881 CA GLU A 123 18.929 8.324 4.481 1.00 0.00 C ATOM 1882 C GLU A 123 17.695 8.361 3.573 1.00 0.00 C ATOM 1883 O GLU A 123 17.788 8.826 2.433 1.00 0.00 O ATOM 1884 CB GLU A 123 19.718 7.003 4.346 1.00 0.00 C ATOM 1885 CG GLU A 123 19.342 5.876 5.328 1.00 0.00 C ATOM 1886 CD GLU A 123 20.231 5.895 6.578 1.00 0.00 C ATOM 1887 OE1 GLU A 123 20.170 6.891 7.328 1.00 0.00 O ATOM 1888 OE2 GLU A 123 21.077 4.986 6.752 1.00 0.00 O ATOM 0 H GLU A 123 18.938 7.914 6.519 1.00 0.00 H new ATOM 0 HA GLU A 123 19.599 9.116 4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 123 19.587 6.629 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 123 20.778 7.224 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.298 5.982 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 123 19.436 4.912 4.829 1.00 0.00 H new ATOM 1895 N TRP A 124 16.530 7.921 4.060 1.00 0.00 N ATOM 1896 CA TRP A 124 15.336 7.788 3.241 1.00 0.00 C ATOM 1897 C TRP A 124 14.590 9.122 3.093 1.00 0.00 C ATOM 1898 O TRP A 124 13.451 9.121 2.632 1.00 0.00 O ATOM 1899 CB TRP A 124 14.426 6.679 3.783 1.00 0.00 C ATOM 1900 CG TRP A 124 15.038 5.313 3.927 1.00 0.00 C ATOM 1901 CD1 TRP A 124 16.267 4.933 3.508 1.00 0.00 C ATOM 1902 CD2 TRP A 124 14.424 4.106 4.468 1.00 0.00 C ATOM 1903 NE1 TRP A 124 16.504 3.622 3.878 1.00 0.00 N ATOM 1904 CE2 TRP A 124 15.394 3.061 4.477 1.00 0.00 C ATOM 1905 CE3 TRP A 124 13.123 3.787 4.908 1.00 0.00 C ATOM 1906 CZ2 TRP A 124 15.102 1.775 4.959 1.00 0.00 C ATOM 1907 CZ3 TRP A 124 12.809 2.493 5.372 1.00 0.00 C ATOM 1908 CH2 TRP A 124 13.800 1.491 5.410 1.00 0.00 C ATOM 0 H TRP A 124 16.396 7.649 5.034 1.00 0.00 H new ATOM 0 HA TRP A 124 15.651 7.498 2.239 1.00 0.00 H new ATOM 0 HB2 TRP A 124 14.055 6.990 4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 124 13.561 6.597 3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 124 16.959 5.560 2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 124 17.386 3.132 3.728 1.00 0.00 H new ATOM 0 HE3 TRP A 124 12.355 4.546 4.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 15.867 1.013 4.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.805 2.268 5.700 1.00 0.00 H new ATOM 0 HH2 TRP A 124 13.560 0.507 5.785 1.00 0.00 H new ATOM 1919 N LEU A 125 15.174 10.269 3.460 1.00 0.00 N ATOM 1920 CA LEU A 125 14.672 11.572 3.023 1.00 0.00 C ATOM 1921 C LEU A 125 15.343 12.025 1.721 1.00 0.00 C ATOM 1922 O LEU A 125 14.738 12.812 0.992 1.00 0.00 O ATOM 1923 CB LEU A 125 14.908 12.648 4.101 1.00 0.00 C ATOM 1924 CG LEU A 125 14.054 12.571 5.384 1.00 0.00 C ATOM 1925 CD1 LEU A 125 12.564 12.318 5.133 1.00 0.00 C ATOM 1926 CD2 LEU A 125 14.636 11.569 6.377 1.00 0.00 C ATOM 0 H LEU A 125 15.997 10.318 4.060 1.00 0.00 H new ATOM 0 HA LEU A 125 13.602 11.454 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 125 15.957 12.607 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.742 13.624 3.644 1.00 0.00 H new ATOM 0 HG LEU A 125 14.103 13.565 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.036 12.278 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.155 13.125 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 125 12.439 11.370 4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.012 11.538 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 125 14.666 10.580 5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.646 11.873 6.651 1.00 0.00 H new ATOM 1938 N PHE A 126 16.566 11.580 1.405 1.00 0.00 N ATOM 1939 CA PHE A 126 17.342 12.144 0.290 1.00 0.00 C ATOM 1940 C PHE A 126 17.060 11.430 -1.033 1.00 0.00 C ATOM 1941 O PHE A 126 17.213 12.013 -2.107 1.00 0.00 O ATOM 1942 CB PHE A 126 18.834 12.081 0.617 1.00 0.00 C ATOM 1943 CG PHE A 126 19.181 12.505 2.034 1.00 0.00 C ATOM 1944 CD1 PHE A 126 18.943 13.823 2.465 1.00 0.00 C ATOM 1945 CD2 PHE A 126 19.673 11.557 2.948 1.00 0.00 C ATOM 1946 CE1 PHE A 126 19.198 14.187 3.798 1.00 0.00 C ATOM 1947 CE2 PHE A 126 19.926 11.920 4.283 1.00 0.00 C ATOM 1948 CZ PHE A 126 19.696 13.237 4.709 1.00 0.00 C ATOM 0 H PHE A 126 17.041 10.830 1.906 1.00 0.00 H new ATOM 0 HA PHE A 126 17.034 13.182 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 126 19.186 11.062 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 126 19.375 12.718 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 126 18.563 14.557 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 126 19.858 10.544 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 126 19.011 15.199 4.125 1.00 0.00 H new ATOM 0 HE2 PHE A 126 20.298 11.184 4.981 1.00 0.00 H new ATOM 0 HZ PHE A 126 19.900 13.520 5.731 1.00 0.00 H new ATOM 1958 N LEU A 127 16.640 10.167 -0.935 1.00 0.00 N ATOM 1959 CA LEU A 127 16.170 9.316 -2.027 1.00 0.00 C ATOM 1960 C LEU A 127 15.181 9.985 -3.000 1.00 0.00 C ATOM 1961 O LEU A 127 14.596 11.020 -2.675 1.00 0.00 O ATOM 1962 CB LEU A 127 15.888 7.842 -1.627 1.00 0.00 C ATOM 1963 CG LEU A 127 15.383 7.607 -0.242 1.00 0.00 C ATOM 1964 CD1 LEU A 127 14.252 8.580 -0.172 1.00 0.00 C ATOM 1965 CD2 LEU A 127 15.061 6.123 -0.010 1.00 0.00 C ATOM 0 H LEU A 127 16.618 9.683 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 127 17.040 9.199 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 127 15.161 7.433 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 127 16.809 7.273 -1.754 1.00 0.00 H new ATOM 0 HG LEU A 127 16.085 7.783 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 127 13.778 8.517 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 127 14.631 9.590 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 127 13.520 8.344 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 127 14.696 5.985 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.296 5.802 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 127 15.963 5.528 -0.156 1.00 0.00 H new ATOM 1977 N PRO A 128 15.001 9.428 -4.207 1.00 0.00 N ATOM 1978 CA PRO A 128 14.069 9.919 -5.197 1.00 0.00 C ATOM 1979 C PRO A 128 12.727 9.223 -4.988 1.00 0.00 C ATOM 1980 O PRO A 128 12.645 8.043 -4.625 1.00 0.00 O ATOM 1981 CB PRO A 128 14.700 9.567 -6.542 1.00 0.00 C ATOM 1982 CG PRO A 128 15.648 8.404 -6.234 1.00 0.00 C ATOM 1983 CD PRO A 128 15.642 8.241 -4.723 1.00 0.00 C ATOM 0 HA PRO A 128 13.882 10.991 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 128 13.943 9.278 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 128 15.239 10.417 -6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 128 15.315 7.490 -6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 128 16.653 8.614 -6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 128 15.100 7.343 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 128 16.656 8.143 -4.335 1.00 0.00 H new ATOM 1991 N TYR A 129 11.661 9.976 -5.182 1.00 0.00 N ATOM 1992 CA TYR A 129 10.311 9.585 -4.825 1.00 0.00 C ATOM 1993 C TYR A 129 9.600 9.050 -6.061 1.00 0.00 C ATOM 1994 O TYR A 129 10.197 8.903 -7.137 1.00 0.00 O ATOM 1995 CB TYR A 129 9.600 10.776 -4.172 1.00 0.00 C ATOM 1996 CG TYR A 129 10.323 11.389 -2.978 1.00 0.00 C ATOM 1997 CD1 TYR A 129 11.381 10.755 -2.275 1.00 0.00 C ATOM 1998 CD2 TYR A 129 9.930 12.683 -2.613 1.00 0.00 C ATOM 1999 CE1 TYR A 129 12.024 11.441 -1.233 1.00 0.00 C ATOM 2000 CE2 TYR A 129 10.547 13.359 -1.548 1.00 0.00 C ATOM 2001 CZ TYR A 129 11.624 12.744 -0.874 1.00 0.00 C ATOM 2002 OH TYR A 129 12.313 13.432 0.077 1.00 0.00 O ATOM 0 H TYR A 129 11.712 10.903 -5.604 1.00 0.00 H new ATOM 0 HA TYR A 129 10.311 8.778 -4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 129 9.456 11.550 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 129 8.609 10.455 -3.851 1.00 0.00 H new ATOM 0 HD1 TYR A 129 11.688 9.754 -2.540 1.00 0.00 H new ATOM 0 HD2 TYR A 129 9.137 13.170 -3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 129 12.834 10.965 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 129 10.202 14.337 -1.248 1.00 0.00 H new ATOM 0 HH TYR A 129 13.259 13.177 0.045 1.00 0.00 H new ATOM 2012 N HIS A 130 8.335 8.694 -5.882 1.00 0.00 N ATOM 2013 CA HIS A 130 7.488 8.159 -6.943 1.00 0.00 C ATOM 2014 C HIS A 130 6.100 8.792 -6.893 1.00 0.00 C ATOM 2015 O HIS A 130 5.843 9.652 -6.057 1.00 0.00 O ATOM 2016 CB HIS A 130 7.422 6.622 -6.836 1.00 0.00 C ATOM 2017 CG HIS A 130 8.739 5.914 -7.040 1.00 0.00 C ATOM 2018 ND1 HIS A 130 9.094 5.158 -8.138 1.00 0.00 N ATOM 2019 CD2 HIS A 130 9.780 5.872 -6.153 1.00 0.00 C ATOM 2020 CE1 HIS A 130 10.339 4.695 -7.929 1.00 0.00 C ATOM 2021 NE2 HIS A 130 10.802 5.113 -6.736 1.00 0.00 N ATOM 0 H HIS A 130 7.860 8.769 -4.983 1.00 0.00 H new ATOM 0 HA HIS A 130 7.922 8.410 -7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.032 6.357 -5.853 1.00 0.00 H new ATOM 0 HB3 HIS A 130 6.709 6.251 -7.572 1.00 0.00 H new ATOM 0 HD2 HIS A 130 9.808 6.339 -5.180 1.00 0.00 H new ATOM 0 HE1 HIS A 130 10.890 4.075 -8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 130 11.719 4.915 -6.335 1.00 0.00 H new ATOM 2029 N GLU A 131 5.211 8.370 -7.797 1.00 0.00 N ATOM 2030 CA GLU A 131 3.790 8.721 -7.751 1.00 0.00 C ATOM 2031 C GLU A 131 2.886 7.494 -7.990 1.00 0.00 C ATOM 2032 O GLU A 131 1.683 7.484 -7.719 1.00 0.00 O ATOM 2033 CB GLU A 131 3.506 9.811 -8.783 1.00 0.00 C ATOM 2034 CG GLU A 131 2.349 10.728 -8.341 1.00 0.00 C ATOM 2035 CD GLU A 131 1.801 11.611 -9.462 1.00 0.00 C ATOM 2036 OE1 GLU A 131 1.896 11.251 -10.660 1.00 0.00 O ATOM 2037 OE2 GLU A 131 1.172 12.648 -9.149 1.00 0.00 O ATOM 0 H GLU A 131 5.459 7.772 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 131 3.560 9.093 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 131 4.405 10.408 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 131 3.260 9.351 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 131 1.540 10.113 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 131 2.693 11.364 -7.525 1.00 0.00 H new ATOM 2044 N SER A 132 3.477 6.417 -8.502 1.00 0.00 N ATOM 2045 CA SER A 132 2.932 5.076 -8.456 1.00 0.00 C ATOM 2046 C SER A 132 4.099 4.109 -8.298 1.00 0.00 C ATOM 2047 O SER A 132 5.224 4.410 -8.718 1.00 0.00 O ATOM 2048 CB SER A 132 2.096 4.784 -9.709 1.00 0.00 C ATOM 2049 OG SER A 132 2.792 5.058 -10.914 1.00 0.00 O ATOM 0 H SER A 132 4.379 6.463 -8.975 1.00 0.00 H new ATOM 0 HA SER A 132 2.254 4.961 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.792 3.737 -9.701 1.00 0.00 H new ATOM 0 HB3 SER A 132 1.184 5.381 -9.678 1.00 0.00 H new ATOM 0 HG SER A 132 2.215 4.853 -11.679 1.00 0.00 H new ATOM 2055 N TYR A 133 3.828 2.954 -7.703 1.00 0.00 N ATOM 2056 CA TYR A 133 4.728 1.815 -7.699 1.00 0.00 C ATOM 2057 C TYR A 133 4.361 0.939 -8.903 1.00 0.00 C ATOM 2058 O TYR A 133 3.202 0.973 -9.329 1.00 0.00 O ATOM 2059 CB TYR A 133 4.525 1.092 -6.355 1.00 0.00 C ATOM 2060 CG TYR A 133 5.390 -0.120 -6.073 1.00 0.00 C ATOM 2061 CD1 TYR A 133 6.706 -0.207 -6.568 1.00 0.00 C ATOM 2062 CD2 TYR A 133 4.888 -1.145 -5.247 1.00 0.00 C ATOM 2063 CE1 TYR A 133 7.500 -1.328 -6.294 1.00 0.00 C ATOM 2064 CE2 TYR A 133 5.690 -2.255 -4.936 1.00 0.00 C ATOM 2065 CZ TYR A 133 6.992 -2.352 -5.469 1.00 0.00 C ATOM 2066 OH TYR A 133 7.792 -3.385 -5.103 1.00 0.00 O ATOM 0 H TYR A 133 2.957 2.783 -7.200 1.00 0.00 H new ATOM 0 HA TYR A 133 5.780 2.087 -7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 133 4.689 1.815 -5.556 1.00 0.00 H new ATOM 0 HB3 TYR A 133 3.482 0.782 -6.295 1.00 0.00 H new ATOM 0 HD1 TYR A 133 7.107 0.599 -7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 133 3.885 -1.077 -4.852 1.00 0.00 H new ATOM 0 HE1 TYR A 133 8.493 -1.407 -6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 133 5.310 -3.033 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 133 8.722 -3.079 -5.057 1.00 0.00 H new ATOM 2076 N ASP A 134 5.265 0.098 -9.410 1.00 0.00 N ATOM 2077 CA ASP A 134 4.953 -0.978 -10.362 1.00 0.00 C ATOM 2078 C ASP A 134 6.187 -1.871 -10.527 1.00 0.00 C ATOM 2079 O ASP A 134 7.306 -1.351 -10.655 1.00 0.00 O ATOM 2080 CB ASP A 134 4.624 -0.387 -11.746 1.00 0.00 C ATOM 2081 CG ASP A 134 4.110 -1.430 -12.728 1.00 0.00 C ATOM 2082 OD1 ASP A 134 3.569 -2.466 -12.306 1.00 0.00 O ATOM 2083 OD2 ASP A 134 4.260 -1.193 -13.945 1.00 0.00 O ATOM 0 H ASP A 134 6.255 0.144 -9.168 1.00 0.00 H new ATOM 0 HA ASP A 134 4.101 -1.542 -9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 134 3.876 0.397 -11.632 1.00 0.00 H new ATOM 0 HB3 ASP A 134 5.518 0.082 -12.157 1.00 0.00 H new ATOM 2088 N SER A 135 6.027 -3.194 -10.593 1.00 0.00 N ATOM 2089 CA SER A 135 7.131 -4.081 -10.947 1.00 0.00 C ATOM 2090 C SER A 135 7.334 -4.134 -12.470 1.00 0.00 C ATOM 2091 O SER A 135 8.435 -4.453 -12.912 1.00 0.00 O ATOM 2092 CB SER A 135 6.932 -5.481 -10.355 1.00 0.00 C ATOM 2093 OG SER A 135 7.021 -5.470 -8.940 1.00 0.00 O ATOM 0 H SER A 135 5.145 -3.672 -10.406 1.00 0.00 H new ATOM 0 HA SER A 135 8.041 -3.670 -10.510 1.00 0.00 H new ATOM 0 HB2 SER A 135 5.958 -5.868 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 135 7.683 -6.158 -10.762 1.00 0.00 H new ATOM 0 HG SER A 135 6.888 -6.378 -8.597 1.00 0.00 H new ATOM 2099 N GLU A 136 6.354 -3.755 -13.296 1.00 0.00 N ATOM 2100 CA GLU A 136 6.521 -3.771 -14.756 1.00 0.00 C ATOM 2101 C GLU A 136 7.103 -2.445 -15.274 1.00 0.00 C ATOM 2102 O GLU A 136 7.539 -2.370 -16.426 1.00 0.00 O ATOM 2103 CB GLU A 136 5.182 -4.110 -15.422 1.00 0.00 C ATOM 2104 CG GLU A 136 4.832 -5.598 -15.270 1.00 0.00 C ATOM 2105 CD GLU A 136 3.325 -5.818 -15.357 1.00 0.00 C ATOM 2106 OE1 GLU A 136 2.615 -5.522 -14.370 1.00 0.00 O ATOM 2107 OE2 GLU A 136 2.818 -6.269 -16.414 1.00 0.00 O ATOM 0 H GLU A 136 5.438 -3.434 -12.982 1.00 0.00 H new ATOM 0 HA GLU A 136 7.243 -4.544 -15.020 1.00 0.00 H new ATOM 0 HB2 GLU A 136 4.392 -3.503 -14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 136 5.227 -3.853 -16.480 1.00 0.00 H new ATOM 0 HG2 GLU A 136 5.333 -6.174 -16.048 1.00 0.00 H new ATOM 0 HG3 GLU A 136 5.202 -5.966 -14.313 1.00 0.00 H new ATOM 2114 N GLY A 137 7.151 -1.405 -14.432 1.00 0.00 N ATOM 2115 CA GLY A 137 7.683 -0.089 -14.767 1.00 0.00 C ATOM 2116 C GLY A 137 9.163 -0.150 -15.156 1.00 0.00 C ATOM 2117 O GLY A 137 9.849 -1.119 -14.810 1.00 0.00 O ATOM 0 H GLY A 137 6.810 -1.463 -13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 137 7.109 0.335 -15.591 1.00 0.00 H new ATOM 0 HA3 GLY A 137 7.559 0.580 -13.915 1.00 0.00 H new ATOM 2121 N PRO A 138 9.697 0.897 -15.803 1.00 0.00 N ATOM 2122 CA PRO A 138 11.072 0.940 -16.301 1.00 0.00 C ATOM 2123 C PRO A 138 12.125 1.066 -15.191 1.00 0.00 C ATOM 2124 O PRO A 138 13.320 1.036 -15.491 1.00 0.00 O ATOM 2125 CB PRO A 138 11.105 2.120 -17.275 1.00 0.00 C ATOM 2126 CG PRO A 138 10.086 3.070 -16.662 1.00 0.00 C ATOM 2127 CD PRO A 138 9.007 2.135 -16.124 1.00 0.00 C ATOM 0 HA PRO A 138 11.337 0.001 -16.788 1.00 0.00 H new ATOM 0 HB2 PRO A 138 12.096 2.570 -17.336 1.00 0.00 H new ATOM 0 HB3 PRO A 138 10.827 1.822 -18.286 1.00 0.00 H new ATOM 0 HG2 PRO A 138 10.526 3.674 -15.868 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.685 3.761 -17.403 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.525 2.557 -15.242 1.00 0.00 H new ATOM 0 HD3 PRO A 138 8.225 1.969 -16.865 1.00 0.00 H new ATOM 2135 N HIS A 139 11.704 1.150 -13.926 1.00 0.00 N ATOM 2136 CA HIS A 139 12.516 1.487 -12.765 1.00 0.00 C ATOM 2137 C HIS A 139 13.794 0.671 -12.614 1.00 0.00 C ATOM 2138 O HIS A 139 14.748 1.172 -12.032 1.00 0.00 O ATOM 2139 CB HIS A 139 11.669 1.338 -11.496 1.00 0.00 C ATOM 2140 CG HIS A 139 10.423 2.181 -11.520 1.00 0.00 C ATOM 2141 ND1 HIS A 139 10.411 3.553 -11.496 1.00 0.00 N ATOM 2142 CD2 HIS A 139 9.129 1.751 -11.627 1.00 0.00 C ATOM 2143 CE1 HIS A 139 9.135 3.952 -11.604 1.00 0.00 C ATOM 2144 NE2 HIS A 139 8.310 2.887 -11.650 1.00 0.00 N ATOM 0 H HIS A 139 10.731 0.974 -13.676 1.00 0.00 H new ATOM 0 HA HIS A 139 12.839 2.516 -12.919 1.00 0.00 H new ATOM 0 HB2 HIS A 139 11.391 0.291 -11.372 1.00 0.00 H new ATOM 0 HB3 HIS A 139 12.271 1.613 -10.630 1.00 0.00 H new ATOM 0 HD2 HIS A 139 8.799 0.724 -11.683 1.00 0.00 H new ATOM 0 HE1 HIS A 139 8.814 4.982 -11.648 1.00 0.00 H new ATOM 0 HE2 HIS A 139 7.291 2.905 -11.693 1.00 0.00 H new ATOM 2152 N GLY A 140 13.819 -0.580 -13.080 1.00 0.00 N ATOM 2153 CA GLY A 140 14.963 -1.478 -12.950 1.00 0.00 C ATOM 2154 C GLY A 140 15.135 -2.023 -11.533 1.00 0.00 C ATOM 2155 O GLY A 140 15.642 -3.135 -11.390 1.00 0.00 O ATOM 0 H GLY A 140 13.029 -1.003 -13.567 1.00 0.00 H new ATOM 0 HA2 GLY A 140 14.844 -2.312 -13.642 1.00 0.00 H new ATOM 0 HA3 GLY A 140 15.869 -0.948 -13.242 1.00 0.00 H new ATOM 2159 N LEU A 141 14.664 -1.304 -10.511 1.00 0.00 N ATOM 2160 CA LEU A 141 14.504 -1.763 -9.141 1.00 0.00 C ATOM 2161 C LEU A 141 13.051 -2.188 -8.919 1.00 0.00 C ATOM 2162 O LEU A 141 12.108 -1.423 -9.139 1.00 0.00 O ATOM 2163 CB LEU A 141 15.030 -0.742 -8.105 1.00 0.00 C ATOM 2164 CG LEU A 141 15.000 0.770 -8.406 1.00 0.00 C ATOM 2165 CD1 LEU A 141 13.642 1.402 -8.142 1.00 0.00 C ATOM 2166 CD2 LEU A 141 16.002 1.484 -7.492 1.00 0.00 C ATOM 0 H LEU A 141 14.370 -0.335 -10.630 1.00 0.00 H new ATOM 0 HA LEU A 141 15.131 -2.640 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 141 14.465 -0.898 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 141 16.066 -1.006 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 141 15.241 0.879 -9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 141 13.685 2.466 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 141 12.890 0.925 -8.771 1.00 0.00 H new ATOM 0 HD13 LEU A 141 13.376 1.268 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 141 15.986 2.554 -7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 141 15.731 1.313 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 141 17.003 1.094 -7.675 1.00 0.00 H new ATOM 2178 N ARG A 142 12.862 -3.456 -8.547 1.00 0.00 N ATOM 2179 CA ARG A 142 11.580 -4.092 -8.247 1.00 0.00 C ATOM 2180 C ARG A 142 11.714 -4.936 -6.992 1.00 0.00 C ATOM 2181 O ARG A 142 12.839 -5.286 -6.643 1.00 0.00 O ATOM 2182 CB ARG A 142 11.161 -5.034 -9.378 1.00 0.00 C ATOM 2183 CG ARG A 142 10.944 -4.331 -10.707 1.00 0.00 C ATOM 2184 CD ARG A 142 12.196 -4.249 -11.576 1.00 0.00 C ATOM 2185 NE ARG A 142 11.874 -3.543 -12.819 1.00 0.00 N ATOM 2186 CZ ARG A 142 12.152 -3.963 -14.058 1.00 0.00 C ATOM 2187 NH1 ARG A 142 13.020 -4.949 -14.292 1.00 0.00 N ATOM 2188 NH2 ARG A 142 11.546 -3.370 -15.074 1.00 0.00 N ATOM 0 H ARG A 142 13.645 -4.102 -8.442 1.00 0.00 H new ATOM 0 HA ARG A 142 10.839 -3.303 -8.121 1.00 0.00 H new ATOM 0 HB2 ARG A 142 11.926 -5.801 -9.503 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.241 -5.545 -9.092 1.00 0.00 H new ATOM 0 HG2 ARG A 142 10.164 -4.854 -11.260 1.00 0.00 H new ATOM 0 HG3 ARG A 142 10.579 -3.322 -10.517 1.00 0.00 H new ATOM 0 HD2 ARG A 142 12.990 -3.727 -11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 142 12.566 -5.250 -11.798 1.00 0.00 H new ATOM 0 HE ARG A 142 11.393 -2.648 -12.731 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.494 -5.407 -13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 142 13.209 -5.245 -15.249 1.00 0.00 H new ATOM 0 HH21 ARG A 142 10.885 -2.612 -14.902 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.740 -3.671 -16.029 1.00 0.00 H new ATOM 2202 N TYR A 143 10.589 -5.303 -6.361 1.00 0.00 N ATOM 2203 CA TYR A 143 10.635 -6.125 -5.150 1.00 0.00 C ATOM 2204 C TYR A 143 11.258 -7.463 -5.493 1.00 0.00 C ATOM 2205 O TYR A 143 10.724 -8.203 -6.334 1.00 0.00 O ATOM 2206 CB TYR A 143 9.259 -6.318 -4.500 1.00 0.00 C ATOM 2207 CG TYR A 143 9.243 -7.214 -3.268 1.00 0.00 C ATOM 2208 CD1 TYR A 143 10.070 -6.915 -2.168 1.00 0.00 C ATOM 2209 CD2 TYR A 143 8.375 -8.323 -3.193 1.00 0.00 C ATOM 2210 CE1 TYR A 143 10.024 -7.704 -1.004 1.00 0.00 C ATOM 2211 CE2 TYR A 143 8.314 -9.107 -2.028 1.00 0.00 C ATOM 2212 CZ TYR A 143 9.134 -8.799 -0.918 1.00 0.00 C ATOM 2213 OH TYR A 143 9.038 -9.544 0.216 1.00 0.00 O ATOM 0 H TYR A 143 9.650 -5.046 -6.666 1.00 0.00 H new ATOM 0 HA TYR A 143 11.241 -5.600 -4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 143 8.865 -5.340 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 143 8.580 -6.736 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 143 10.745 -6.073 -2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 143 7.751 -8.572 -4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 143 10.672 -7.472 -0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 143 7.638 -9.948 -1.980 1.00 0.00 H new ATOM 0 HH TYR A 143 8.373 -10.252 0.087 1.00 0.00 H new ATOM 2223 N ASN A 144 12.381 -7.760 -4.846 1.00 0.00 N ATOM 2224 CA ASN A 144 13.225 -8.898 -5.165 1.00 0.00 C ATOM 2225 C ASN A 144 13.296 -9.786 -3.927 1.00 0.00 C ATOM 2226 O ASN A 144 14.297 -9.758 -3.205 1.00 0.00 O ATOM 2227 CB ASN A 144 14.584 -8.398 -5.697 1.00 0.00 C ATOM 2228 CG ASN A 144 14.520 -8.035 -7.191 1.00 0.00 C ATOM 2229 OD1 ASN A 144 13.485 -8.156 -7.846 1.00 0.00 O ATOM 2230 ND2 ASN A 144 15.617 -7.595 -7.783 1.00 0.00 N ATOM 0 H ASN A 144 12.734 -7.202 -4.069 1.00 0.00 H new ATOM 0 HA ASN A 144 12.820 -9.513 -5.968 1.00 0.00 H new ATOM 0 HB2 ASN A 144 14.898 -7.525 -5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 144 15.339 -9.169 -5.543 1.00 0.00 H new ATOM 0 HD21 ASN A 144 15.601 -7.359 -8.775 1.00 0.00 H new ATOM 0 HD22 ASN A 144 16.479 -7.492 -7.248 1.00 0.00 H new