USER MOD reduce.3.24.130724 H: found=0, std=0, add=1064, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1050 hydrogens (25 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 121 THR OG1 : rot -135:sc= 1.38 USER MOD Set 1.2: A 122 SER OG : rot 17:sc= 0.204 USER MOD Set 1.3: A 125 THR OG1 : rot 76:sc= 2.31 USER MOD Set 2.1: A 99 GLN : amide:sc= -0.826 K(o=-0.83,f=-2.8) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.267) USER MOD Set 3.1: A 64 TYR OH : rot 167:sc= 0.349 USER MOD Set 3.2: A 71 CYS SG : rot -144:sc= 1.88 USER MOD Set 3.3: A 93 ASN : amide:sc= -0.397 X(o=1.8,f=1.5) USER MOD Set 4.1: A 1 MET N :NH3+ -161:sc= -0.0329 (180deg=-0.576) USER MOD Set 4.2: A 84 LYS NZ :NH3+ 170:sc= -0.228 (180deg=-0.313) USER MOD Set 5.1: A 59 CYS SG : rot 9:sc= -0.697 USER MOD Set 5.2: A 117 TYR OH : rot 59:sc= -0.303 USER MOD Set 6.1: A 26 SER OG : rot 57:sc= 2.33 USER MOD Set 6.2: A 126 THR OG1 : rot 83:sc= 1.13 USER MOD Set 7.1: A 25 HIS : no HD1:sc= -0.346 X(o=-0.83,f=-0.85) USER MOD Set 7.2: A 29 ASN : amide:sc= -0.487 X(o=-0.83,f=-0.85) USER MOD Set 8.1: A 16 HIS : no HD1:sc= 0 K(o=-1,f=-2.2) USER MOD Set 8.2: A 20 ASN : amide:sc= -1.01 K(o=-1,f=-5.7!) USER MOD Set 9.1: A 3 LYS NZ :NH3+ -144:sc= 0.791 (180deg=-0.0945) USER MOD Set 9.2: A 5 THR OG1 : rot 152:sc= 1.69 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.019 (180deg=-0.0383) USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00107) USER MOD Single : A 13 SER OG : rot 110:sc= -1.03 USER MOD Single : A 15 CYS SG : rot 41:sc= -0.158 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -73:sc= 0.0607 USER MOD Single : A 33 ASN : amide:sc=-0.000672 K(o=-0.00067,f=-0.83) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 41 SER OG : rot 90:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.115 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.21 F(o=-3.3!,f=-1.2) USER MOD Single : A 48 ASN : amide:sc=-0.000618 X(o=-0.00062,f=0) USER MOD Single : A 53 THR OG1 : rot -120:sc= -0.128 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -0.0235 (180deg=-0.0235) USER MOD Single : A 61 SER OG : rot -34:sc= 1.02 USER MOD Single : A 62 SER OG : rot 160:sc= -0.131 USER MOD Single : A 66 GLN : amide:sc= -0.547 X(o=-0.55,f=-0.33) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -148:sc= -2.08 (180deg=-4.05!) USER MOD Single : A 78 CYS SG : rot 166:sc= -0.857 USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00675) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00973) USER MOD Single : A 100 ASN : amide:sc= 0.133 K(o=0.13,f=-4.4!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -176:sc= 0 (180deg=-0.0233) USER MOD Single : A 130 MET CE :methyl 166:sc= -1.18 (180deg=-1.26) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 FOP N4 :NH3+ -173:sc= -0.0119 (180deg=-0.072) USER MOD Single : A 139 DBI O2' : rot -118:sc= -0.0312 USER MOD Single : A 139 DBI O5' : rot 180:sc= -0.0557 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.877 6.599 10.852 1.00 0.00 N ATOM 2 CA MET A 1 -1.663 5.219 11.230 1.00 0.00 C ATOM 3 C MET A 1 -3.049 4.579 11.309 1.00 0.00 C ATOM 4 O MET A 1 -3.266 3.481 10.811 1.00 0.00 O ATOM 5 CB MET A 1 -0.906 5.124 12.566 1.00 0.00 C ATOM 6 CG MET A 1 -0.696 3.675 13.021 1.00 0.00 C ATOM 7 SD MET A 1 0.331 3.579 14.495 1.00 0.00 S ATOM 8 CE MET A 1 0.588 1.798 14.509 1.00 0.00 C ATOM 0 H1 MET A 1 -0.993 6.996 10.474 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.618 6.649 10.124 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.173 7.145 11.686 1.00 0.00 H new ATOM 0 HA MET A 1 -1.042 4.696 10.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.063 5.614 12.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.460 5.665 13.333 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.663 3.213 13.221 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.231 3.105 12.216 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.151 1.519 15.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.377 1.291 14.516 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.146 1.504 13.620 1.00 0.00 H new ATOM 20 N GLU A 2 -3.960 5.333 11.967 1.00 0.00 N ATOM 21 CA GLU A 2 -5.335 4.898 12.158 1.00 0.00 C ATOM 22 C GLU A 2 -6.236 5.833 11.333 1.00 0.00 C ATOM 23 O GLU A 2 -7.450 5.836 11.499 1.00 0.00 O ATOM 24 CB GLU A 2 -5.685 4.935 13.657 1.00 0.00 C ATOM 25 CG GLU A 2 -4.726 4.072 14.491 1.00 0.00 C ATOM 26 CD GLU A 2 -5.207 3.943 15.945 1.00 0.00 C ATOM 27 OE1 GLU A 2 -4.977 4.866 16.726 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.802 2.919 16.282 1.00 0.00 O ATOM 0 H GLU A 2 -3.752 6.246 12.370 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.481 3.872 11.821 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.649 5.965 14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.707 4.584 13.800 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.644 3.081 14.044 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.729 4.513 14.474 1.00 0.00 H new ATOM 35 N LYS A 3 -5.594 6.614 10.432 1.00 0.00 N ATOM 36 CA LYS A 3 -6.260 7.553 9.575 1.00 0.00 C ATOM 37 C LYS A 3 -7.051 6.751 8.524 1.00 0.00 C ATOM 38 O LYS A 3 -6.660 5.684 8.068 1.00 0.00 O ATOM 39 CB LYS A 3 -5.173 8.461 8.993 1.00 0.00 C ATOM 40 CG LYS A 3 -5.696 9.861 8.733 1.00 0.00 C ATOM 41 CD LYS A 3 -4.927 10.645 7.656 1.00 0.00 C ATOM 42 CE LYS A 3 -5.857 11.479 6.767 1.00 0.00 C ATOM 43 NZ LYS A 3 -6.703 10.677 5.891 1.00 0.00 N ATOM 0 H LYS A 3 -4.583 6.589 10.298 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.983 8.190 10.084 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.330 8.509 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.800 8.033 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.743 9.794 8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.665 10.425 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.202 11.302 8.136 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.364 9.948 7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.490 12.100 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -5.255 12.154 6.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.822 11.166 4.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.258 9.751 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.633 10.542 6.335 1.00 0.00 H new ATOM 56 N LYS A 4 -8.195 7.383 8.197 1.00 0.00 N ATOM 57 CA LYS A 4 -9.210 6.895 7.280 1.00 0.00 C ATOM 58 C LYS A 4 -8.749 7.187 5.855 1.00 0.00 C ATOM 59 O LYS A 4 -8.944 8.276 5.335 1.00 0.00 O ATOM 60 CB LYS A 4 -10.566 7.563 7.593 1.00 0.00 C ATOM 61 CG LYS A 4 -10.502 9.097 7.752 1.00 0.00 C ATOM 62 CD LYS A 4 -10.338 9.562 9.207 1.00 0.00 C ATOM 63 CE LYS A 4 -9.931 11.037 9.295 1.00 0.00 C ATOM 64 NZ LYS A 4 -10.949 11.936 8.766 1.00 0.00 N ATOM 0 H LYS A 4 -8.436 8.292 8.592 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.347 5.819 7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.268 7.322 6.795 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.966 7.132 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.669 9.480 7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.412 9.534 7.341 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.275 9.412 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.585 8.948 9.701 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.732 11.293 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.001 11.186 8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.629 12.920 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.110 11.725 7.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.836 11.805 9.294 1.00 0.00 H new ATOM 77 N THR A 5 -8.127 6.143 5.263 1.00 0.00 N ATOM 78 CA THR A 5 -7.619 6.216 3.898 1.00 0.00 C ATOM 79 C THR A 5 -6.836 4.907 3.728 1.00 0.00 C ATOM 80 O THR A 5 -5.797 4.706 4.342 1.00 0.00 O ATOM 81 CB THR A 5 -6.728 7.493 3.704 1.00 0.00 C ATOM 82 OG1 THR A 5 -6.163 8.020 4.945 1.00 0.00 O ATOM 83 CG2 THR A 5 -7.426 8.560 2.793 1.00 0.00 C ATOM 0 H THR A 5 -7.971 5.244 5.720 1.00 0.00 H new ATOM 0 HA THR A 5 -8.402 6.312 3.145 1.00 0.00 H new ATOM 0 HB THR A 5 -5.844 7.172 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.320 8.480 4.751 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.775 9.428 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.622 8.128 1.811 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.368 8.867 3.248 1.00 0.00 H new ATOM 91 N ILE A 6 -7.393 4.032 2.864 1.00 0.00 N ATOM 92 CA ILE A 6 -6.797 2.753 2.568 1.00 0.00 C ATOM 93 C ILE A 6 -7.048 2.613 1.082 1.00 0.00 C ATOM 94 O ILE A 6 -8.172 2.652 0.595 1.00 0.00 O ATOM 95 CB ILE A 6 -7.332 1.557 3.389 1.00 0.00 C ATOM 96 CG1 ILE A 6 -8.801 1.749 3.936 1.00 0.00 C ATOM 97 CG2 ILE A 6 -6.567 0.266 2.899 1.00 0.00 C ATOM 98 CD1 ILE A 6 -9.215 0.620 4.897 1.00 0.00 C ATOM 0 H ILE A 6 -8.264 4.210 2.365 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.744 2.729 2.847 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.120 1.392 4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.873 2.707 4.451 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.497 1.784 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.920 -0.600 3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.755 0.113 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.497 0.393 3.064 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.232 0.795 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.170 -0.336 4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.536 0.601 5.750 1.00 0.00 H new ATOM 110 N VAL A 7 -5.893 2.457 0.423 1.00 0.00 N ATOM 111 CA VAL A 7 -5.803 2.359 -0.999 1.00 0.00 C ATOM 112 C VAL A 7 -5.458 0.933 -1.406 1.00 0.00 C ATOM 113 O VAL A 7 -4.757 0.211 -0.711 1.00 0.00 O ATOM 114 CB VAL A 7 -4.723 3.365 -1.527 1.00 0.00 C ATOM 115 CG1 VAL A 7 -4.282 3.560 -3.015 1.00 0.00 C ATOM 116 CG2 VAL A 7 -4.106 4.245 -0.394 1.00 0.00 C ATOM 0 H VAL A 7 -4.990 2.397 0.893 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.766 2.614 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.615 2.947 -2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.513 4.331 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.883 2.622 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.142 3.863 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.365 4.921 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.894 4.826 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.628 3.603 0.346 1.00 0.00 H new ATOM 126 N LEU A 8 -6.026 0.600 -2.588 1.00 0.00 N ATOM 127 CA LEU A 8 -5.829 -0.701 -3.217 1.00 0.00 C ATOM 128 C LEU A 8 -5.311 -0.357 -4.607 1.00 0.00 C ATOM 129 O LEU A 8 -5.665 0.674 -5.166 1.00 0.00 O ATOM 130 CB LEU A 8 -7.147 -1.505 -3.317 1.00 0.00 C ATOM 131 CG LEU A 8 -7.044 -2.880 -4.043 1.00 0.00 C ATOM 132 CD1 LEU A 8 -7.385 -2.622 -5.567 1.00 0.00 C ATOM 133 CD2 LEU A 8 -5.927 -3.683 -3.275 1.00 0.00 C ATOM 0 H LEU A 8 -6.628 1.229 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.149 -1.330 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.526 -1.674 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.885 -0.894 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.724 -3.732 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.325 -3.561 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.393 -2.216 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.672 -1.911 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.802 -4.663 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.986 -3.136 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.219 -3.806 -2.232 1.00 0.00 H new ATOM 145 N GLY A 9 -4.469 -1.289 -5.121 1.00 0.00 N ATOM 146 CA GLY A 9 -3.907 -1.124 -6.451 1.00 0.00 C ATOM 147 C GLY A 9 -3.225 -2.399 -6.964 1.00 0.00 C ATOM 148 O GLY A 9 -2.792 -3.249 -6.205 1.00 0.00 O ATOM 0 H GLY A 9 -4.180 -2.138 -4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.698 -0.836 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.183 -0.309 -6.437 1.00 0.00 H new ATOM 152 N VAL A 10 -3.194 -2.424 -8.315 1.00 0.00 N ATOM 153 CA VAL A 10 -2.616 -3.403 -9.230 1.00 0.00 C ATOM 154 C VAL A 10 -3.484 -4.623 -9.589 1.00 0.00 C ATOM 155 O VAL A 10 -4.599 -4.465 -10.064 1.00 0.00 O ATOM 156 CB VAL A 10 -1.062 -3.600 -9.238 1.00 0.00 C ATOM 157 CG1 VAL A 10 -0.480 -4.124 -7.891 1.00 0.00 C ATOM 158 CG2 VAL A 10 -0.299 -3.694 -10.589 1.00 0.00 C ATOM 0 H VAL A 10 -3.627 -1.664 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.692 -2.819 -10.147 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.598 -2.614 -9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.601 -4.233 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.709 -3.415 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.924 -5.091 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.765 -3.829 -10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.675 -4.542 -11.161 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.451 -2.777 -11.158 1.00 0.00 H new ATOM 168 N ILE A 11 -2.870 -5.820 -9.407 1.00 0.00 N ATOM 169 CA ILE A 11 -3.376 -7.167 -9.725 1.00 0.00 C ATOM 170 C ILE A 11 -3.333 -7.297 -11.270 1.00 0.00 C ATOM 171 O ILE A 11 -4.032 -6.588 -11.984 1.00 0.00 O ATOM 172 CB ILE A 11 -4.707 -7.638 -9.019 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.755 -9.110 -8.525 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.936 -6.763 -9.405 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.722 -9.611 -7.484 1.00 0.00 C ATOM 0 H ILE A 11 -1.935 -5.864 -9.002 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.721 -7.905 -9.263 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.772 -7.393 -7.959 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.747 -9.279 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.667 -9.750 -9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.822 -7.133 -8.890 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.752 -5.729 -9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.095 -6.813 -10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.911 -10.661 -7.260 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.716 -9.501 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.812 -9.023 -6.570 1.00 0.00 H new ATOM 187 N GLY A 12 -2.464 -8.239 -11.746 1.00 0.00 N ATOM 188 CA GLY A 12 -2.311 -8.447 -13.178 1.00 0.00 C ATOM 189 C GLY A 12 -1.580 -9.762 -13.398 1.00 0.00 C ATOM 190 O GLY A 12 -0.412 -9.827 -13.763 1.00 0.00 O ATOM 0 H GLY A 12 -1.884 -8.839 -11.160 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.286 -8.470 -13.664 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.752 -7.624 -13.623 1.00 0.00 H new ATOM 194 N SER A 13 -2.399 -10.792 -13.141 1.00 0.00 N ATOM 195 CA SER A 13 -2.014 -12.176 -13.210 1.00 0.00 C ATOM 196 C SER A 13 -2.993 -12.804 -14.193 1.00 0.00 C ATOM 197 O SER A 13 -2.616 -13.569 -15.073 1.00 0.00 O ATOM 198 CB SER A 13 -2.160 -12.675 -11.744 1.00 0.00 C ATOM 199 OG SER A 13 -1.937 -11.699 -10.643 1.00 0.00 O ATOM 0 H SER A 13 -3.374 -10.662 -12.873 1.00 0.00 H new ATOM 0 HA SER A 13 -1.006 -12.406 -13.556 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.165 -13.082 -11.629 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.463 -13.501 -11.603 1.00 0.00 H new ATOM 0 HG SER A 13 -2.790 -11.502 -10.203 1.00 0.00 H new ATOM 205 N ASP A 14 -4.275 -12.422 -13.985 1.00 0.00 N ATOM 206 CA ASP A 14 -5.335 -12.904 -14.849 1.00 0.00 C ATOM 207 C ASP A 14 -6.454 -11.872 -14.646 1.00 0.00 C ATOM 208 O ASP A 14 -6.202 -10.675 -14.723 1.00 0.00 O ATOM 209 CB ASP A 14 -5.683 -14.376 -14.513 1.00 0.00 C ATOM 210 CG ASP A 14 -6.594 -15.034 -15.570 1.00 0.00 C ATOM 211 OD1 ASP A 14 -6.252 -14.994 -16.752 1.00 0.00 O ATOM 212 OD2 ASP A 14 -7.631 -15.582 -15.200 1.00 0.00 O ATOM 0 H ASP A 14 -4.578 -11.795 -13.240 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.086 -12.965 -15.908 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.761 -14.951 -14.426 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.175 -14.415 -13.541 1.00 0.00 H new ATOM 217 N CYS A 15 -7.687 -12.376 -14.392 1.00 0.00 N ATOM 218 CA CYS A 15 -8.820 -11.500 -14.124 1.00 0.00 C ATOM 219 C CYS A 15 -8.750 -11.317 -12.603 1.00 0.00 C ATOM 220 O CYS A 15 -9.486 -11.924 -11.835 1.00 0.00 O ATOM 221 CB CYS A 15 -10.127 -12.160 -14.589 1.00 0.00 C ATOM 222 SG CYS A 15 -10.421 -13.808 -13.895 1.00 0.00 S ATOM 0 H CYS A 15 -7.906 -13.372 -14.370 1.00 0.00 H new ATOM 0 HA CYS A 15 -8.791 -10.547 -14.652 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.962 -11.512 -14.322 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.116 -12.234 -15.676 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.089 -13.815 -12.638 1.00 0.00 H new ATOM 228 N HIS A 16 -7.780 -10.440 -12.249 1.00 0.00 N ATOM 229 CA HIS A 16 -7.421 -10.109 -10.879 1.00 0.00 C ATOM 230 C HIS A 16 -6.616 -11.341 -10.423 1.00 0.00 C ATOM 231 O HIS A 16 -5.870 -11.915 -11.207 1.00 0.00 O ATOM 232 CB HIS A 16 -8.626 -9.741 -9.986 1.00 0.00 C ATOM 233 CG HIS A 16 -9.437 -8.634 -10.622 1.00 0.00 C ATOM 234 ND1 HIS A 16 -8.987 -7.373 -10.804 1.00 0.00 N ATOM 235 CD2 HIS A 16 -10.750 -8.709 -11.115 1.00 0.00 C ATOM 236 CE1 HIS A 16 -9.995 -6.704 -11.388 1.00 0.00 C ATOM 237 NE2 HIS A 16 -11.073 -7.484 -11.588 1.00 0.00 N ATOM 0 H HIS A 16 -7.220 -9.938 -12.938 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.835 -9.193 -10.800 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.254 -10.618 -9.833 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.275 -9.425 -9.004 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.384 -9.583 -11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.946 -5.661 -11.665 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.958 -7.206 -12.012 1.00 0.00 H new ATOM 245 N ALA A 17 -6.818 -11.705 -9.138 1.00 0.00 N ATOM 246 CA ALA A 17 -6.173 -12.852 -8.504 1.00 0.00 C ATOM 247 C ALA A 17 -6.388 -12.648 -6.996 1.00 0.00 C ATOM 248 O ALA A 17 -5.470 -12.772 -6.195 1.00 0.00 O ATOM 249 CB ALA A 17 -4.676 -13.001 -8.861 1.00 0.00 C ATOM 0 H ALA A 17 -7.444 -11.197 -8.513 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.611 -13.783 -8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.266 -13.874 -8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.570 -13.125 -9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.136 -12.109 -8.543 1.00 0.00 H new ATOM 255 N VAL A 18 -7.664 -12.317 -6.669 1.00 0.00 N ATOM 256 CA VAL A 18 -8.103 -12.071 -5.294 1.00 0.00 C ATOM 257 C VAL A 18 -7.335 -10.877 -4.680 1.00 0.00 C ATOM 258 O VAL A 18 -6.482 -10.259 -5.308 1.00 0.00 O ATOM 259 CB VAL A 18 -8.004 -13.383 -4.436 1.00 0.00 C ATOM 260 CG1 VAL A 18 -8.816 -14.515 -5.137 1.00 0.00 C ATOM 261 CG2 VAL A 18 -6.948 -13.654 -3.331 1.00 0.00 C ATOM 0 H VAL A 18 -8.408 -12.216 -7.360 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.156 -11.788 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.347 -13.151 -3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.751 -15.429 -4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.860 -14.213 -5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.405 -14.696 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.116 -14.642 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.949 -13.611 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.037 -12.899 -2.550 1.00 0.00 H new ATOM 271 N GLY A 19 -7.713 -10.598 -3.412 1.00 0.00 N ATOM 272 CA GLY A 19 -7.094 -9.524 -2.648 1.00 0.00 C ATOM 273 C GLY A 19 -7.893 -8.226 -2.750 1.00 0.00 C ATOM 274 O GLY A 19 -8.531 -7.790 -1.802 1.00 0.00 O ATOM 0 H GLY A 19 -8.441 -11.106 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.013 -9.821 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.080 -9.357 -3.011 1.00 0.00 H new ATOM 278 N ASN A 20 -7.810 -7.662 -3.975 1.00 0.00 N ATOM 279 CA ASN A 20 -8.437 -6.408 -4.377 1.00 0.00 C ATOM 280 C ASN A 20 -9.952 -6.454 -4.146 1.00 0.00 C ATOM 281 O ASN A 20 -10.587 -5.424 -3.956 1.00 0.00 O ATOM 282 CB ASN A 20 -8.100 -6.084 -5.847 1.00 0.00 C ATOM 283 CG ASN A 20 -8.391 -7.261 -6.788 1.00 0.00 C ATOM 284 OD1 ASN A 20 -7.587 -8.171 -6.938 1.00 0.00 O ATOM 285 ND2 ASN A 20 -9.582 -7.176 -7.408 1.00 0.00 N ATOM 0 H ASN A 20 -7.281 -8.094 -4.732 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.036 -5.607 -3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.677 -5.216 -6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.047 -5.813 -5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.871 -7.906 -8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.196 -6.382 -7.227 1.00 0.00 H new ATOM 292 N LYS A 21 -10.486 -7.688 -4.168 1.00 0.00 N ATOM 293 CA LYS A 21 -11.905 -7.942 -3.987 1.00 0.00 C ATOM 294 C LYS A 21 -12.296 -7.428 -2.599 1.00 0.00 C ATOM 295 O LYS A 21 -13.036 -6.464 -2.428 1.00 0.00 O ATOM 296 CB LYS A 21 -12.189 -9.452 -4.186 1.00 0.00 C ATOM 297 CG LYS A 21 -13.678 -9.853 -4.242 1.00 0.00 C ATOM 298 CD LYS A 21 -14.447 -9.637 -2.927 1.00 0.00 C ATOM 299 CE LYS A 21 -15.797 -10.364 -2.874 1.00 0.00 C ATOM 300 NZ LYS A 21 -16.744 -9.890 -3.877 1.00 0.00 N ATOM 0 H LYS A 21 -9.933 -8.533 -4.313 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.512 -7.418 -4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.710 -9.774 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.714 -10.002 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.166 -9.281 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.748 -10.905 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.829 -9.976 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.614 -8.569 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.633 -11.432 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.233 -10.236 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.635 -10.419 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.927 -8.877 -3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.346 -10.036 -4.827 1.00 0.00 H new ATOM 313 N ILE A 22 -11.717 -8.147 -1.628 1.00 0.00 N ATOM 314 CA ILE A 22 -12.018 -7.865 -0.241 1.00 0.00 C ATOM 315 C ILE A 22 -11.204 -6.700 0.273 1.00 0.00 C ATOM 316 O ILE A 22 -11.334 -6.398 1.449 1.00 0.00 O ATOM 317 CB ILE A 22 -11.853 -9.069 0.723 1.00 0.00 C ATOM 318 CG1 ILE A 22 -13.268 -9.475 1.318 1.00 0.00 C ATOM 319 CG2 ILE A 22 -10.606 -9.928 0.274 1.00 0.00 C ATOM 320 CD1 ILE A 22 -13.284 -10.534 2.432 1.00 0.00 C ATOM 0 H ILE A 22 -11.055 -8.908 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.079 -7.616 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.456 -9.024 1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -13.744 -8.573 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.888 -9.838 0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.486 -10.776 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.762 -10.292 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.709 -9.310 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -14.312 -10.716 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.849 -11.461 2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.703 -10.177 3.282 1.00 0.00 H new ATOM 332 N LEU A 23 -10.385 -6.036 -0.576 1.00 0.00 N ATOM 333 CA LEU A 23 -9.624 -4.926 -0.014 1.00 0.00 C ATOM 334 C LEU A 23 -10.502 -3.692 -0.069 1.00 0.00 C ATOM 335 O LEU A 23 -10.502 -2.895 0.862 1.00 0.00 O ATOM 336 CB LEU A 23 -8.216 -4.734 -0.619 1.00 0.00 C ATOM 337 CG LEU A 23 -7.151 -5.180 0.404 1.00 0.00 C ATOM 338 CD1 LEU A 23 -6.017 -5.932 -0.398 1.00 0.00 C ATOM 339 CD2 LEU A 23 -7.176 -4.072 1.531 1.00 0.00 C ATOM 0 H LEU A 23 -10.247 -6.234 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.382 -5.153 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.120 -5.315 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.063 -3.689 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.170 -5.994 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.242 -6.264 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.444 -6.796 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.582 -5.255 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.443 -4.318 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.933 -3.103 1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.169 -4.030 1.978 1.00 0.00 H new ATOM 351 N ASP A 24 -11.263 -3.571 -1.177 1.00 0.00 N ATOM 352 CA ASP A 24 -12.163 -2.437 -1.250 1.00 0.00 C ATOM 353 C ASP A 24 -13.390 -2.796 -0.387 1.00 0.00 C ATOM 354 O ASP A 24 -14.216 -1.948 -0.075 1.00 0.00 O ATOM 355 CB ASP A 24 -12.528 -2.096 -2.703 1.00 0.00 C ATOM 356 CG ASP A 24 -11.272 -1.645 -3.476 1.00 0.00 C ATOM 357 OD1 ASP A 24 -10.890 -0.481 -3.355 1.00 0.00 O ATOM 358 OD2 ASP A 24 -10.687 -2.463 -4.185 1.00 0.00 O ATOM 0 H ASP A 24 -11.267 -4.205 -1.976 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.692 -1.532 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.970 -2.966 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.278 -1.306 -2.721 1.00 0.00 H new ATOM 363 N HIS A 25 -13.472 -4.084 0.013 1.00 0.00 N ATOM 364 CA HIS A 25 -14.605 -4.462 0.845 1.00 0.00 C ATOM 365 C HIS A 25 -14.260 -4.035 2.272 1.00 0.00 C ATOM 366 O HIS A 25 -15.094 -3.542 3.020 1.00 0.00 O ATOM 367 CB HIS A 25 -14.877 -5.971 0.771 1.00 0.00 C ATOM 368 CG HIS A 25 -16.165 -6.346 1.474 1.00 0.00 C ATOM 369 ND1 HIS A 25 -17.182 -5.493 1.729 1.00 0.00 N ATOM 370 CD2 HIS A 25 -16.515 -7.609 1.980 1.00 0.00 C ATOM 371 CE1 HIS A 25 -18.116 -6.215 2.369 1.00 0.00 C ATOM 372 NE2 HIS A 25 -17.742 -7.496 2.536 1.00 0.00 N ATOM 0 H HIS A 25 -12.810 -4.826 -0.214 1.00 0.00 H new ATOM 0 HA HIS A 25 -15.516 -3.973 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.930 -6.280 -0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -14.046 -6.513 1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -15.914 -8.505 1.933 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -19.059 -5.813 2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -18.277 -8.235 2.991 1.00 0.00 H new ATOM 380 N SER A 26 -12.962 -4.241 2.566 1.00 0.00 N ATOM 381 CA SER A 26 -12.394 -3.956 3.865 1.00 0.00 C ATOM 382 C SER A 26 -12.315 -2.433 4.080 1.00 0.00 C ATOM 383 O SER A 26 -12.145 -2.001 5.214 1.00 0.00 O ATOM 384 CB SER A 26 -11.022 -4.671 4.072 1.00 0.00 C ATOM 385 OG SER A 26 -10.953 -6.155 4.040 1.00 0.00 O ATOM 0 H SER A 26 -12.289 -4.612 1.895 1.00 0.00 H new ATOM 0 HA SER A 26 -13.052 -4.365 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.341 -4.297 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.628 -4.347 5.035 1.00 0.00 H new ATOM 0 HG SER A 26 -11.310 -6.481 3.187 1.00 0.00 H new ATOM 391 N PHE A 27 -12.464 -1.630 2.996 1.00 0.00 N ATOM 392 CA PHE A 27 -12.409 -0.175 3.185 1.00 0.00 C ATOM 393 C PHE A 27 -13.678 0.228 3.935 1.00 0.00 C ATOM 394 O PHE A 27 -13.684 1.037 4.854 1.00 0.00 O ATOM 395 CB PHE A 27 -12.174 0.674 1.887 1.00 0.00 C ATOM 396 CG PHE A 27 -13.384 1.147 1.092 1.00 0.00 C ATOM 397 CD1 PHE A 27 -14.344 2.001 1.637 1.00 0.00 C ATOM 398 CD2 PHE A 27 -13.562 0.737 -0.224 1.00 0.00 C ATOM 399 CE1 PHE A 27 -15.471 2.372 0.916 1.00 0.00 C ATOM 400 CE2 PHE A 27 -14.686 1.102 -0.953 1.00 0.00 C ATOM 401 CZ PHE A 27 -15.647 1.918 -0.381 1.00 0.00 C ATOM 0 H PHE A 27 -12.614 -1.949 2.039 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.515 0.057 3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.599 1.556 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.548 0.086 1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.208 2.381 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -12.808 0.120 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -16.212 3.016 1.367 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -14.811 0.749 -1.966 1.00 0.00 H new ATOM 0 HZ PHE A 27 -16.527 2.198 -0.941 1.00 0.00 H new ATOM 411 N THR A 28 -14.736 -0.433 3.443 1.00 0.00 N ATOM 412 CA THR A 28 -16.101 -0.232 3.866 1.00 0.00 C ATOM 413 C THR A 28 -16.366 -0.787 5.257 1.00 0.00 C ATOM 414 O THR A 28 -17.178 -0.277 6.019 1.00 0.00 O ATOM 415 CB THR A 28 -16.969 -0.835 2.712 1.00 0.00 C ATOM 416 OG1 THR A 28 -16.308 -1.122 1.430 1.00 0.00 O ATOM 417 CG2 THR A 28 -18.265 -0.016 2.514 1.00 0.00 C ATOM 0 H THR A 28 -14.646 -1.143 2.716 1.00 0.00 H new ATOM 0 HA THR A 28 -16.357 0.819 4.003 1.00 0.00 H new ATOM 0 HB THR A 28 -17.199 -1.836 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.124 -0.281 0.961 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.852 -0.454 1.707 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.848 -0.029 3.435 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.010 1.013 2.260 1.00 0.00 H new ATOM 425 N ASN A 29 -15.622 -1.848 5.516 1.00 0.00 N ATOM 426 CA ASN A 29 -15.702 -2.610 6.733 1.00 0.00 C ATOM 427 C ASN A 29 -14.780 -2.009 7.786 1.00 0.00 C ATOM 428 O ASN A 29 -14.740 -2.513 8.903 1.00 0.00 O ATOM 429 CB ASN A 29 -15.374 -4.098 6.525 1.00 0.00 C ATOM 430 CG ASN A 29 -16.258 -4.757 5.459 1.00 0.00 C ATOM 431 OD1 ASN A 29 -17.386 -4.353 5.202 1.00 0.00 O ATOM 432 ND2 ASN A 29 -15.654 -5.796 4.859 1.00 0.00 N ATOM 0 H ASN A 29 -14.928 -2.207 4.861 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.735 -2.559 7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.328 -4.198 6.236 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.495 -4.628 7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.139 -6.315 4.127 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.710 -6.066 5.135 1.00 0.00 H new ATOM 439 N ALA A 30 -14.045 -0.938 7.418 1.00 0.00 N ATOM 440 CA ALA A 30 -13.149 -0.306 8.343 1.00 0.00 C ATOM 441 C ALA A 30 -13.733 1.063 8.680 1.00 0.00 C ATOM 442 O ALA A 30 -13.266 1.732 9.593 1.00 0.00 O ATOM 443 CB ALA A 30 -11.755 -0.186 7.716 1.00 0.00 C ATOM 0 H ALA A 30 -14.070 -0.514 6.491 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.042 -0.892 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.078 0.295 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.379 -1.180 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.815 0.412 6.807 1.00 0.00 H new ATOM 449 N GLY A 31 -14.776 1.445 7.905 1.00 0.00 N ATOM 450 CA GLY A 31 -15.389 2.752 8.065 1.00 0.00 C ATOM 451 C GLY A 31 -14.372 3.838 7.668 1.00 0.00 C ATOM 452 O GLY A 31 -14.456 4.984 8.091 1.00 0.00 O ATOM 0 H GLY A 31 -15.194 0.865 7.178 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.281 2.827 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.707 2.894 9.098 1.00 0.00 H new ATOM 456 N PHE A 32 -13.407 3.375 6.831 1.00 0.00 N ATOM 457 CA PHE A 32 -12.327 4.243 6.378 1.00 0.00 C ATOM 458 C PHE A 32 -12.711 4.703 4.976 1.00 0.00 C ATOM 459 O PHE A 32 -13.632 4.203 4.342 1.00 0.00 O ATOM 460 CB PHE A 32 -11.000 3.456 6.348 1.00 0.00 C ATOM 461 CG PHE A 32 -10.235 3.411 7.652 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.829 3.647 8.891 1.00 0.00 C ATOM 463 CD2 PHE A 32 -8.866 3.153 7.614 1.00 0.00 C ATOM 464 CE1 PHE A 32 -10.075 3.628 10.056 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.110 3.135 8.774 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.713 3.376 9.997 1.00 0.00 C ATOM 0 H PHE A 32 -13.368 2.422 6.471 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.186 5.095 7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.212 2.433 6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.356 3.894 5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.889 3.847 8.945 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.387 2.964 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.549 3.810 11.009 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.050 2.933 8.725 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.124 3.368 10.902 1.00 0.00 H new ATOM 476 N ASN A 33 -11.910 5.707 4.555 1.00 0.00 N ATOM 477 CA ASN A 33 -12.066 6.325 3.252 1.00 0.00 C ATOM 478 C ASN A 33 -11.431 5.355 2.253 1.00 0.00 C ATOM 479 O ASN A 33 -10.484 4.635 2.549 1.00 0.00 O ATOM 480 CB ASN A 33 -11.363 7.695 3.205 1.00 0.00 C ATOM 481 CG ASN A 33 -11.949 8.689 4.223 1.00 0.00 C ATOM 482 OD1 ASN A 33 -12.949 8.435 4.884 1.00 0.00 O ATOM 483 ND2 ASN A 33 -11.251 9.836 4.298 1.00 0.00 N ATOM 0 H ASN A 33 -11.150 6.096 5.113 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.116 6.508 3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.299 7.562 3.402 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.451 8.112 2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.546 10.571 4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -10.427 9.971 3.712 1.00 0.00 H new ATOM 490 N VAL A 34 -12.040 5.404 1.052 1.00 0.00 N ATOM 491 CA VAL A 34 -11.629 4.581 -0.077 1.00 0.00 C ATOM 492 C VAL A 34 -10.767 5.454 -0.997 1.00 0.00 C ATOM 493 O VAL A 34 -11.105 6.582 -1.338 1.00 0.00 O ATOM 494 CB VAL A 34 -12.839 3.980 -0.852 1.00 0.00 C ATOM 495 CG1 VAL A 34 -14.047 5.006 -0.796 1.00 0.00 C ATOM 496 CG2 VAL A 34 -12.196 3.072 -1.983 1.00 0.00 C ATOM 0 H VAL A 34 -12.829 6.018 0.849 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.062 3.726 0.291 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.545 3.207 -0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -14.899 4.594 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.326 5.183 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.746 5.947 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -12.988 2.612 -2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.570 3.686 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.588 2.293 -1.523 1.00 0.00 H new ATOM 506 N VAL A 35 -9.634 4.824 -1.354 1.00 0.00 N ATOM 507 CA VAL A 35 -8.637 5.395 -2.241 1.00 0.00 C ATOM 508 C VAL A 35 -8.385 4.330 -3.310 1.00 0.00 C ATOM 509 O VAL A 35 -7.374 3.638 -3.334 1.00 0.00 O ATOM 510 CB VAL A 35 -7.369 5.762 -1.412 1.00 0.00 C ATOM 511 CG1 VAL A 35 -6.312 6.395 -2.359 1.00 0.00 C ATOM 512 CG2 VAL A 35 -7.469 6.177 0.062 1.00 0.00 C ATOM 0 H VAL A 35 -9.393 3.890 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.953 6.321 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.951 4.830 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.421 6.655 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.047 5.680 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.725 7.294 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.472 6.389 0.449 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.089 7.070 0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.917 5.368 0.638 1.00 0.00 H new ATOM 522 N ASN A 36 -9.397 4.239 -4.195 1.00 0.00 N ATOM 523 CA ASN A 36 -9.273 3.222 -5.239 1.00 0.00 C ATOM 524 C ASN A 36 -8.496 3.850 -6.412 1.00 0.00 C ATOM 525 O ASN A 36 -8.896 4.865 -6.968 1.00 0.00 O ATOM 526 CB ASN A 36 -10.667 2.717 -5.660 1.00 0.00 C ATOM 527 CG ASN A 36 -10.560 1.515 -6.614 1.00 0.00 C ATOM 528 OD1 ASN A 36 -10.379 0.378 -6.195 1.00 0.00 O ATOM 529 ND2 ASN A 36 -10.682 1.844 -7.912 1.00 0.00 N ATOM 0 H ASN A 36 -10.242 4.810 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.728 2.350 -4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.236 2.432 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.217 3.523 -6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.625 1.121 -8.629 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.832 2.817 -8.180 1.00 0.00 H new ATOM 536 N ILE A 37 -7.371 3.165 -6.747 1.00 0.00 N ATOM 537 CA ILE A 37 -6.515 3.582 -7.860 1.00 0.00 C ATOM 538 C ILE A 37 -6.910 2.703 -9.066 1.00 0.00 C ATOM 539 O ILE A 37 -6.764 3.105 -10.214 1.00 0.00 O ATOM 540 CB ILE A 37 -5.001 3.487 -7.491 1.00 0.00 C ATOM 541 CG1 ILE A 37 -4.652 4.551 -6.377 1.00 0.00 C ATOM 542 CG2 ILE A 37 -4.479 2.016 -7.717 1.00 0.00 C ATOM 543 CD1 ILE A 37 -3.176 4.635 -5.913 1.00 0.00 C ATOM 0 H ILE A 37 -7.048 2.330 -6.259 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.664 4.633 -8.107 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.196 3.869 -8.119 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.946 5.534 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.269 4.340 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.422 1.961 -7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.044 1.329 -7.087 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.610 1.740 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.079 5.405 -5.147 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.869 3.673 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.541 4.886 -6.763 1.00 0.00 H new ATOM 555 N GLY A 38 -7.411 1.489 -8.729 1.00 0.00 N ATOM 556 CA GLY A 38 -7.819 0.510 -9.724 1.00 0.00 C ATOM 557 C GLY A 38 -6.635 -0.418 -10.014 1.00 0.00 C ATOM 558 O GLY A 38 -5.879 -0.781 -9.122 1.00 0.00 O ATOM 0 H GLY A 38 -7.536 1.179 -7.765 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.670 -0.066 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.139 1.011 -10.638 1.00 0.00 H new ATOM 562 N VAL A 39 -6.512 -0.770 -11.310 1.00 0.00 N ATOM 563 CA VAL A 39 -5.416 -1.636 -11.735 1.00 0.00 C ATOM 564 C VAL A 39 -4.164 -0.795 -12.056 1.00 0.00 C ATOM 565 O VAL A 39 -3.066 -1.321 -12.184 1.00 0.00 O ATOM 566 CB VAL A 39 -5.871 -2.485 -12.966 1.00 0.00 C ATOM 567 CG1 VAL A 39 -6.918 -3.536 -12.478 1.00 0.00 C ATOM 568 CG2 VAL A 39 -5.793 -1.988 -14.431 1.00 0.00 C ATOM 0 H VAL A 39 -7.143 -0.473 -12.055 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.152 -2.319 -10.927 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.997 -2.992 -13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.249 -4.140 -13.323 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.463 -4.182 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.774 -3.021 -12.043 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.169 -2.763 -15.099 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.398 -1.088 -14.543 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.757 -1.762 -14.684 1.00 0.00 H new ATOM 578 N LEU A 40 -4.400 0.533 -12.169 1.00 0.00 N ATOM 579 CA LEU A 40 -3.339 1.477 -12.461 1.00 0.00 C ATOM 580 C LEU A 40 -2.818 1.931 -11.110 1.00 0.00 C ATOM 581 O LEU A 40 -3.386 2.810 -10.476 1.00 0.00 O ATOM 582 CB LEU A 40 -3.897 2.688 -13.229 1.00 0.00 C ATOM 583 CG LEU A 40 -4.413 2.331 -14.657 1.00 0.00 C ATOM 584 CD1 LEU A 40 -5.208 3.551 -15.210 1.00 0.00 C ATOM 585 CD2 LEU A 40 -3.767 1.258 -15.563 1.00 0.00 C ATOM 0 H LEU A 40 -5.321 0.957 -12.059 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.560 1.026 -13.076 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.713 3.128 -12.655 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.119 3.447 -13.311 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.065 1.461 -14.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.578 3.322 -16.209 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.050 3.765 -14.552 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.553 4.421 -15.257 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.312 1.201 -16.505 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.729 1.525 -15.760 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.803 0.290 -15.063 1.00 0.00 H new ATOM 597 N SER A 41 -1.694 1.285 -10.733 1.00 0.00 N ATOM 598 CA SER A 41 -1.009 1.584 -9.488 1.00 0.00 C ATOM 599 C SER A 41 -0.148 2.807 -9.821 1.00 0.00 C ATOM 600 O SER A 41 1.046 2.728 -10.088 1.00 0.00 O ATOM 601 CB SER A 41 -0.166 0.343 -9.078 1.00 0.00 C ATOM 602 OG SER A 41 0.688 -0.314 -10.098 1.00 0.00 O ATOM 0 H SER A 41 -1.251 0.552 -11.287 1.00 0.00 H new ATOM 0 HA SER A 41 -1.666 1.798 -8.645 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.479 0.641 -8.251 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.854 -0.409 -8.691 1.00 0.00 H new ATOM 0 HG SER A 41 1.578 0.096 -10.093 1.00 0.00 H new ATOM 608 N SER A 42 -0.883 3.938 -9.781 1.00 0.00 N ATOM 609 CA SER A 42 -0.383 5.262 -10.077 1.00 0.00 C ATOM 610 C SER A 42 0.464 5.658 -8.862 1.00 0.00 C ATOM 611 O SER A 42 -0.014 5.754 -7.739 1.00 0.00 O ATOM 612 CB SER A 42 -1.618 6.176 -10.360 1.00 0.00 C ATOM 613 OG SER A 42 -2.986 5.678 -10.054 1.00 0.00 O ATOM 0 H SER A 42 -1.872 3.935 -9.531 1.00 0.00 H new ATOM 0 HA SER A 42 0.250 5.340 -10.961 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.475 7.100 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.595 6.437 -11.418 1.00 0.00 H new ATOM 0 HG SER A 42 -3.644 6.366 -10.286 1.00 0.00 H new ATOM 619 N GLN A 43 1.761 5.867 -9.182 1.00 0.00 N ATOM 620 CA GLN A 43 2.749 6.209 -8.178 1.00 0.00 C ATOM 621 C GLN A 43 2.782 7.731 -8.063 1.00 0.00 C ATOM 622 O GLN A 43 2.084 8.303 -7.241 1.00 0.00 O ATOM 623 CB GLN A 43 4.103 5.560 -8.541 1.00 0.00 C ATOM 624 CG GLN A 43 5.293 5.958 -7.644 1.00 0.00 C ATOM 625 CD GLN A 43 4.968 5.981 -6.140 1.00 0.00 C ATOM 626 OE1 GLN A 43 4.393 4.857 -5.678 1.00 0.00 O flip ATOM 627 NE2 GLN A 43 5.232 6.958 -5.450 1.00 0.00 N flip ATOM 0 H GLN A 43 2.131 5.801 -10.130 1.00 0.00 H new ATOM 0 HA GLN A 43 2.499 5.815 -7.193 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.988 4.477 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.345 5.819 -9.572 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.113 5.261 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.645 6.945 -7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.669 7.777 -5.872 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.014 6.952 -4.453 1.00 0.00 H new ATOM 636 N GLU A 44 3.618 8.351 -8.925 1.00 0.00 N ATOM 637 CA GLU A 44 3.829 9.793 -8.934 1.00 0.00 C ATOM 638 C GLU A 44 2.523 10.528 -9.281 1.00 0.00 C ATOM 639 O GLU A 44 2.395 11.716 -9.011 1.00 0.00 O ATOM 640 CB GLU A 44 4.966 10.150 -9.911 1.00 0.00 C ATOM 641 CG GLU A 44 4.674 9.754 -11.370 1.00 0.00 C ATOM 642 CD GLU A 44 5.863 10.114 -12.278 1.00 0.00 C ATOM 643 OE1 GLU A 44 6.754 9.281 -12.442 1.00 0.00 O ATOM 644 OE2 GLU A 44 5.884 11.222 -12.813 1.00 0.00 O ATOM 0 H GLU A 44 4.161 7.853 -9.631 1.00 0.00 H new ATOM 0 HA GLU A 44 4.128 10.120 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.149 11.223 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.881 9.656 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.475 8.684 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.776 10.265 -11.718 1.00 0.00 H new ATOM 651 N ASP A 45 1.562 9.794 -9.881 1.00 0.00 N ATOM 652 CA ASP A 45 0.307 10.420 -10.249 1.00 0.00 C ATOM 653 C ASP A 45 -0.596 10.373 -9.024 1.00 0.00 C ATOM 654 O ASP A 45 -1.266 11.358 -8.737 1.00 0.00 O ATOM 655 CB ASP A 45 -0.284 9.702 -11.479 1.00 0.00 C ATOM 656 CG ASP A 45 -1.655 10.275 -11.885 1.00 0.00 C ATOM 657 OD1 ASP A 45 -1.688 11.328 -12.521 1.00 0.00 O ATOM 658 OD2 ASP A 45 -2.672 9.663 -11.559 1.00 0.00 O ATOM 0 H ASP A 45 1.639 8.803 -10.108 1.00 0.00 H new ATOM 0 HA ASP A 45 0.431 11.463 -10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.408 9.791 -12.317 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.386 8.639 -11.262 1.00 0.00 H new ATOM 663 N PHE A 46 -0.591 9.220 -8.308 1.00 0.00 N ATOM 664 CA PHE A 46 -1.458 9.166 -7.142 1.00 0.00 C ATOM 665 C PHE A 46 -0.705 9.748 -5.935 1.00 0.00 C ATOM 666 O PHE A 46 -1.223 9.716 -4.829 1.00 0.00 O ATOM 667 CB PHE A 46 -2.095 7.787 -6.885 1.00 0.00 C ATOM 668 CG PHE A 46 -3.519 7.976 -6.434 1.00 0.00 C ATOM 669 CD1 PHE A 46 -3.821 8.189 -5.093 1.00 0.00 C ATOM 670 CD2 PHE A 46 -4.551 7.997 -7.370 1.00 0.00 C ATOM 671 CE1 PHE A 46 -5.123 8.450 -4.700 1.00 0.00 C ATOM 672 CE2 PHE A 46 -5.860 8.240 -6.974 1.00 0.00 C ATOM 673 CZ PHE A 46 -6.147 8.470 -5.635 1.00 0.00 C ATOM 0 H PHE A 46 -0.038 8.386 -8.507 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.331 9.788 -7.337 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.065 7.184 -7.793 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.529 7.247 -6.126 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.035 8.151 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.331 7.823 -8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.342 8.639 -3.660 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.654 8.250 -7.707 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.163 8.664 -5.323 1.00 0.00 H new ATOM 683 N ILE A 47 0.521 10.278 -6.171 1.00 0.00 N ATOM 684 CA ILE A 47 1.262 10.917 -5.092 1.00 0.00 C ATOM 685 C ILE A 47 0.725 12.363 -5.087 1.00 0.00 C ATOM 686 O ILE A 47 0.718 13.030 -4.060 1.00 0.00 O ATOM 687 CB ILE A 47 2.813 10.736 -5.238 1.00 0.00 C ATOM 688 CG1 ILE A 47 3.463 9.698 -4.286 1.00 0.00 C ATOM 689 CG2 ILE A 47 3.474 11.976 -5.917 1.00 0.00 C ATOM 690 CD1 ILE A 47 2.788 8.312 -4.170 1.00 0.00 C ATOM 0 H ILE A 47 0.993 10.270 -7.075 1.00 0.00 H new ATOM 0 HA ILE A 47 1.106 10.465 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 47 3.221 10.066 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.493 9.544 -4.609 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.504 10.136 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.549 11.815 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.049 12.116 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.287 12.864 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.349 7.691 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.767 8.434 -3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.771 7.832 -5.149 1.00 0.00 H new ATOM 702 N ASN A 48 0.249 12.794 -6.292 1.00 0.00 N ATOM 703 CA ASN A 48 -0.345 14.115 -6.407 1.00 0.00 C ATOM 704 C ASN A 48 -1.776 13.985 -5.840 1.00 0.00 C ATOM 705 O ASN A 48 -2.311 14.928 -5.267 1.00 0.00 O ATOM 706 CB ASN A 48 -0.322 14.574 -7.877 1.00 0.00 C ATOM 707 CG ASN A 48 -0.879 15.997 -8.036 1.00 0.00 C ATOM 708 OD1 ASN A 48 -1.980 16.206 -8.528 1.00 0.00 O ATOM 709 ND2 ASN A 48 -0.044 16.951 -7.584 1.00 0.00 N ATOM 0 H ASN A 48 0.273 12.252 -7.155 1.00 0.00 H new ATOM 0 HA ASN A 48 0.204 14.875 -5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.700 14.539 -8.253 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.909 13.884 -8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.314 17.933 -7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.859 16.692 -7.187 1.00 0.00 H new ATOM 716 N ALA A 49 -2.361 12.769 -6.010 1.00 0.00 N ATOM 717 CA ALA A 49 -3.700 12.537 -5.495 1.00 0.00 C ATOM 718 C ALA A 49 -3.562 11.941 -4.079 1.00 0.00 C ATOM 719 O ALA A 49 -4.535 11.461 -3.515 1.00 0.00 O ATOM 720 CB ALA A 49 -4.515 11.648 -6.439 1.00 0.00 C ATOM 0 H ALA A 49 -1.931 11.974 -6.483 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.255 13.473 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.511 11.494 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.598 12.131 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.017 10.685 -6.553 1.00 0.00 H new ATOM 726 N ALA A 50 -2.320 11.971 -3.532 1.00 0.00 N ATOM 727 CA ALA A 50 -2.101 11.498 -2.172 1.00 0.00 C ATOM 728 C ALA A 50 -2.300 12.734 -1.298 1.00 0.00 C ATOM 729 O ALA A 50 -2.693 12.643 -0.149 1.00 0.00 O ATOM 730 CB ALA A 50 -0.722 10.884 -1.938 1.00 0.00 C ATOM 0 H ALA A 50 -1.485 12.311 -4.010 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.791 10.686 -1.941 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.640 10.557 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.588 10.028 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.047 11.628 -2.146 1.00 0.00 H new ATOM 736 N ILE A 51 -2.019 13.908 -1.903 1.00 0.00 N ATOM 737 CA ILE A 51 -2.215 15.167 -1.205 1.00 0.00 C ATOM 738 C ILE A 51 -3.743 15.294 -1.031 1.00 0.00 C ATOM 739 O ILE A 51 -4.243 15.747 -0.008 1.00 0.00 O ATOM 740 CB ILE A 51 -1.623 16.340 -2.053 1.00 0.00 C ATOM 741 CG1 ILE A 51 -0.380 16.016 -2.909 1.00 0.00 C ATOM 742 CG2 ILE A 51 -2.017 17.702 -1.393 1.00 0.00 C ATOM 743 CD1 ILE A 51 0.230 17.190 -3.703 1.00 0.00 C ATOM 0 H ILE A 51 -1.663 13.996 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.709 15.203 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.042 16.554 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.390 15.610 -2.253 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.646 15.228 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.607 18.523 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.103 17.788 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.616 17.745 -0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.096 16.839 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.513 17.587 -4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.539 17.975 -3.012 1.00 0.00 H new ATOM 755 N GLU A 52 -4.425 14.823 -2.102 1.00 0.00 N ATOM 756 CA GLU A 52 -5.870 14.819 -2.202 1.00 0.00 C ATOM 757 C GLU A 52 -6.483 13.959 -1.069 1.00 0.00 C ATOM 758 O GLU A 52 -7.079 14.506 -0.149 1.00 0.00 O ATOM 759 CB GLU A 52 -6.299 14.339 -3.602 1.00 0.00 C ATOM 760 CG GLU A 52 -7.817 14.371 -3.832 1.00 0.00 C ATOM 761 CD GLU A 52 -8.157 13.803 -5.221 1.00 0.00 C ATOM 762 OE1 GLU A 52 -8.197 12.581 -5.362 1.00 0.00 O ATOM 763 OE2 GLU A 52 -8.375 14.586 -6.145 1.00 0.00 O ATOM 0 H GLU A 52 -3.962 14.433 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.250 15.833 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.814 14.962 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.940 13.321 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.321 13.790 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.183 15.394 -3.750 1.00 0.00 H new ATOM 770 N THR A 53 -6.328 12.609 -1.167 1.00 0.00 N ATOM 771 CA THR A 53 -6.949 11.715 -0.196 1.00 0.00 C ATOM 772 C THR A 53 -6.191 11.765 1.125 1.00 0.00 C ATOM 773 O THR A 53 -6.735 12.162 2.148 1.00 0.00 O ATOM 774 CB THR A 53 -7.173 10.247 -0.704 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.218 9.194 -0.356 1.00 0.00 O ATOM 776 CG2 THR A 53 -7.533 10.228 -2.211 1.00 0.00 C ATOM 0 H THR A 53 -5.789 12.142 -1.896 1.00 0.00 H new ATOM 0 HA THR A 53 -7.960 12.090 -0.037 1.00 0.00 H new ATOM 0 HB THR A 53 -8.018 9.941 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.836 8.815 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.683 9.199 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.449 10.797 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.721 10.675 -2.785 1.00 0.00 H new ATOM 784 N LYS A 54 -4.928 11.312 1.016 1.00 0.00 N ATOM 785 CA LYS A 54 -3.958 11.218 2.106 1.00 0.00 C ATOM 786 C LYS A 54 -3.930 9.754 2.535 1.00 0.00 C ATOM 787 O LYS A 54 -4.372 9.388 3.616 1.00 0.00 O ATOM 788 CB LYS A 54 -4.210 12.207 3.266 1.00 0.00 C ATOM 789 CG LYS A 54 -2.999 12.424 4.184 1.00 0.00 C ATOM 790 CD LYS A 54 -1.779 13.058 3.491 1.00 0.00 C ATOM 791 CE LYS A 54 -2.080 14.387 2.789 1.00 0.00 C ATOM 792 NZ LYS A 54 -0.867 15.018 2.284 1.00 0.00 N ATOM 0 H LYS A 54 -4.547 10.990 0.126 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.973 11.529 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.513 13.168 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.044 11.842 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.299 13.060 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.703 11.464 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.997 13.220 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.384 12.354 2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.771 14.214 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.578 15.062 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.111 15.914 1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.218 15.206 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.405 14.385 1.600 1.00 0.00 H new ATOM 805 N ALA A 55 -3.336 8.959 1.612 1.00 0.00 N ATOM 806 CA ALA A 55 -3.149 7.524 1.733 1.00 0.00 C ATOM 807 C ALA A 55 -2.373 7.270 3.029 1.00 0.00 C ATOM 808 O ALA A 55 -1.272 7.769 3.219 1.00 0.00 O ATOM 809 CB ALA A 55 -2.330 7.017 0.535 1.00 0.00 C ATOM 0 H ALA A 55 -2.966 9.330 0.737 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.108 7.006 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.187 5.940 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.862 7.239 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.359 7.512 0.523 1.00 0.00 H new ATOM 815 N ASP A 56 -3.018 6.462 3.898 1.00 0.00 N ATOM 816 CA ASP A 56 -2.415 6.120 5.174 1.00 0.00 C ATOM 817 C ASP A 56 -1.708 4.778 4.966 1.00 0.00 C ATOM 818 O ASP A 56 -0.501 4.674 5.152 1.00 0.00 O ATOM 819 CB ASP A 56 -3.487 6.118 6.281 1.00 0.00 C ATOM 820 CG ASP A 56 -3.031 5.473 7.609 1.00 0.00 C ATOM 821 OD1 ASP A 56 -1.850 5.561 7.945 1.00 0.00 O ATOM 822 OD2 ASP A 56 -3.868 4.880 8.288 1.00 0.00 O ATOM 0 H ASP A 56 -3.936 6.049 3.732 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.678 6.849 5.510 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.792 7.146 6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.367 5.588 5.917 1.00 0.00 H new ATOM 827 N LEU A 57 -2.523 3.774 4.574 1.00 0.00 N ATOM 828 CA LEU A 57 -1.990 2.437 4.364 1.00 0.00 C ATOM 829 C LEU A 57 -2.413 2.012 2.957 1.00 0.00 C ATOM 830 O LEU A 57 -3.584 2.019 2.607 1.00 0.00 O ATOM 831 CB LEU A 57 -2.461 1.509 5.495 1.00 0.00 C ATOM 832 CG LEU A 57 -4.008 1.299 5.590 1.00 0.00 C ATOM 833 CD1 LEU A 57 -4.316 -0.216 5.427 1.00 0.00 C ATOM 834 CD2 LEU A 57 -4.952 2.274 6.331 1.00 0.00 C ATOM 0 H LEU A 57 -3.524 3.872 4.404 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.902 2.394 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.987 0.536 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.107 1.912 6.444 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.478 1.846 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.392 -0.377 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.955 -0.558 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.817 -0.776 6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.978 1.914 6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.663 2.333 7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.881 3.263 5.879 1.00 0.00 H new ATOM 846 N ILE A 58 -1.376 1.642 2.171 1.00 0.00 N ATOM 847 CA ILE A 58 -1.597 1.221 0.793 1.00 0.00 C ATOM 848 C ILE A 58 -1.671 -0.306 0.816 1.00 0.00 C ATOM 849 O ILE A 58 -1.333 -0.963 1.794 1.00 0.00 O ATOM 850 CB ILE A 58 -0.488 1.805 -0.138 1.00 0.00 C ATOM 851 CG1 ILE A 58 -0.435 3.384 0.007 1.00 0.00 C ATOM 852 CG2 ILE A 58 0.666 0.740 -0.352 1.00 0.00 C ATOM 853 CD1 ILE A 58 0.563 4.106 -0.918 1.00 0.00 C ATOM 0 H ILE A 58 -0.401 1.630 2.471 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.528 1.605 0.376 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.588 1.904 -1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.432 3.782 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.187 3.628 1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.433 1.160 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.108 0.484 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.252 -0.158 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.517 5.180 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.572 3.747 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.307 3.903 -1.958 1.00 0.00 H new ATOM 865 N CYS A 59 -2.131 -0.806 -0.351 1.00 0.00 N ATOM 866 CA CYS A 59 -2.255 -2.232 -0.552 1.00 0.00 C ATOM 867 C CYS A 59 -2.020 -2.470 -2.038 1.00 0.00 C ATOM 868 O CYS A 59 -2.714 -1.961 -2.907 1.00 0.00 O ATOM 869 CB CYS A 59 -3.619 -2.780 -0.111 1.00 0.00 C ATOM 870 SG CYS A 59 -3.826 -2.683 1.677 1.00 0.00 S ATOM 0 H CYS A 59 -2.415 -0.236 -1.148 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.528 -2.762 0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.414 -2.217 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.717 -3.817 -0.434 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.847 -1.999 2.191 1.00 0.00 H new ATOM 876 N VAL A 60 -0.976 -3.295 -2.239 1.00 0.00 N ATOM 877 CA VAL A 60 -0.553 -3.758 -3.549 1.00 0.00 C ATOM 878 C VAL A 60 -1.162 -5.152 -3.610 1.00 0.00 C ATOM 879 O VAL A 60 -1.070 -5.902 -2.647 1.00 0.00 O ATOM 880 CB VAL A 60 1.007 -3.764 -3.598 1.00 0.00 C ATOM 881 CG1 VAL A 60 1.510 -4.632 -4.798 1.00 0.00 C ATOM 882 CG2 VAL A 60 1.798 -2.592 -2.973 1.00 0.00 C ATOM 0 H VAL A 60 -0.402 -3.657 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.867 -3.146 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 60 1.434 -4.295 -2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.600 -4.627 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.154 -5.656 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.127 -4.219 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.867 -2.765 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.520 -1.661 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.566 -2.522 -1.910 1.00 0.00 H new ATOM 892 N SER A 61 -1.808 -5.450 -4.756 1.00 0.00 N ATOM 893 CA SER A 61 -2.454 -6.736 -4.849 1.00 0.00 C ATOM 894 C SER A 61 -1.786 -7.428 -6.012 1.00 0.00 C ATOM 895 O SER A 61 -2.154 -7.196 -7.147 1.00 0.00 O ATOM 896 CB SER A 61 -3.986 -6.511 -5.043 1.00 0.00 C ATOM 897 OG SER A 61 -4.474 -5.505 -6.018 1.00 0.00 O ATOM 0 H SER A 61 -1.885 -4.846 -5.574 1.00 0.00 H new ATOM 0 HA SER A 61 -2.356 -7.356 -3.958 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.421 -7.470 -5.323 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.400 -6.246 -4.070 1.00 0.00 H new ATOM 0 HG SER A 61 -3.855 -4.745 -6.041 1.00 0.00 H new ATOM 903 N SER A 62 -0.787 -8.267 -5.649 1.00 0.00 N ATOM 904 CA SER A 62 -0.017 -9.096 -6.579 1.00 0.00 C ATOM 905 C SER A 62 1.384 -9.200 -5.989 1.00 0.00 C ATOM 906 O SER A 62 1.815 -8.405 -5.163 1.00 0.00 O ATOM 907 CB SER A 62 0.152 -8.582 -8.051 1.00 0.00 C ATOM 908 OG SER A 62 1.050 -9.297 -9.001 1.00 0.00 O ATOM 0 H SER A 62 -0.495 -8.382 -4.678 1.00 0.00 H new ATOM 0 HA SER A 62 -0.581 -10.024 -6.673 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.841 -8.560 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.499 -7.550 -7.994 1.00 0.00 H new ATOM 0 HG SER A 62 0.806 -9.063 -9.921 1.00 0.00 H new ATOM 914 N LEU A 63 2.064 -10.236 -6.522 1.00 0.00 N ATOM 915 CA LEU A 63 3.413 -10.598 -6.172 1.00 0.00 C ATOM 916 C LEU A 63 4.333 -9.778 -7.079 1.00 0.00 C ATOM 917 O LEU A 63 4.881 -10.271 -8.058 1.00 0.00 O ATOM 918 CB LEU A 63 3.637 -12.126 -6.316 1.00 0.00 C ATOM 919 CG LEU A 63 2.830 -13.002 -5.278 1.00 0.00 C ATOM 920 CD1 LEU A 63 1.312 -13.141 -4.883 1.00 0.00 C ATOM 921 CD2 LEU A 63 3.335 -14.434 -5.503 1.00 0.00 C ATOM 0 H LEU A 63 1.658 -10.850 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 63 3.628 -10.375 -5.127 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.357 -12.429 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.700 -12.338 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 63 3.014 -12.309 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.208 -13.887 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.940 -12.181 -4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.736 -13.451 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.824 -15.112 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.132 -14.734 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.409 -14.474 -5.319 1.00 0.00 H new ATOM 933 N TYR A 64 4.458 -8.491 -6.675 1.00 0.00 N ATOM 934 CA TYR A 64 5.297 -7.511 -7.350 1.00 0.00 C ATOM 935 C TYR A 64 4.713 -7.290 -8.763 1.00 0.00 C ATOM 936 O TYR A 64 5.417 -7.349 -9.764 1.00 0.00 O ATOM 937 CB TYR A 64 6.779 -7.973 -7.331 1.00 0.00 C ATOM 938 CG TYR A 64 7.688 -7.015 -6.608 1.00 0.00 C ATOM 939 CD1 TYR A 64 8.147 -5.873 -7.242 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.103 -7.268 -5.308 1.00 0.00 C ATOM 941 CE1 TYR A 64 9.015 -5.005 -6.598 1.00 0.00 C ATOM 942 CE2 TYR A 64 8.981 -6.413 -4.652 1.00 0.00 C ATOM 943 CZ TYR A 64 9.448 -5.260 -5.293 1.00 0.00 C ATOM 944 OH TYR A 64 10.349 -4.399 -4.666 1.00 0.00 O ATOM 0 H TYR A 64 3.969 -8.115 -5.863 1.00 0.00 H new ATOM 0 HA TYR A 64 5.297 -6.548 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.842 -8.952 -6.856 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.129 -8.093 -8.356 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.825 -5.656 -8.250 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.737 -8.146 -4.796 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.361 -4.120 -7.111 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.303 -6.639 -3.646 1.00 0.00 H new ATOM 0 HH TYR A 64 10.378 -4.598 -3.707 1.00 0.00 H new ATOM 954 N GLY A 65 3.386 -7.024 -8.781 1.00 0.00 N ATOM 955 CA GLY A 65 2.691 -6.794 -10.049 1.00 0.00 C ATOM 956 C GLY A 65 2.895 -5.372 -10.593 1.00 0.00 C ATOM 957 O GLY A 65 2.814 -5.128 -11.791 1.00 0.00 O ATOM 0 H GLY A 65 2.797 -6.966 -7.951 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.044 -7.514 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.625 -6.976 -9.911 1.00 0.00 H new ATOM 961 N GLN A 66 3.168 -4.464 -9.633 1.00 0.00 N ATOM 962 CA GLN A 66 3.364 -3.055 -9.924 1.00 0.00 C ATOM 963 C GLN A 66 4.859 -2.784 -10.144 1.00 0.00 C ATOM 964 O GLN A 66 5.252 -1.636 -10.321 1.00 0.00 O ATOM 965 CB GLN A 66 2.789 -2.231 -8.760 1.00 0.00 C ATOM 966 CG GLN A 66 3.386 -2.601 -7.392 1.00 0.00 C ATOM 967 CD GLN A 66 2.727 -1.785 -6.277 1.00 0.00 C ATOM 968 OE1 GLN A 66 1.517 -1.597 -6.245 1.00 0.00 O ATOM 969 NE2 GLN A 66 3.603 -1.316 -5.373 1.00 0.00 N ATOM 0 H GLN A 66 3.255 -4.699 -8.644 1.00 0.00 H new ATOM 0 HA GLN A 66 2.843 -2.766 -10.837 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.968 -1.173 -8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.709 -2.370 -8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.244 -3.665 -7.203 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.461 -2.418 -7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.598 -1.519 -5.474 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.274 -0.757 -4.586 1.00 0.00 H new ATOM 978 N GLY A 67 5.672 -3.864 -10.123 1.00 0.00 N ATOM 979 CA GLY A 67 7.106 -3.709 -10.329 1.00 0.00 C ATOM 980 C GLY A 67 7.764 -2.931 -9.181 1.00 0.00 C ATOM 981 O GLY A 67 7.171 -2.698 -8.136 1.00 0.00 O ATOM 0 H GLY A 67 5.359 -4.822 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.570 -4.692 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.284 -3.189 -11.270 1.00 0.00 H new ATOM 985 N GLU A 68 9.023 -2.545 -9.474 1.00 0.00 N ATOM 986 CA GLU A 68 9.869 -1.796 -8.554 1.00 0.00 C ATOM 987 C GLU A 68 9.635 -0.293 -8.805 1.00 0.00 C ATOM 988 O GLU A 68 10.475 0.528 -8.461 1.00 0.00 O ATOM 989 CB GLU A 68 11.332 -2.198 -8.825 1.00 0.00 C ATOM 990 CG GLU A 68 11.623 -3.670 -8.467 1.00 0.00 C ATOM 991 CD GLU A 68 13.017 -4.133 -8.939 1.00 0.00 C ATOM 992 OE1 GLU A 68 13.355 -3.908 -10.101 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.747 -4.720 -8.140 1.00 0.00 O ATOM 0 H GLU A 68 9.474 -2.751 -10.365 1.00 0.00 H new ATOM 0 HA GLU A 68 9.636 -2.011 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.560 -2.033 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.994 -1.551 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.548 -3.799 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.861 -4.307 -8.917 1.00 0.00 H new ATOM 1000 N ILE A 69 8.474 0.030 -9.419 1.00 0.00 N ATOM 1001 CA ILE A 69 8.132 1.403 -9.744 1.00 0.00 C ATOM 1002 C ILE A 69 7.377 1.964 -8.536 1.00 0.00 C ATOM 1003 O ILE A 69 7.895 2.747 -7.750 1.00 0.00 O ATOM 1004 CB ILE A 69 7.291 1.454 -11.067 1.00 0.00 C ATOM 1005 CG1 ILE A 69 7.451 0.275 -12.066 1.00 0.00 C ATOM 1006 CG2 ILE A 69 6.836 2.924 -11.344 1.00 0.00 C ATOM 1007 CD1 ILE A 69 8.872 0.253 -12.639 1.00 0.00 C ATOM 0 H ILE A 69 7.768 -0.654 -9.693 1.00 0.00 H new ATOM 0 HA ILE A 69 9.016 2.012 -9.933 1.00 0.00 H new ATOM 0 HB ILE A 69 6.291 1.027 -11.134 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.240 -0.668 -11.563 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.727 0.374 -12.875 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.252 2.957 -12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.226 3.279 -10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.713 3.563 -11.448 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.970 -0.578 -13.337 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.069 1.190 -13.160 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.590 0.132 -11.828 1.00 0.00 H new ATOM 1019 N ASP A 70 6.112 1.498 -8.456 1.00 0.00 N ATOM 1020 CA ASP A 70 5.179 1.917 -7.428 1.00 0.00 C ATOM 1021 C ASP A 70 5.616 1.312 -6.081 1.00 0.00 C ATOM 1022 O ASP A 70 5.300 1.855 -5.031 1.00 0.00 O ATOM 1023 CB ASP A 70 3.761 1.478 -7.860 1.00 0.00 C ATOM 1024 CG ASP A 70 2.634 2.031 -6.967 1.00 0.00 C ATOM 1025 OD1 ASP A 70 2.194 3.156 -7.192 1.00 0.00 O ATOM 1026 OD2 ASP A 70 2.189 1.321 -6.067 1.00 0.00 O ATOM 0 H ASP A 70 5.724 0.820 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 70 5.168 2.999 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.589 1.801 -8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.712 0.389 -7.856 1.00 0.00 H new ATOM 1031 N CYS A 71 6.362 0.184 -6.153 1.00 0.00 N ATOM 1032 CA CYS A 71 6.808 -0.487 -4.941 1.00 0.00 C ATOM 1033 C CYS A 71 7.946 0.329 -4.321 1.00 0.00 C ATOM 1034 O CYS A 71 7.901 0.628 -3.133 1.00 0.00 O ATOM 1035 CB CYS A 71 7.230 -1.925 -5.245 1.00 0.00 C ATOM 1036 SG CYS A 71 7.785 -2.814 -3.768 1.00 0.00 S ATOM 0 H CYS A 71 6.655 -0.261 -7.023 1.00 0.00 H new ATOM 0 HA CYS A 71 5.991 -0.548 -4.222 1.00 0.00 H new ATOM 0 HB2 CYS A 71 6.392 -2.459 -5.693 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.033 -1.916 -5.982 1.00 0.00 H new ATOM 0 HG CYS A 71 8.756 -3.618 -4.085 1.00 0.00 H new ATOM 1042 N LYS A 72 8.952 0.695 -5.162 1.00 0.00 N ATOM 1043 CA LYS A 72 10.076 1.469 -4.629 1.00 0.00 C ATOM 1044 C LYS A 72 9.769 2.969 -4.747 1.00 0.00 C ATOM 1045 O LYS A 72 10.648 3.815 -4.627 1.00 0.00 O ATOM 1046 CB LYS A 72 11.407 1.126 -5.324 1.00 0.00 C ATOM 1047 CG LYS A 72 11.764 -0.366 -5.338 1.00 0.00 C ATOM 1048 CD LYS A 72 13.185 -0.577 -5.883 1.00 0.00 C ATOM 1049 CE LYS A 72 13.618 -2.046 -5.958 1.00 0.00 C ATOM 1050 NZ LYS A 72 15.011 -2.259 -5.586 1.00 0.00 N ATOM 0 H LYS A 72 8.999 0.475 -6.157 1.00 0.00 H new ATOM 0 HA LYS A 72 10.197 1.203 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.366 1.484 -6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.210 1.672 -4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.692 -0.772 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.048 -0.911 -5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.248 -0.140 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.888 -0.034 -5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.980 -2.639 -5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.461 -2.412 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.239 -3.271 -5.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.628 -1.719 -6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.162 -1.939 -4.608 1.00 0.00 H new ATOM 1063 N GLY A 73 8.480 3.240 -4.966 1.00 0.00 N ATOM 1064 CA GLY A 73 7.951 4.585 -5.103 1.00 0.00 C ATOM 1065 C GLY A 73 7.331 5.045 -3.781 1.00 0.00 C ATOM 1066 O GLY A 73 7.219 6.233 -3.506 1.00 0.00 O ATOM 0 H GLY A 73 7.769 2.514 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.747 5.269 -5.397 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.201 4.610 -5.893 1.00 0.00 H new ATOM 1070 N LEU A 74 6.948 4.020 -2.985 1.00 0.00 N ATOM 1071 CA LEU A 74 6.350 4.237 -1.681 1.00 0.00 C ATOM 1072 C LEU A 74 7.501 4.284 -0.668 1.00 0.00 C ATOM 1073 O LEU A 74 7.395 4.911 0.378 1.00 0.00 O ATOM 1074 CB LEU A 74 5.264 3.183 -1.435 1.00 0.00 C ATOM 1075 CG LEU A 74 4.177 3.260 -2.584 1.00 0.00 C ATOM 1076 CD1 LEU A 74 3.024 2.330 -3.115 1.00 0.00 C ATOM 1077 CD2 LEU A 74 3.522 4.656 -2.451 1.00 0.00 C ATOM 0 H LEU A 74 7.050 3.038 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 74 5.817 5.183 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.709 2.188 -1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.795 3.349 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 74 4.891 2.861 -3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.521 2.815 -3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.445 1.381 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.305 2.149 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.758 4.774 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.064 4.751 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.282 5.428 -2.573 1.00 0.00 H new ATOM 1089 N ARG A 75 8.617 3.617 -1.045 1.00 0.00 N ATOM 1090 CA ARG A 75 9.818 3.639 -0.224 1.00 0.00 C ATOM 1091 C ARG A 75 10.391 5.068 -0.378 1.00 0.00 C ATOM 1092 O ARG A 75 11.005 5.613 0.531 1.00 0.00 O ATOM 1093 CB ARG A 75 10.824 2.585 -0.727 1.00 0.00 C ATOM 1094 CG ARG A 75 10.277 1.151 -0.689 1.00 0.00 C ATOM 1095 CD ARG A 75 10.293 0.518 0.715 1.00 0.00 C ATOM 1096 NE ARG A 75 9.299 -0.541 0.894 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.026 -1.536 0.009 1.00 0.00 C ATOM 1098 NH1 ARG A 75 9.718 -1.703 -1.114 1.00 0.00 N ATOM 1099 NH2 ARG A 75 8.040 -2.388 0.269 1.00 0.00 N ATOM 0 H ARG A 75 8.696 3.069 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 75 9.610 3.402 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.113 2.828 -1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.727 2.637 -0.119 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.254 1.152 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.865 0.530 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.285 0.110 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.119 1.297 1.457 1.00 0.00 H new ATOM 0 HE ARG A 75 8.762 -0.532 1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.487 -1.071 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.480 -2.463 -1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.496 -2.292 1.126 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.827 -3.138 -0.389 1.00 0.00 H new ATOM 1113 N GLU A 76 10.127 5.637 -1.584 1.00 0.00 N ATOM 1114 CA GLU A 76 10.556 6.978 -1.938 1.00 0.00 C ATOM 1115 C GLU A 76 9.576 7.984 -1.293 1.00 0.00 C ATOM 1116 O GLU A 76 9.940 9.129 -1.069 1.00 0.00 O ATOM 1117 CB GLU A 76 10.599 7.106 -3.471 1.00 0.00 C ATOM 1118 CG GLU A 76 11.130 8.463 -3.959 1.00 0.00 C ATOM 1119 CD GLU A 76 11.192 8.497 -5.495 1.00 0.00 C ATOM 1120 OE1 GLU A 76 10.171 8.785 -6.120 1.00 0.00 O ATOM 1121 OE2 GLU A 76 12.259 8.235 -6.051 1.00 0.00 O ATOM 0 H GLU A 76 9.610 5.163 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 76 11.558 7.189 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.227 6.312 -3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.596 6.953 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.485 9.264 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.122 8.642 -3.545 1.00 0.00 H new ATOM 1128 N LYS A 77 8.335 7.514 -1.003 1.00 0.00 N ATOM 1129 CA LYS A 77 7.286 8.319 -0.394 1.00 0.00 C ATOM 1130 C LYS A 77 7.571 8.450 1.125 1.00 0.00 C ATOM 1131 O LYS A 77 6.952 9.246 1.821 1.00 0.00 O ATOM 1132 CB LYS A 77 5.919 7.655 -0.639 1.00 0.00 C ATOM 1133 CG LYS A 77 4.708 8.524 -0.286 1.00 0.00 C ATOM 1134 CD LYS A 77 3.415 7.702 -0.277 1.00 0.00 C ATOM 1135 CE LYS A 77 2.184 8.564 -0.019 1.00 0.00 C ATOM 1136 NZ LYS A 77 1.862 9.382 -1.177 1.00 0.00 N ATOM 0 H LYS A 77 8.049 6.554 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 77 7.268 9.314 -0.838 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.852 7.373 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.869 6.734 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.858 8.980 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.619 9.337 -1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.305 7.192 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.483 6.930 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.335 7.926 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.360 9.205 0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.441 10.279 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.730 9.577 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.185 8.875 -1.782 1.00 0.00 H new ATOM 1149 N CYS A 78 8.513 7.614 1.607 1.00 0.00 N ATOM 1150 CA CYS A 78 8.916 7.588 3.008 1.00 0.00 C ATOM 1151 C CYS A 78 10.058 8.565 3.148 1.00 0.00 C ATOM 1152 O CYS A 78 10.153 9.380 4.058 1.00 0.00 O ATOM 1153 CB CYS A 78 9.223 6.159 3.467 1.00 0.00 C ATOM 1154 SG CYS A 78 7.783 5.086 3.257 1.00 0.00 S ATOM 0 H CYS A 78 9.011 6.940 1.025 1.00 0.00 H new ATOM 0 HA CYS A 78 8.115 7.903 3.677 1.00 0.00 H new ATOM 0 HB2 CYS A 78 10.062 5.763 2.896 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.525 6.167 4.514 1.00 0.00 H new ATOM 0 HG CYS A 78 8.148 3.843 3.369 1.00 0.00 H new ATOM 1160 N ASP A 79 10.880 8.406 2.113 1.00 0.00 N ATOM 1161 CA ASP A 79 12.064 9.180 1.860 1.00 0.00 C ATOM 1162 C ASP A 79 11.646 10.572 1.354 1.00 0.00 C ATOM 1163 O ASP A 79 12.473 11.452 1.147 1.00 0.00 O ATOM 1164 CB ASP A 79 13.038 8.413 0.943 1.00 0.00 C ATOM 1165 CG ASP A 79 14.417 9.092 0.865 1.00 0.00 C ATOM 1166 OD1 ASP A 79 15.174 9.000 1.832 1.00 0.00 O ATOM 1167 OD2 ASP A 79 14.720 9.703 -0.160 1.00 0.00 O ATOM 0 H ASP A 79 10.718 7.695 1.400 1.00 0.00 H new ATOM 0 HA ASP A 79 12.633 9.341 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.157 7.394 1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.613 8.342 -0.058 1.00 0.00 H new ATOM 1172 N GLU A 80 10.321 10.716 1.195 1.00 0.00 N ATOM 1173 CA GLU A 80 9.687 11.946 0.781 1.00 0.00 C ATOM 1174 C GLU A 80 9.637 12.794 2.044 1.00 0.00 C ATOM 1175 O GLU A 80 10.104 13.926 2.094 1.00 0.00 O ATOM 1176 CB GLU A 80 8.291 11.739 0.163 1.00 0.00 C ATOM 1177 CG GLU A 80 7.580 13.036 -0.262 1.00 0.00 C ATOM 1178 CD GLU A 80 8.359 13.779 -1.359 1.00 0.00 C ATOM 1179 OE1 GLU A 80 8.247 13.395 -2.523 1.00 0.00 O ATOM 1180 OE2 GLU A 80 9.068 14.733 -1.039 1.00 0.00 O ATOM 0 H GLU A 80 9.660 9.956 1.358 1.00 0.00 H new ATOM 0 HA GLU A 80 10.248 12.427 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.386 11.090 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.663 11.215 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.579 12.801 -0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.462 13.687 0.604 1.00 0.00 H new ATOM 1187 N ALA A 81 9.027 12.132 3.051 1.00 0.00 N ATOM 1188 CA ALA A 81 8.832 12.682 4.388 1.00 0.00 C ATOM 1189 C ALA A 81 8.012 13.977 4.246 1.00 0.00 C ATOM 1190 O ALA A 81 8.266 14.978 4.905 1.00 0.00 O ATOM 1191 CB ALA A 81 10.177 12.897 5.105 1.00 0.00 C ATOM 0 H ALA A 81 8.655 11.188 2.945 1.00 0.00 H new ATOM 0 HA ALA A 81 8.282 11.982 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.998 13.308 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.698 11.944 5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.789 13.592 4.530 1.00 0.00 H new ATOM 1197 N GLY A 82 7.022 13.875 3.334 1.00 0.00 N ATOM 1198 CA GLY A 82 6.111 14.965 3.017 1.00 0.00 C ATOM 1199 C GLY A 82 4.714 14.376 2.847 1.00 0.00 C ATOM 1200 O GLY A 82 3.748 14.814 3.460 1.00 0.00 O ATOM 0 H GLY A 82 6.842 13.024 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.116 15.710 3.813 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.425 15.471 2.104 1.00 0.00 H new ATOM 1204 N LEU A 83 4.690 13.345 1.972 1.00 0.00 N ATOM 1205 CA LEU A 83 3.454 12.629 1.701 1.00 0.00 C ATOM 1206 C LEU A 83 3.504 11.438 2.661 1.00 0.00 C ATOM 1207 O LEU A 83 4.439 10.646 2.644 1.00 0.00 O ATOM 1208 CB LEU A 83 3.390 12.172 0.237 1.00 0.00 C ATOM 1209 CG LEU A 83 3.293 13.351 -0.783 1.00 0.00 C ATOM 1210 CD1 LEU A 83 3.392 12.762 -2.220 1.00 0.00 C ATOM 1211 CD2 LEU A 83 2.609 14.703 -0.475 1.00 0.00 C ATOM 0 H LEU A 83 5.503 13.006 1.458 1.00 0.00 H new ATOM 0 HA LEU A 83 2.567 13.244 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.276 11.579 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.528 11.518 0.107 1.00 0.00 H new ATOM 0 HG LEU A 83 4.124 14.031 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.326 13.569 -2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.344 12.244 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.575 12.059 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.676 15.352 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.561 14.533 -0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.107 15.179 0.370 1.00 0.00 H new ATOM 1223 N LYS A 84 2.445 11.370 3.501 1.00 0.00 N ATOM 1224 CA LYS A 84 2.355 10.308 4.491 1.00 0.00 C ATOM 1225 C LYS A 84 1.906 9.049 3.741 1.00 0.00 C ATOM 1226 O LYS A 84 1.009 9.074 2.909 1.00 0.00 O ATOM 1227 CB LYS A 84 1.424 10.706 5.654 1.00 0.00 C ATOM 1228 CG LYS A 84 -0.077 10.773 5.311 1.00 0.00 C ATOM 1229 CD LYS A 84 -0.881 9.591 5.873 1.00 0.00 C ATOM 1230 CE LYS A 84 -1.170 9.753 7.370 1.00 0.00 C ATOM 1231 NZ LYS A 84 -1.917 8.635 7.929 1.00 0.00 N ATOM 0 H LYS A 84 1.666 12.028 3.503 1.00 0.00 H new ATOM 0 HA LYS A 84 3.316 10.116 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.561 9.992 6.466 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.737 11.680 6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.491 11.703 5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.194 10.801 4.228 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.822 9.501 5.330 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.329 8.666 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.227 9.858 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.732 10.674 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.937 8.714 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.890 8.650 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.459 7.741 7.659 1.00 0.00 H new ATOM 1244 N GLY A 85 2.619 7.962 4.092 1.00 0.00 N ATOM 1245 CA GLY A 85 2.366 6.657 3.501 1.00 0.00 C ATOM 1246 C GLY A 85 3.555 5.736 3.786 1.00 0.00 C ATOM 1247 O GLY A 85 4.165 5.165 2.890 1.00 0.00 O ATOM 0 H GLY A 85 3.371 7.973 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.452 6.229 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.216 6.754 2.426 1.00 0.00 H new ATOM 1251 N ILE A 86 3.836 5.650 5.106 1.00 0.00 N ATOM 1252 CA ILE A 86 4.928 4.830 5.619 1.00 0.00 C ATOM 1253 C ILE A 86 4.415 3.401 5.720 1.00 0.00 C ATOM 1254 O ILE A 86 5.149 2.439 5.530 1.00 0.00 O ATOM 1255 CB ILE A 86 5.453 5.274 7.014 1.00 0.00 C ATOM 1256 CG1 ILE A 86 7.030 5.276 7.086 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.354 6.102 7.781 1.00 0.00 C ATOM 1258 CD1 ILE A 86 7.636 5.620 8.464 1.00 0.00 C ATOM 0 H ILE A 86 3.312 6.145 5.828 1.00 0.00 H new ATOM 0 HA ILE A 86 5.768 4.933 4.932 1.00 0.00 H new ATOM 0 HB ILE A 86 5.543 4.674 7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.390 4.292 6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.408 5.990 6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.740 6.404 8.755 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.096 6.989 7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.465 5.487 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.724 5.593 8.400 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.315 6.618 8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.297 4.893 9.202 1.00 0.00 H new ATOM 1270 N LYS A 87 3.109 3.333 6.033 1.00 0.00 N ATOM 1271 CA LYS A 87 2.441 2.057 6.180 1.00 0.00 C ATOM 1272 C LYS A 87 2.118 1.614 4.756 1.00 0.00 C ATOM 1273 O LYS A 87 1.388 2.270 4.023 1.00 0.00 O ATOM 1274 CB LYS A 87 1.177 2.176 7.047 1.00 0.00 C ATOM 1275 CG LYS A 87 1.363 2.999 8.332 1.00 0.00 C ATOM 1276 CD LYS A 87 2.617 2.628 9.139 1.00 0.00 C ATOM 1277 CE LYS A 87 2.556 3.121 10.587 1.00 0.00 C ATOM 1278 NZ LYS A 87 2.439 4.571 10.684 1.00 0.00 N ATOM 0 H LYS A 87 2.512 4.146 6.185 1.00 0.00 H new ATOM 0 HA LYS A 87 3.066 1.327 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.384 2.629 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.841 1.175 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.412 4.056 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.485 2.868 8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.740 1.545 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.496 3.051 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.706 2.658 11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.453 2.797 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.453 4.854 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.236 5.018 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.545 4.877 10.250 1.00 0.00 H new ATOM 1291 N LEU A 88 2.739 0.468 4.417 1.00 0.00 N ATOM 1292 CA LEU A 88 2.557 -0.103 3.097 1.00 0.00 C ATOM 1293 C LEU A 88 2.457 -1.601 3.348 1.00 0.00 C ATOM 1294 O LEU A 88 3.456 -2.287 3.508 1.00 0.00 O ATOM 1295 CB LEU A 88 3.750 0.258 2.185 1.00 0.00 C ATOM 1296 CG LEU A 88 4.119 1.762 2.239 1.00 0.00 C ATOM 1297 CD1 LEU A 88 5.688 1.794 2.387 1.00 0.00 C ATOM 1298 CD2 LEU A 88 3.083 2.447 1.277 1.00 0.00 C ATOM 0 H LEU A 88 3.356 -0.061 5.034 1.00 0.00 H new ATOM 0 HA LEU A 88 1.674 0.275 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.617 -0.334 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.510 -0.015 1.157 1.00 0.00 H new ATOM 0 HG LEU A 88 3.979 2.498 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.028 2.829 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.978 1.276 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.144 1.299 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.267 3.521 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.191 2.035 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.072 2.261 1.639 1.00 0.00 H new ATOM 1310 N PHE A 89 1.195 -2.079 3.347 1.00 0.00 N ATOM 1311 CA PHE A 89 0.960 -3.494 3.586 1.00 0.00 C ATOM 1312 C PHE A 89 0.764 -4.007 2.149 1.00 0.00 C ATOM 1313 O PHE A 89 -0.313 -4.042 1.567 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.210 -3.644 4.590 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.287 -4.953 5.354 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.649 -5.977 5.194 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.344 -5.167 6.238 1.00 0.00 C ATOM 1318 CE1 PHE A 89 0.519 -7.179 5.876 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -1.472 -6.369 6.920 1.00 0.00 C ATOM 1320 CZ PHE A 89 -0.544 -7.380 6.736 1.00 0.00 C ATOM 0 H PHE A 89 0.358 -1.518 3.188 1.00 0.00 H new ATOM 0 HA PHE A 89 1.739 -4.081 4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.145 -2.831 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.145 -3.512 4.046 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.487 -5.831 4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.074 -4.386 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.251 -7.960 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.300 -6.517 7.598 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.650 -8.318 7.260 1.00 0.00 H new ATOM 1330 N VAL A 90 1.932 -4.439 1.645 1.00 0.00 N ATOM 1331 CA VAL A 90 2.066 -4.867 0.269 1.00 0.00 C ATOM 1332 C VAL A 90 1.766 -6.369 0.137 1.00 0.00 C ATOM 1333 O VAL A 90 2.576 -7.261 0.357 1.00 0.00 O ATOM 1334 CB VAL A 90 3.523 -4.450 -0.146 1.00 0.00 C ATOM 1335 CG1 VAL A 90 3.613 -2.890 -0.091 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.835 -5.197 0.146 1.00 0.00 C ATOM 0 H VAL A 90 2.795 -4.496 2.186 1.00 0.00 H new ATOM 0 HA VAL A 90 1.348 -4.400 -0.405 1.00 0.00 H new ATOM 0 HB VAL A 90 3.556 -4.940 -1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.616 -2.573 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.887 -2.459 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.398 -2.549 0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.672 -4.643 -0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.970 -5.288 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.795 -6.191 -0.299 1.00 0.00 H new ATOM 1346 N GLY A 91 0.490 -6.552 -0.258 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.052 -7.887 -0.472 1.00 0.00 C ATOM 1348 C GLY A 91 0.577 -8.603 -1.667 1.00 0.00 C ATOM 1349 O GLY A 91 0.754 -8.044 -2.741 1.00 0.00 O ATOM 0 H GLY A 91 -0.170 -5.794 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.104 -8.485 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.129 -7.816 -0.624 1.00 0.00 H new ATOM 1353 N GLY A 92 0.899 -9.884 -1.370 1.00 0.00 N ATOM 1354 CA GLY A 92 1.530 -10.774 -2.328 1.00 0.00 C ATOM 1355 C GLY A 92 3.047 -10.648 -2.181 1.00 0.00 C ATOM 1356 O GLY A 92 3.710 -11.454 -1.539 1.00 0.00 O ATOM 0 H GLY A 92 0.723 -10.312 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.217 -11.803 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.225 -10.516 -3.342 1.00 0.00 H new ATOM 1360 N ASN A 93 3.498 -9.552 -2.835 1.00 0.00 N ATOM 1361 CA ASN A 93 4.837 -9.001 -2.980 1.00 0.00 C ATOM 1362 C ASN A 93 5.889 -10.091 -2.724 1.00 0.00 C ATOM 1363 O ASN A 93 6.293 -10.331 -1.593 1.00 0.00 O ATOM 1364 CB ASN A 93 4.964 -7.798 -2.028 1.00 0.00 C ATOM 1365 CG ASN A 93 6.172 -6.915 -2.366 1.00 0.00 C ATOM 1366 OD1 ASN A 93 7.268 -7.097 -1.852 1.00 0.00 O ATOM 1367 ND2 ASN A 93 5.886 -5.943 -3.252 1.00 0.00 N ATOM 0 H ASN A 93 2.829 -8.967 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 93 5.013 -8.649 -3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.054 -7.200 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.054 -8.157 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.612 -5.288 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 93 4.943 -5.862 -3.633 1.00 0.00 H new ATOM 1374 N ILE A 94 6.317 -10.712 -3.849 1.00 0.00 N ATOM 1375 CA ILE A 94 7.327 -11.768 -3.844 1.00 0.00 C ATOM 1376 C ILE A 94 6.634 -13.050 -3.341 1.00 0.00 C ATOM 1377 O ILE A 94 5.943 -13.071 -2.330 1.00 0.00 O ATOM 1378 CB ILE A 94 8.637 -11.378 -3.059 1.00 0.00 C ATOM 1379 CG1 ILE A 94 9.109 -9.909 -3.182 1.00 0.00 C ATOM 1380 CG2 ILE A 94 9.493 -12.656 -2.775 1.00 0.00 C ATOM 1381 CD1 ILE A 94 10.465 -9.568 -2.535 1.00 0.00 C ATOM 0 H ILE A 94 5.965 -10.486 -4.779 1.00 0.00 H new ATOM 0 HA ILE A 94 7.707 -11.938 -4.851 1.00 0.00 H new ATOM 0 HB ILE A 94 8.581 -11.073 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 94 9.162 -9.655 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.348 -9.267 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.396 -12.376 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.912 -13.357 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.768 -13.127 -3.719 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.686 -8.512 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.422 -9.779 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 94 11.249 -10.172 -2.992 1.00 0.00 H new ATOM 1393 N VAL A 95 6.889 -14.116 -4.133 1.00 0.00 N ATOM 1394 CA VAL A 95 6.351 -15.444 -3.863 1.00 0.00 C ATOM 1395 C VAL A 95 7.289 -16.146 -2.874 1.00 0.00 C ATOM 1396 O VAL A 95 8.452 -15.792 -2.726 1.00 0.00 O ATOM 1397 CB VAL A 95 6.249 -16.256 -5.198 1.00 0.00 C ATOM 1398 CG1 VAL A 95 5.239 -17.435 -5.053 1.00 0.00 C ATOM 1399 CG2 VAL A 95 6.845 -15.765 -6.552 1.00 0.00 C ATOM 0 H VAL A 95 7.471 -14.068 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 95 5.351 -15.372 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 95 7.206 -16.626 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.184 -17.985 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.572 -18.104 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.253 -17.041 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.644 -16.504 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.387 -14.815 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 95 7.922 -15.632 -6.449 1.00 0.00 H new ATOM 1409 N VAL A 96 6.678 -17.163 -2.222 1.00 0.00 N ATOM 1410 CA VAL A 96 7.275 -18.043 -1.224 1.00 0.00 C ATOM 1411 C VAL A 96 8.297 -17.320 -0.330 1.00 0.00 C ATOM 1412 O VAL A 96 9.484 -17.624 -0.317 1.00 0.00 O ATOM 1413 CB VAL A 96 7.842 -19.334 -1.901 1.00 0.00 C ATOM 1414 CG1 VAL A 96 8.829 -18.986 -3.062 1.00 0.00 C ATOM 1415 CG2 VAL A 96 7.738 -20.767 -1.304 1.00 0.00 C ATOM 0 H VAL A 96 5.700 -17.394 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 96 6.487 -18.359 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 96 6.960 -19.888 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 96 9.203 -19.907 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.308 -18.400 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.665 -18.408 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.215 -21.478 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 96 8.238 -20.795 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.689 -21.034 -1.178 1.00 0.00 H new ATOM 1425 N GLY A 97 7.734 -16.348 0.414 1.00 0.00 N ATOM 1426 CA GLY A 97 8.541 -15.547 1.320 1.00 0.00 C ATOM 1427 C GLY A 97 7.630 -14.790 2.287 1.00 0.00 C ATOM 1428 O GLY A 97 6.513 -14.412 1.958 1.00 0.00 O ATOM 0 H GLY A 97 6.742 -16.111 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.226 -16.188 1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.151 -14.844 0.754 1.00 0.00 H new ATOM 1432 N LYS A 98 8.196 -14.619 3.499 1.00 0.00 N ATOM 1433 CA LYS A 98 7.531 -13.922 4.588 1.00 0.00 C ATOM 1434 C LYS A 98 8.591 -13.879 5.685 1.00 0.00 C ATOM 1435 O LYS A 98 8.912 -14.893 6.293 1.00 0.00 O ATOM 1436 CB LYS A 98 6.229 -14.623 5.041 1.00 0.00 C ATOM 1437 CG LYS A 98 4.980 -13.781 4.735 1.00 0.00 C ATOM 1438 CD LYS A 98 3.665 -14.515 5.022 1.00 0.00 C ATOM 1439 CE LYS A 98 3.440 -14.848 6.501 1.00 0.00 C ATOM 1440 NZ LYS A 98 3.284 -13.660 7.331 1.00 0.00 N ATOM 0 H LYS A 98 9.126 -14.964 3.737 1.00 0.00 H new ATOM 0 HA LYS A 98 7.190 -12.928 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.146 -15.588 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.278 -14.821 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.014 -12.866 5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.000 -13.483 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.836 -13.902 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.645 -15.440 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.551 -15.472 6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.282 -15.434 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.101 -13.945 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.154 -13.092 7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.485 -13.094 6.980 1.00 0.00 H new ATOM 1453 N GLN A 99 9.106 -12.638 5.871 1.00 0.00 N ATOM 1454 CA GLN A 99 10.146 -12.280 6.832 1.00 0.00 C ATOM 1455 C GLN A 99 11.466 -12.373 6.058 1.00 0.00 C ATOM 1456 O GLN A 99 12.233 -11.422 5.986 1.00 0.00 O ATOM 1457 CB GLN A 99 10.127 -13.110 8.139 1.00 0.00 C ATOM 1458 CG GLN A 99 11.013 -12.546 9.266 1.00 0.00 C ATOM 1459 CD GLN A 99 12.516 -12.709 8.986 1.00 0.00 C ATOM 1460 OE1 GLN A 99 13.266 -11.743 8.920 1.00 0.00 O ATOM 1461 NE2 GLN A 99 12.902 -13.989 8.831 1.00 0.00 N ATOM 0 H GLN A 99 8.786 -11.836 5.327 1.00 0.00 H new ATOM 0 HA GLN A 99 9.982 -11.272 7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.100 -13.174 8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.450 -14.126 7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.787 -11.489 9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.766 -13.049 10.201 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.216 -14.741 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.881 -14.207 8.644 1.00 0.00 H new ATOM 1470 N ASN A 100 11.675 -13.578 5.486 1.00 0.00 N ATOM 1471 CA ASN A 100 12.861 -13.869 4.706 1.00 0.00 C ATOM 1472 C ASN A 100 12.513 -13.432 3.279 1.00 0.00 C ATOM 1473 O ASN A 100 11.721 -14.060 2.586 1.00 0.00 O ATOM 1474 CB ASN A 100 13.254 -15.360 4.825 1.00 0.00 C ATOM 1475 CG ASN A 100 12.174 -16.354 4.341 1.00 0.00 C ATOM 1476 OD1 ASN A 100 10.979 -16.176 4.544 1.00 0.00 O ATOM 1477 ND2 ASN A 100 12.686 -17.411 3.684 1.00 0.00 N ATOM 0 H ASN A 100 11.023 -14.359 5.560 1.00 0.00 H new ATOM 0 HA ASN A 100 13.744 -13.336 5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.166 -15.528 4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.488 -15.578 5.867 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.066 -18.132 3.316 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.694 -17.491 3.554 1.00 0.00 H new ATOM 1484 N TRP A 101 13.152 -12.302 2.905 1.00 0.00 N ATOM 1485 CA TRP A 101 12.950 -11.721 1.589 1.00 0.00 C ATOM 1486 C TRP A 101 14.318 -11.797 0.896 1.00 0.00 C ATOM 1487 O TRP A 101 15.335 -11.983 1.554 1.00 0.00 O ATOM 1488 CB TRP A 101 12.490 -10.257 1.711 1.00 0.00 C ATOM 1489 CG TRP A 101 11.164 -10.176 2.434 1.00 0.00 C ATOM 1490 CD1 TRP A 101 10.942 -9.580 3.678 1.00 0.00 C ATOM 1491 CD2 TRP A 101 9.891 -10.681 1.986 1.00 0.00 C ATOM 1492 NE1 TRP A 101 9.631 -9.696 4.001 1.00 0.00 N ATOM 1493 CE2 TRP A 101 8.950 -10.364 2.993 1.00 0.00 C ATOM 1494 CE3 TRP A 101 9.492 -11.351 0.860 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 7.640 -10.725 2.839 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.158 -11.721 0.702 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.233 -11.409 1.695 1.00 0.00 C ATOM 0 H TRP A 101 13.803 -11.789 3.500 1.00 0.00 H new ATOM 0 HA TRP A 101 12.180 -12.249 1.027 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.240 -9.678 2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.397 -9.815 0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.696 -9.102 4.286 1.00 0.00 H new ATOM 0 HE1 TRP A 101 9.207 -9.344 4.859 1.00 0.00 H new ATOM 0 HE3 TRP A 101 10.213 -11.593 0.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.920 -10.480 3.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.843 -12.247 -0.187 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.199 -11.697 1.578 1.00 0.00 H new ATOM 1508 N PRO A 102 14.323 -11.641 -0.466 1.00 0.00 N ATOM 1509 CA PRO A 102 15.562 -11.678 -1.240 1.00 0.00 C ATOM 1510 C PRO A 102 16.355 -10.383 -0.935 1.00 0.00 C ATOM 1511 O PRO A 102 16.212 -9.773 0.117 1.00 0.00 O ATOM 1512 CB PRO A 102 15.103 -11.803 -2.715 1.00 0.00 C ATOM 1513 CG PRO A 102 13.602 -12.085 -2.670 1.00 0.00 C ATOM 1514 CD PRO A 102 13.129 -11.579 -1.309 1.00 0.00 C ATOM 0 HA PRO A 102 16.231 -12.505 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.311 -10.886 -3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.636 -12.608 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.083 -11.573 -3.480 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.400 -13.150 -2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.741 -10.563 -1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.327 -12.201 -0.910 1.00 0.00 H new ATOM 1522 N ASP A 103 17.159 -9.976 -1.946 1.00 0.00 N ATOM 1523 CA ASP A 103 18.020 -8.805 -1.844 1.00 0.00 C ATOM 1524 C ASP A 103 17.152 -7.548 -1.986 1.00 0.00 C ATOM 1525 O ASP A 103 17.546 -6.460 -1.583 1.00 0.00 O ATOM 1526 CB ASP A 103 19.134 -8.864 -2.911 1.00 0.00 C ATOM 1527 CG ASP A 103 18.577 -8.940 -4.349 1.00 0.00 C ATOM 1528 OD1 ASP A 103 18.363 -7.891 -4.955 1.00 0.00 O ATOM 1529 OD2 ASP A 103 18.365 -10.047 -4.844 1.00 0.00 O ATOM 0 H ASP A 103 17.219 -10.456 -2.844 1.00 0.00 H new ATOM 0 HA ASP A 103 18.515 -8.779 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 103 19.768 -7.983 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 103 19.765 -9.733 -2.724 1.00 0.00 H new ATOM 1534 N VAL A 104 15.958 -7.763 -2.578 1.00 0.00 N ATOM 1535 CA VAL A 104 15.009 -6.689 -2.803 1.00 0.00 C ATOM 1536 C VAL A 104 14.564 -6.075 -1.478 1.00 0.00 C ATOM 1537 O VAL A 104 14.900 -4.930 -1.206 1.00 0.00 O ATOM 1538 CB VAL A 104 13.790 -7.136 -3.669 1.00 0.00 C ATOM 1539 CG1 VAL A 104 13.637 -8.685 -3.718 1.00 0.00 C ATOM 1540 CG2 VAL A 104 12.690 -6.137 -4.105 1.00 0.00 C ATOM 0 H VAL A 104 15.642 -8.677 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 104 15.524 -5.920 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 104 13.909 -6.862 -4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.775 -8.946 -4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.536 -9.126 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 104 13.492 -9.068 -2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 104 11.939 -6.659 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.219 -5.706 -3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 104 13.137 -5.342 -4.702 1.00 0.00 H new ATOM 1550 N GLU A 105 13.812 -6.857 -0.663 1.00 0.00 N ATOM 1551 CA GLU A 105 13.381 -6.279 0.602 1.00 0.00 C ATOM 1552 C GLU A 105 14.431 -6.576 1.683 1.00 0.00 C ATOM 1553 O GLU A 105 14.082 -6.624 2.852 1.00 0.00 O ATOM 1554 CB GLU A 105 11.944 -6.635 1.021 1.00 0.00 C ATOM 1555 CG GLU A 105 10.915 -6.383 -0.097 1.00 0.00 C ATOM 1556 CD GLU A 105 9.495 -6.754 0.367 1.00 0.00 C ATOM 1557 OE1 GLU A 105 9.152 -7.936 0.328 1.00 0.00 O ATOM 1558 OE2 GLU A 105 8.744 -5.859 0.756 1.00 0.00 O ATOM 0 H GLU A 105 13.517 -7.815 -0.850 1.00 0.00 H new ATOM 0 HA GLU A 105 13.321 -5.200 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 105 11.905 -7.684 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.671 -6.049 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 105 10.943 -5.334 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.178 -6.969 -0.978 1.00 0.00 H new ATOM 1565 N GLN A 106 15.711 -6.780 1.269 1.00 0.00 N ATOM 1566 CA GLN A 106 16.792 -6.960 2.239 1.00 0.00 C ATOM 1567 C GLN A 106 17.131 -5.524 2.686 1.00 0.00 C ATOM 1568 O GLN A 106 17.359 -5.239 3.856 1.00 0.00 O ATOM 1569 CB GLN A 106 18.031 -7.619 1.609 1.00 0.00 C ATOM 1570 CG GLN A 106 19.225 -7.742 2.569 1.00 0.00 C ATOM 1571 CD GLN A 106 20.397 -8.451 1.877 1.00 0.00 C ATOM 1572 OE1 GLN A 106 21.375 -7.834 1.472 1.00 0.00 O ATOM 1573 NE2 GLN A 106 20.230 -9.782 1.772 1.00 0.00 N ATOM 0 H GLN A 106 16.001 -6.821 0.292 1.00 0.00 H new ATOM 0 HA GLN A 106 16.492 -7.615 3.057 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.760 -8.613 1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.336 -7.039 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.536 -6.752 2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.929 -8.298 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.384 -10.220 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.950 -10.353 1.328 1.00 0.00 H new ATOM 1582 N ARG A 107 17.135 -4.647 1.654 1.00 0.00 N ATOM 1583 CA ARG A 107 17.397 -3.233 1.844 1.00 0.00 C ATOM 1584 C ARG A 107 16.094 -2.623 2.389 1.00 0.00 C ATOM 1585 O ARG A 107 16.140 -1.683 3.174 1.00 0.00 O ATOM 1586 CB ARG A 107 17.883 -2.566 0.540 1.00 0.00 C ATOM 1587 CG ARG A 107 17.020 -2.893 -0.689 1.00 0.00 C ATOM 1588 CD ARG A 107 17.451 -2.161 -1.963 1.00 0.00 C ATOM 1589 NE ARG A 107 17.292 -0.721 -1.798 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.347 0.136 -2.842 1.00 0.00 C ATOM 1591 NH1 ARG A 107 17.563 -0.298 -4.082 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.181 1.437 -2.625 1.00 0.00 N ATOM 0 H ARG A 107 16.957 -4.912 0.685 1.00 0.00 H new ATOM 0 HA ARG A 107 18.209 -3.067 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.901 -1.485 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.909 -2.879 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.055 -3.967 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.983 -2.640 -0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.491 -2.395 -2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.854 -2.505 -2.808 1.00 0.00 H new ATOM 0 HE ARG A 107 17.134 -0.347 -0.862 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.691 -1.294 -4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.601 0.366 -4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.014 1.779 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.220 2.093 -3.405 1.00 0.00 H new ATOM 1606 N PHE A 108 14.939 -3.208 1.961 1.00 0.00 N ATOM 1607 CA PHE A 108 13.660 -2.700 2.454 1.00 0.00 C ATOM 1608 C PHE A 108 13.262 -3.517 3.695 1.00 0.00 C ATOM 1609 O PHE A 108 12.099 -3.522 4.073 1.00 0.00 O ATOM 1610 CB PHE A 108 12.544 -2.678 1.389 1.00 0.00 C ATOM 1611 CG PHE A 108 13.012 -2.083 0.088 1.00 0.00 C ATOM 1612 CD1 PHE A 108 13.648 -0.844 0.062 1.00 0.00 C ATOM 1613 CD2 PHE A 108 12.822 -2.764 -1.109 1.00 0.00 C ATOM 1614 CE1 PHE A 108 14.091 -0.299 -1.132 1.00 0.00 C ATOM 1615 CE2 PHE A 108 13.274 -2.227 -2.303 1.00 0.00 C ATOM 1616 CZ PHE A 108 13.908 -0.994 -2.315 1.00 0.00 C ATOM 0 H PHE A 108 14.881 -3.991 1.309 1.00 0.00 H new ATOM 0 HA PHE A 108 13.790 -1.651 2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 108 12.190 -3.694 1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.697 -2.105 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 108 13.798 -0.302 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.318 -3.719 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.578 0.665 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.132 -2.770 -3.226 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.259 -0.576 -3.247 1.00 0.00 H new ATOM 1626 N LYS A 109 14.254 -4.235 4.285 1.00 0.00 N ATOM 1627 CA LYS A 109 14.030 -4.980 5.520 1.00 0.00 C ATOM 1628 C LYS A 109 14.378 -3.970 6.620 1.00 0.00 C ATOM 1629 O LYS A 109 13.729 -3.888 7.655 1.00 0.00 O ATOM 1630 CB LYS A 109 14.901 -6.251 5.648 1.00 0.00 C ATOM 1631 CG LYS A 109 14.078 -7.515 5.929 1.00 0.00 C ATOM 1632 CD LYS A 109 13.390 -7.494 7.301 1.00 0.00 C ATOM 1633 CE LYS A 109 12.573 -8.764 7.547 1.00 0.00 C ATOM 1634 NZ LYS A 109 11.900 -8.762 8.839 1.00 0.00 N ATOM 0 H LYS A 109 15.203 -4.304 3.917 1.00 0.00 H new ATOM 0 HA LYS A 109 13.008 -5.356 5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 109 15.468 -6.390 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.625 -6.110 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.322 -7.629 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.730 -8.386 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 109 14.142 -7.389 8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.737 -6.624 7.367 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.831 -8.872 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.231 -9.631 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.107 -9.434 8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.572 -9.043 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.540 -7.808 9.041 1.00 0.00 H new ATOM 1647 N ALA A 110 15.457 -3.205 6.296 1.00 0.00 N ATOM 1648 CA ALA A 110 15.986 -2.162 7.157 1.00 0.00 C ATOM 1649 C ALA A 110 14.903 -1.088 7.272 1.00 0.00 C ATOM 1650 O ALA A 110 14.735 -0.475 8.319 1.00 0.00 O ATOM 1651 CB ALA A 110 17.301 -1.606 6.590 1.00 0.00 C ATOM 0 H ALA A 110 15.971 -3.312 5.422 1.00 0.00 H new ATOM 0 HA ALA A 110 16.228 -2.548 8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.681 -0.826 7.250 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.034 -2.409 6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 110 17.122 -1.188 5.599 1.00 0.00 H new ATOM 1657 N MET A 111 14.174 -0.904 6.143 1.00 0.00 N ATOM 1658 CA MET A 111 13.069 0.035 6.132 1.00 0.00 C ATOM 1659 C MET A 111 11.989 -0.707 6.927 1.00 0.00 C ATOM 1660 O MET A 111 11.607 -0.308 8.021 1.00 0.00 O ATOM 1661 CB MET A 111 12.640 0.360 4.691 1.00 0.00 C ATOM 1662 CG MET A 111 13.694 1.176 3.936 1.00 0.00 C ATOM 1663 SD MET A 111 13.031 1.812 2.384 1.00 0.00 S ATOM 1664 CE MET A 111 13.134 3.581 2.716 1.00 0.00 C ATOM 0 H MET A 111 14.339 -1.388 5.260 1.00 0.00 H new ATOM 0 HA MET A 111 13.303 1.007 6.566 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.450 -0.569 4.153 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.702 0.914 4.711 1.00 0.00 H new ATOM 0 HG2 MET A 111 14.031 2.005 4.558 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.566 0.553 3.735 1.00 0.00 H new ATOM 0 HE1 MET A 111 12.697 4.133 1.884 1.00 0.00 H new ATOM 0 HE2 MET A 111 12.589 3.812 3.631 1.00 0.00 H new ATOM 0 HE3 MET A 111 14.179 3.869 2.833 1.00 0.00 H new ATOM 1674 N GLY A 112 11.568 -1.827 6.293 1.00 0.00 N ATOM 1675 CA GLY A 112 10.586 -2.781 6.795 1.00 0.00 C ATOM 1676 C GLY A 112 9.364 -2.212 7.533 1.00 0.00 C ATOM 1677 O GLY A 112 8.779 -2.875 8.381 1.00 0.00 O ATOM 0 H GLY A 112 11.929 -2.090 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.226 -3.370 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 112 11.097 -3.468 7.469 1.00 0.00 H new ATOM 1681 N PHE A 113 9.012 -0.962 7.159 1.00 0.00 N ATOM 1682 CA PHE A 113 7.832 -0.314 7.720 1.00 0.00 C ATOM 1683 C PHE A 113 6.622 -0.840 6.909 1.00 0.00 C ATOM 1684 O PHE A 113 5.472 -0.541 7.202 1.00 0.00 O ATOM 1685 CB PHE A 113 7.962 1.227 7.693 1.00 0.00 C ATOM 1686 CG PHE A 113 8.636 1.791 6.462 1.00 0.00 C ATOM 1687 CD1 PHE A 113 8.173 1.507 5.180 1.00 0.00 C ATOM 1688 CD2 PHE A 113 9.740 2.631 6.599 1.00 0.00 C ATOM 1689 CE1 PHE A 113 8.798 2.041 4.063 1.00 0.00 C ATOM 1690 CE2 PHE A 113 10.362 3.175 5.483 1.00 0.00 C ATOM 1691 CZ PHE A 113 9.892 2.878 4.213 1.00 0.00 C ATOM 0 H PHE A 113 9.526 -0.399 6.481 1.00 0.00 H new ATOM 0 HA PHE A 113 7.705 -0.556 8.775 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.966 1.662 7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.522 1.545 8.573 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.316 0.862 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 113 10.116 2.861 7.585 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.432 1.804 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 113 11.212 3.830 5.604 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.377 3.297 3.344 1.00 0.00 H new ATOM 1701 N ASP A 114 6.978 -1.631 5.871 1.00 0.00 N ATOM 1702 CA ASP A 114 6.094 -2.273 4.942 1.00 0.00 C ATOM 1703 C ASP A 114 6.086 -3.752 5.349 1.00 0.00 C ATOM 1704 O ASP A 114 7.128 -4.353 5.588 1.00 0.00 O ATOM 1705 CB ASP A 114 6.656 -2.077 3.515 1.00 0.00 C ATOM 1706 CG ASP A 114 8.127 -2.553 3.390 1.00 0.00 C ATOM 1707 OD1 ASP A 114 9.033 -1.771 3.679 1.00 0.00 O ATOM 1708 OD2 ASP A 114 8.346 -3.702 3.004 1.00 0.00 O ATOM 0 H ASP A 114 7.957 -1.834 5.670 1.00 0.00 H new ATOM 0 HA ASP A 114 5.082 -1.868 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.037 -2.626 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.593 -1.023 3.244 1.00 0.00 H new ATOM 1713 N ARG A 115 4.852 -4.288 5.430 1.00 0.00 N ATOM 1714 CA ARG A 115 4.637 -5.689 5.754 1.00 0.00 C ATOM 1715 C ARG A 115 4.126 -6.267 4.430 1.00 0.00 C ATOM 1716 O ARG A 115 3.888 -5.531 3.481 1.00 0.00 O ATOM 1717 CB ARG A 115 3.687 -5.866 6.960 1.00 0.00 C ATOM 1718 CG ARG A 115 2.768 -4.669 7.267 1.00 0.00 C ATOM 1719 CD ARG A 115 3.440 -3.603 8.141 1.00 0.00 C ATOM 1720 NE ARG A 115 2.441 -2.626 8.547 1.00 0.00 N ATOM 1721 CZ ARG A 115 2.749 -1.552 9.303 1.00 0.00 C ATOM 1722 NH1 ARG A 115 4.004 -1.293 9.662 1.00 0.00 N ATOM 1723 NH2 ARG A 115 1.776 -0.743 9.701 1.00 0.00 N ATOM 0 H ARG A 115 3.994 -3.759 5.273 1.00 0.00 H new ATOM 0 HA ARG A 115 5.529 -6.215 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 115 3.064 -6.743 6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 115 4.288 -6.076 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.449 -4.213 6.329 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.869 -5.028 7.769 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.893 -4.066 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 115 4.242 -3.114 7.589 1.00 0.00 H new ATOM 0 HE ARG A 115 1.474 -2.758 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.758 -1.913 9.365 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.212 -0.475 10.234 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.811 -0.937 9.435 1.00 0.00 H new ATOM 0 HH22 ARG A 115 1.993 0.073 10.273 1.00 0.00 H new ATOM 1737 N VAL A 116 3.985 -7.612 4.400 1.00 0.00 N ATOM 1738 CA VAL A 116 3.512 -8.273 3.181 1.00 0.00 C ATOM 1739 C VAL A 116 2.490 -9.346 3.586 1.00 0.00 C ATOM 1740 O VAL A 116 2.493 -9.836 4.709 1.00 0.00 O ATOM 1741 CB VAL A 116 4.694 -8.836 2.322 1.00 0.00 C ATOM 1742 CG1 VAL A 116 4.257 -9.826 1.165 1.00 0.00 C ATOM 1743 CG2 VAL A 116 5.944 -7.876 2.430 1.00 0.00 C ATOM 0 H VAL A 116 4.186 -8.236 5.182 1.00 0.00 H new ATOM 0 HA VAL A 116 3.021 -7.550 2.529 1.00 0.00 H new ATOM 0 HB VAL A 116 5.297 -9.698 2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.140 -10.165 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.743 -10.685 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.586 -9.310 0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.762 -8.275 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.675 -6.885 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 116 6.259 -7.805 3.471 1.00 0.00 H new ATOM 1753 N TYR A 117 1.636 -9.693 2.588 1.00 0.00 N ATOM 1754 CA TYR A 117 0.585 -10.682 2.820 1.00 0.00 C ATOM 1755 C TYR A 117 1.162 -11.986 2.233 1.00 0.00 C ATOM 1756 O TYR A 117 1.904 -11.948 1.258 1.00 0.00 O ATOM 1757 CB TYR A 117 -0.733 -10.361 2.072 1.00 0.00 C ATOM 1758 CG TYR A 117 -1.463 -9.090 2.464 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -0.824 -7.871 2.649 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -2.842 -9.113 2.605 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -1.532 -6.722 2.940 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -3.568 -7.971 2.925 1.00 0.00 C ATOM 1763 CZ TYR A 117 -2.919 -6.749 3.092 1.00 0.00 C ATOM 1764 OH TYR A 117 -3.643 -5.611 3.436 1.00 0.00 O ATOM 0 H TYR A 117 1.663 -9.307 1.644 1.00 0.00 H new ATOM 0 HA TYR A 117 0.334 -10.722 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.512 -10.308 1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -1.415 -11.199 2.215 1.00 0.00 H new ATOM 0 HD1 TYR A 117 0.251 -7.821 2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.368 -10.045 2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.004 -5.787 3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -4.640 -8.031 3.045 1.00 0.00 H new ATOM 0 HH TYR A 117 -3.501 -4.916 2.760 1.00 0.00 H new ATOM 1774 N PRO A 118 0.797 -13.158 2.843 1.00 0.00 N ATOM 1775 CA PRO A 118 1.301 -14.449 2.387 1.00 0.00 C ATOM 1776 C PRO A 118 0.741 -14.690 0.972 1.00 0.00 C ATOM 1777 O PRO A 118 -0.376 -14.294 0.671 1.00 0.00 O ATOM 1778 CB PRO A 118 0.744 -15.491 3.385 1.00 0.00 C ATOM 1779 CG PRO A 118 0.075 -14.696 4.511 1.00 0.00 C ATOM 1780 CD PRO A 118 -0.121 -13.277 3.977 1.00 0.00 C ATOM 0 HA PRO A 118 2.389 -14.505 2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.027 -16.152 2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 118 1.543 -16.121 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -0.880 -15.143 4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.697 -14.692 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.153 -13.113 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.103 -12.535 4.743 1.00 0.00 H new ATOM 1788 N PRO A 119 1.554 -15.348 0.097 1.00 0.00 N ATOM 1789 CA PRO A 119 1.108 -15.659 -1.255 1.00 0.00 C ATOM 1790 C PRO A 119 0.233 -16.913 -1.067 1.00 0.00 C ATOM 1791 O PRO A 119 0.715 -17.987 -0.725 1.00 0.00 O ATOM 1792 CB PRO A 119 2.410 -15.944 -2.018 1.00 0.00 C ATOM 1793 CG PRO A 119 3.406 -16.403 -0.945 1.00 0.00 C ATOM 1794 CD PRO A 119 2.944 -15.730 0.351 1.00 0.00 C ATOM 0 HA PRO A 119 0.541 -14.898 -1.790 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.263 -16.714 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.768 -15.053 -2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 119 3.405 -17.489 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 119 4.423 -16.107 -1.201 1.00 0.00 H new ATOM 0 HD2 PRO A 119 3.019 -16.411 1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 119 3.557 -14.860 0.586 1.00 0.00 H new ATOM 1802 N GLY A 120 -1.077 -16.695 -1.306 1.00 0.00 N ATOM 1803 CA GLY A 120 -2.071 -17.756 -1.162 1.00 0.00 C ATOM 1804 C GLY A 120 -2.646 -17.762 0.256 1.00 0.00 C ATOM 1805 O GLY A 120 -2.839 -18.803 0.872 1.00 0.00 O ATOM 0 H GLY A 120 -1.460 -15.796 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -2.873 -17.612 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -1.615 -18.722 -1.380 1.00 0.00 H new ATOM 1809 N THR A 121 -2.899 -16.518 0.716 1.00 0.00 N ATOM 1810 CA THR A 121 -3.443 -16.276 2.040 1.00 0.00 C ATOM 1811 C THR A 121 -4.961 -16.275 1.895 1.00 0.00 C ATOM 1812 O THR A 121 -5.564 -16.441 0.842 1.00 0.00 O ATOM 1813 CB THR A 121 -2.936 -14.911 2.600 1.00 0.00 C ATOM 1814 OG1 THR A 121 -3.189 -14.637 4.017 1.00 0.00 O ATOM 1815 CG2 THR A 121 -3.229 -13.748 1.599 1.00 0.00 C ATOM 0 H THR A 121 -2.729 -15.670 0.175 1.00 0.00 H new ATOM 0 HA THR A 121 -3.122 -17.045 2.743 1.00 0.00 H new ATOM 0 HB THR A 121 -1.851 -15.001 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 121 -3.517 -13.719 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 121 -2.865 -12.809 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 121 -2.724 -13.946 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.303 -13.677 1.428 1.00 0.00 H new ATOM 1823 N SER A 122 -5.474 -16.035 3.101 1.00 0.00 N ATOM 1824 CA SER A 122 -6.842 -15.909 3.502 1.00 0.00 C ATOM 1825 C SER A 122 -7.268 -14.492 3.085 1.00 0.00 C ATOM 1826 O SER A 122 -6.463 -13.699 2.620 1.00 0.00 O ATOM 1827 CB SER A 122 -6.743 -15.949 5.058 1.00 0.00 C ATOM 1828 OG SER A 122 -5.765 -15.026 5.702 1.00 0.00 O ATOM 0 H SER A 122 -4.853 -15.913 3.901 1.00 0.00 H new ATOM 0 HA SER A 122 -7.525 -16.653 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.731 -15.732 5.465 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.492 -16.967 5.355 1.00 0.00 H new ATOM 0 HG SER A 122 -5.500 -14.332 5.063 1.00 0.00 H new ATOM 1834 N PRO A 123 -8.583 -14.194 3.244 1.00 0.00 N ATOM 1835 CA PRO A 123 -9.093 -12.853 2.999 1.00 0.00 C ATOM 1836 C PRO A 123 -9.072 -12.151 4.382 1.00 0.00 C ATOM 1837 O PRO A 123 -9.363 -10.967 4.488 1.00 0.00 O ATOM 1838 CB PRO A 123 -10.538 -13.086 2.565 1.00 0.00 C ATOM 1839 CG PRO A 123 -10.944 -14.377 3.288 1.00 0.00 C ATOM 1840 CD PRO A 123 -9.646 -15.174 3.473 1.00 0.00 C ATOM 0 HA PRO A 123 -8.542 -12.265 2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -11.179 -12.252 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -10.617 -13.194 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -11.409 -14.158 4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -11.670 -14.942 2.703 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -9.582 -15.603 4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -9.583 -16.001 2.766 1.00 0.00 H new ATOM 1848 N GLU A 124 -8.704 -12.953 5.419 1.00 0.00 N ATOM 1849 CA GLU A 124 -8.613 -12.552 6.805 1.00 0.00 C ATOM 1850 C GLU A 124 -7.372 -11.671 6.970 1.00 0.00 C ATOM 1851 O GLU A 124 -7.185 -11.044 8.005 1.00 0.00 O ATOM 1852 CB GLU A 124 -8.520 -13.824 7.667 1.00 0.00 C ATOM 1853 CG GLU A 124 -8.551 -13.549 9.178 1.00 0.00 C ATOM 1854 CD GLU A 124 -8.574 -14.866 9.971 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -7.503 -15.403 10.255 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -9.662 -15.341 10.296 1.00 0.00 O ATOM 0 H GLU A 124 -8.457 -13.933 5.280 1.00 0.00 H new ATOM 0 HA GLU A 124 -9.487 -11.981 7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -9.346 -14.487 7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -7.599 -14.352 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -7.678 -12.962 9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -9.430 -12.954 9.426 1.00 0.00 H new ATOM 1863 N THR A 125 -6.538 -11.646 5.906 1.00 0.00 N ATOM 1864 CA THR A 125 -5.330 -10.878 5.924 1.00 0.00 C ATOM 1865 C THR A 125 -5.716 -9.401 5.753 1.00 0.00 C ATOM 1866 O THR A 125 -5.018 -8.524 6.241 1.00 0.00 O ATOM 1867 CB THR A 125 -4.438 -11.344 4.740 1.00 0.00 C ATOM 1868 OG1 THR A 125 -4.778 -12.573 4.039 1.00 0.00 O ATOM 1869 CG2 THR A 125 -2.940 -11.245 5.106 1.00 0.00 C ATOM 0 H THR A 125 -6.703 -12.157 5.038 1.00 0.00 H new ATOM 0 HA THR A 125 -4.781 -11.010 6.857 1.00 0.00 H new ATOM 0 HB THR A 125 -4.681 -10.621 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 125 -5.539 -12.410 3.443 1.00 0.00 H new ATOM 0 HG21 THR A 125 -2.336 -11.577 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 125 -2.692 -10.211 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 125 -2.734 -11.877 5.970 1.00 0.00 H new ATOM 1877 N THR A 126 -6.838 -9.172 5.016 1.00 0.00 N ATOM 1878 CA THR A 126 -7.253 -7.811 4.778 1.00 0.00 C ATOM 1879 C THR A 126 -8.066 -7.297 5.962 1.00 0.00 C ATOM 1880 O THR A 126 -8.142 -6.094 6.199 1.00 0.00 O ATOM 1881 CB THR A 126 -8.075 -7.552 3.521 1.00 0.00 C ATOM 1882 OG1 THR A 126 -9.430 -8.099 3.466 1.00 0.00 O ATOM 1883 CG2 THR A 126 -7.248 -7.737 2.226 1.00 0.00 C ATOM 0 H THR A 126 -7.430 -9.893 4.604 1.00 0.00 H new ATOM 0 HA THR A 126 -6.308 -7.285 4.638 1.00 0.00 H new ATOM 0 HB THR A 126 -8.310 -6.491 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.045 -7.496 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 126 -7.880 -7.541 1.360 1.00 0.00 H new ATOM 0 HG22 THR A 126 -6.409 -7.042 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 126 -6.872 -8.759 2.177 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.693 -8.241 6.686 1.00 0.00 N ATOM 1892 CA ILE A 127 -9.398 -7.810 7.882 1.00 0.00 C ATOM 1893 C ILE A 127 -8.252 -7.408 8.844 1.00 0.00 C ATOM 1894 O ILE A 127 -8.373 -6.519 9.680 1.00 0.00 O ATOM 1895 CB ILE A 127 -10.292 -8.968 8.417 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -11.055 -9.770 7.346 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -10.706 -8.674 9.895 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -12.013 -10.847 7.886 1.00 0.00 C ATOM 0 H ILE A 127 -8.723 -9.239 6.476 1.00 0.00 H new ATOM 0 HA ILE A 127 -10.089 -6.981 7.732 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.851 -9.940 8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.627 -9.073 6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -10.329 -10.250 6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -11.331 -9.486 10.266 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -9.812 -8.592 10.514 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -11.263 -7.738 9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -12.499 -11.353 7.052 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -11.450 -11.573 8.472 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -12.769 -10.379 8.517 1.00 0.00 H new ATOM 1910 N ALA A 128 -7.111 -8.108 8.603 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.912 -7.886 9.353 1.00 0.00 C ATOM 1912 C ALA A 128 -5.152 -6.708 8.725 1.00 0.00 C ATOM 1913 O ALA A 128 -4.133 -6.307 9.273 1.00 0.00 O ATOM 1914 CB ALA A 128 -5.061 -9.161 9.456 1.00 0.00 C ATOM 0 H ALA A 128 -7.028 -8.828 7.885 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.163 -7.627 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.160 -8.951 10.032 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.636 -9.943 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -4.783 -9.494 8.456 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.665 -6.148 7.589 1.00 0.00 N ATOM 1921 CA ASP A 129 -4.994 -5.017 6.963 1.00 0.00 C ATOM 1922 C ASP A 129 -4.997 -3.866 7.976 1.00 0.00 C ATOM 1923 O ASP A 129 -3.975 -3.295 8.320 1.00 0.00 O ATOM 1924 CB ASP A 129 -5.726 -4.559 5.685 1.00 0.00 C ATOM 1925 CG ASP A 129 -4.967 -3.508 4.851 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -3.813 -3.206 5.146 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -5.547 -3.004 3.896 1.00 0.00 O ATOM 0 H ASP A 129 -6.513 -6.463 7.118 1.00 0.00 H new ATOM 0 HA ASP A 129 -3.983 -5.309 6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.917 -5.431 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -6.696 -4.149 5.965 1.00 0.00 H new ATOM 1932 N MET A 130 -6.234 -3.596 8.426 1.00 0.00 N ATOM 1933 CA MET A 130 -6.496 -2.513 9.361 1.00 0.00 C ATOM 1934 C MET A 130 -6.324 -3.008 10.808 1.00 0.00 C ATOM 1935 O MET A 130 -6.448 -2.208 11.725 1.00 0.00 O ATOM 1936 CB MET A 130 -7.922 -1.972 9.118 1.00 0.00 C ATOM 1937 CG MET A 130 -8.000 -0.990 7.942 1.00 0.00 C ATOM 1938 SD MET A 130 -7.391 -1.697 6.403 1.00 0.00 S ATOM 1939 CE MET A 130 -8.831 -2.669 5.938 1.00 0.00 C ATOM 0 H MET A 130 -7.064 -4.121 8.150 1.00 0.00 H new ATOM 0 HA MET A 130 -5.783 -1.704 9.203 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.595 -2.809 8.930 1.00 0.00 H new ATOM 0 HB3 MET A 130 -8.275 -1.476 10.022 1.00 0.00 H new ATOM 0 HG2 MET A 130 -9.034 -0.673 7.807 1.00 0.00 H new ATOM 0 HG3 MET A 130 -7.422 -0.097 8.181 1.00 0.00 H new ATOM 0 HE1 MET A 130 -8.740 -2.979 4.897 1.00 0.00 H new ATOM 0 HE2 MET A 130 -8.896 -3.551 6.575 1.00 0.00 H new ATOM 0 HE3 MET A 130 -9.731 -2.067 6.059 1.00 0.00 H new ATOM 1949 N LYS A 131 -6.028 -4.307 11.025 1.00 0.00 N ATOM 1950 CA LYS A 131 -5.901 -4.738 12.413 1.00 0.00 C ATOM 1951 C LYS A 131 -4.505 -4.380 12.956 1.00 0.00 C ATOM 1952 O LYS A 131 -4.390 -3.800 14.029 1.00 0.00 O ATOM 1953 CB LYS A 131 -6.141 -6.251 12.533 1.00 0.00 C ATOM 1954 CG LYS A 131 -6.201 -6.754 13.983 1.00 0.00 C ATOM 1955 CD LYS A 131 -6.549 -8.246 14.077 1.00 0.00 C ATOM 1956 CE LYS A 131 -5.473 -9.158 13.476 1.00 0.00 C ATOM 1957 NZ LYS A 131 -5.799 -10.570 13.636 1.00 0.00 N ATOM 0 H LYS A 131 -5.884 -5.021 10.311 1.00 0.00 H new ATOM 0 HA LYS A 131 -6.655 -4.219 13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -7.076 -6.502 12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -5.345 -6.779 12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -5.239 -6.578 14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -6.943 -6.176 14.534 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -6.698 -8.512 15.123 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -7.494 -8.425 13.565 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -5.357 -8.931 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -4.515 -8.951 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -5.045 -11.150 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -5.885 -10.794 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -6.700 -10.775 13.159 1.00 0.00 H new ATOM 1970 N GLU A 132 -3.462 -4.753 12.178 1.00 0.00 N ATOM 1971 CA GLU A 132 -2.095 -4.561 12.645 1.00 0.00 C ATOM 1972 C GLU A 132 -1.577 -3.160 12.345 1.00 0.00 C ATOM 1973 O GLU A 132 -0.834 -2.592 13.135 1.00 0.00 O ATOM 1974 CB GLU A 132 -1.187 -5.672 12.085 1.00 0.00 C ATOM 1975 CG GLU A 132 -0.944 -5.588 10.567 1.00 0.00 C ATOM 1976 CD GLU A 132 -0.211 -6.842 10.062 1.00 0.00 C ATOM 1977 OE1 GLU A 132 -0.798 -7.923 10.104 1.00 0.00 O ATOM 1978 OE2 GLU A 132 0.934 -6.727 9.627 1.00 0.00 O ATOM 0 H GLU A 132 -3.549 -5.175 11.253 1.00 0.00 H new ATOM 0 HA GLU A 132 -2.084 -4.643 13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -0.226 -5.632 12.598 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.632 -6.640 12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -1.896 -5.483 10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -0.356 -4.700 10.337 1.00 0.00 H new ATOM 1985 N VAL A 133 -1.983 -2.629 11.184 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.498 -1.300 10.795 1.00 0.00 C ATOM 1987 C VAL A 133 -2.094 -0.171 11.659 1.00 0.00 C ATOM 1988 O VAL A 133 -1.449 0.847 11.877 1.00 0.00 O ATOM 1989 CB VAL A 133 -1.646 -1.082 9.251 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -1.392 0.416 8.895 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -1.346 -2.178 8.203 1.00 0.00 C ATOM 0 H VAL A 133 -2.618 -3.076 10.523 1.00 0.00 H new ATOM 0 HA VAL A 133 -0.430 -1.255 11.006 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.689 -1.340 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -1.497 0.557 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.117 1.042 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -0.384 0.697 9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.524 -1.783 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.305 -2.490 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -1.997 -3.035 8.376 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.331 -0.405 12.151 1.00 0.00 N ATOM 2002 CA LEU A 134 -3.965 0.605 12.987 1.00 0.00 C ATOM 2003 C LEU A 134 -3.441 0.379 14.414 1.00 0.00 C ATOM 2004 O LEU A 134 -3.155 1.324 15.139 1.00 0.00 O ATOM 2005 CB LEU A 134 -5.498 0.506 12.937 1.00 0.00 C ATOM 2006 CG LEU A 134 -6.100 0.708 11.509 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -7.651 0.658 11.622 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -5.390 1.279 10.247 1.00 0.00 C ATOM 0 H LEU A 134 -3.880 -1.249 11.987 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.720 1.606 12.631 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -5.802 -0.471 13.314 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.922 1.252 13.608 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.556 -0.010 10.895 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -8.092 0.797 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -7.956 -0.309 12.023 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.993 1.451 12.287 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -6.088 1.288 9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.051 2.295 10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -4.533 0.654 9.998 1.00 0.00 H new ATOM 2020 N GLY A 135 -3.329 -0.925 14.762 1.00 0.00 N ATOM 2021 CA GLY A 135 -2.847 -1.327 16.077 1.00 0.00 C ATOM 2022 C GLY A 135 -1.369 -0.962 16.264 1.00 0.00 C ATOM 2023 O GLY A 135 -1.032 0.127 16.712 1.00 0.00 O ATOM 0 H GLY A 135 -3.568 -1.702 14.145 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -3.444 -0.842 16.849 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -2.977 -2.402 16.201 1.00 0.00 H new ATOM 2027 N VAL A 136 -0.520 -1.946 15.900 1.00 0.00 N ATOM 2028 CA VAL A 136 0.915 -1.746 16.003 1.00 0.00 C ATOM 2029 C VAL A 136 1.621 -2.835 15.185 1.00 0.00 C ATOM 2030 O VAL A 136 1.135 -3.945 15.008 1.00 0.00 O ATOM 2031 CB VAL A 136 1.377 -1.758 17.497 1.00 0.00 C ATOM 2032 CG1 VAL A 136 2.600 -0.814 17.687 1.00 0.00 C ATOM 2033 CG2 VAL A 136 0.543 -2.326 18.680 1.00 0.00 C ATOM 0 H VAL A 136 -0.806 -2.858 15.543 1.00 0.00 H new ATOM 0 HA VAL A 136 1.181 -0.768 15.601 1.00 0.00 H new ATOM 0 HB VAL A 136 1.568 -2.788 17.797 1.00 0.00 H new ATOM 0 HG11 VAL A 136 2.913 -0.830 18.731 1.00 0.00 H new ATOM 0 HG12 VAL A 136 3.422 -1.152 17.056 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.322 0.202 17.407 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.101 -2.207 19.609 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.401 -1.786 18.752 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.343 -3.384 18.509 1.00 0.00 H new ATOM 2043 N GLU A 137 2.805 -2.401 14.712 1.00 0.00 N ATOM 2044 CA GLU A 137 3.698 -3.210 13.901 1.00 0.00 C ATOM 2045 C GLU A 137 5.094 -2.636 14.192 1.00 0.00 C ATOM 2046 O GLU A 137 5.358 -1.493 13.815 1.00 0.00 O ATOM 2047 CB GLU A 137 3.340 -3.104 12.399 1.00 0.00 C ATOM 2048 CG GLU A 137 2.214 -4.050 11.948 1.00 0.00 C ATOM 2049 CD GLU A 137 2.673 -5.518 12.014 1.00 0.00 C ATOM 2050 OE1 GLU A 137 3.431 -5.936 11.139 1.00 0.00 O ATOM 2051 OE2 GLU A 137 2.270 -6.226 12.936 1.00 0.00 O ATOM 2052 OXT GLU A 137 5.906 -3.338 14.793 1.00 0.00 O ATOM 0 H GLU A 137 3.162 -1.463 14.892 1.00 0.00 H new ATOM 0 HA GLU A 137 3.632 -4.272 14.138 1.00 0.00 H new ATOM 0 HB2 GLU A 137 3.046 -2.078 12.179 1.00 0.00 H new ATOM 0 HB3 GLU A 137 4.232 -3.313 11.809 1.00 0.00 H new ATOM 0 HG2 GLU A 137 1.339 -3.909 12.582 1.00 0.00 H new ATOM 0 HG3 GLU A 137 1.912 -3.804 10.930 1.00 0.00 H new TER 2059 GLU A 137 HETATM 2060 N4 FOP A 138 1.287 -13.733 -10.547 1.00 0.00 N HETATM 2061 C5 FOP A 138 1.551 -14.175 -9.179 1.00 0.00 C HETATM 2062 C6 FOP A 138 0.312 -14.603 -8.379 1.00 0.00 C HETATM 2063 C7 FOP A 138 -0.780 -13.528 -8.427 1.00 0.00 C HETATM 2064 O7 FOP A 138 -0.196 -15.848 -8.815 1.00 0.00 O HETATM 0 H73 FOP A 138 -0.396 -12.600 -8.002 1.00 0.00 H new HETATM 0 H72 FOP A 138 -1.077 -13.357 -9.462 1.00 0.00 H new HETATM 0 H71 FOP A 138 -1.644 -13.861 -7.851 1.00 0.00 H new HETATM 0 H6 FOP A 138 0.631 -14.722 -7.343 1.00 0.00 H new HETATM 0 H52 FOP A 138 2.249 -15.012 -9.213 1.00 0.00 H new HETATM 0 H51 FOP A 138 2.049 -13.367 -8.643 1.00 0.00 H new HETATM 0 H43 FOP A 138 2.171 -13.582 -11.033 1.00 0.00 H new HETATM 0 H42 FOP A 138 0.748 -14.447 -11.037 1.00 0.00 H new HETATM 0 H41 FOP A 138 0.757 -12.861 -10.527 1.00 0.00 H new HETATM 2074 P DBI A 139 -1.483 -16.317 -8.016 1.00 0.00 P HETATM 2075 O1P DBI A 139 -2.759 -15.794 -8.784 1.00 0.00 O HETATM 2076 O2P DBI A 139 -1.511 -17.896 -7.963 1.00 0.00 O HETATM 2077 O3' DBI A 139 -1.442 -15.727 -6.545 1.00 0.00 O HETATM 2078 O5' DBI A 139 -4.999 -17.535 -6.076 1.00 0.00 O HETATM 2079 C5' DBI A 139 -4.900 -16.202 -6.508 1.00 0.00 C HETATM 2080 C4' DBI A 139 -3.780 -15.444 -5.784 1.00 0.00 C HETATM 2081 O4' DBI A 139 -4.215 -15.198 -4.460 1.00 0.00 O HETATM 2082 C1' DBI A 139 -3.071 -14.958 -3.669 1.00 0.00 C HETATM 2083 N1 DBI A 139 -2.755 -13.531 -3.710 1.00 0.00 N HETATM 2084 C8 DBI A 139 -3.176 -12.535 -2.830 1.00 0.00 C HETATM 2085 C7 DBI A 139 -3.939 -12.535 -1.691 1.00 0.00 C HETATM 2086 C6 DBI A 139 -4.223 -11.345 -1.004 1.00 0.00 C HETATM 2087 C11 DBI A 139 -5.079 -11.392 0.241 1.00 0.00 C HETATM 2088 C10 DBI A 139 -3.968 -8.811 -0.817 1.00 0.00 C HETATM 2089 C5 DBI A 139 -3.698 -10.134 -1.489 1.00 0.00 C HETATM 2090 C4 DBI A 139 -2.900 -10.148 -2.634 1.00 0.00 C HETATM 2091 C9 DBI A 139 -2.650 -11.306 -3.309 1.00 0.00 C HETATM 2092 N3 DBI A 139 -1.936 -11.576 -4.460 1.00 0.00 N HETATM 2093 C2 DBI A 139 -2.045 -12.901 -4.660 1.00 0.00 C HETATM 2094 C2' DBI A 139 -2.008 -15.916 -4.230 1.00 0.00 C HETATM 2095 O2' DBI A 139 -0.688 -15.450 -4.066 1.00 0.00 O HETATM 2096 C3' DBI A 139 -2.442 -16.184 -5.663 1.00 0.00 C HETATM 0 HO21 DBI A 139 -0.273 -15.326 -4.945 1.00 0.00 H new HETATM 0 H5'2 DBI A 139 -4.716 -16.182 -7.582 1.00 0.00 H new HETATM 0 H5'1 DBI A 139 -5.850 -15.695 -6.338 1.00 0.00 H new HETATM 0 H113 DBI A 139 -6.059 -11.800 -0.007 1.00 0.00 H new HETATM 0 H112 DBI A 139 -4.601 -12.026 0.988 1.00 0.00 H new HETATM 0 H111 DBI A 139 -5.195 -10.385 0.641 1.00 0.00 H new HETATM 0 H103 DBI A 139 -5.041 -8.620 -0.807 1.00 0.00 H new HETATM 0 H102 DBI A 139 -3.596 -8.840 0.207 1.00 0.00 H new HETATM 0 H101 DBI A 139 -3.463 -8.015 -1.364 1.00 0.00 H new HETATM 0 HO5 DBI A 139 -5.724 -17.983 -6.560 1.00 0.00 H new HETATM 0 H7 DBI A 139 -4.333 -13.478 -1.312 1.00 0.00 H new HETATM 0 H4' DBI A 139 -3.597 -14.554 -6.386 1.00 0.00 H new HETATM 0 H4 DBI A 139 -2.468 -9.215 -2.996 1.00 0.00 H new HETATM 0 H3' DBI A 139 -2.573 -17.236 -5.917 1.00 0.00 H new HETATM 0 H2' DBI A 139 -1.959 -16.853 -3.675 1.00 0.00 H new HETATM 0 H2 DBI A 139 -1.600 -13.415 -5.512 1.00 0.00 H new HETATM 0 H1' DBI A 139 -3.180 -15.162 -2.604 1.00 0.00 H new