USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: B 233 LYS NZ :NH3+ -116:sc= -12.4! (180deg=-18.2!) USER MOD Set 1.2: B 234 ASN :FLIP amide:sc= -3.84! C(o=-18!,f=-16!) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 115 TYR OH : rot -10:sc= -1.09! USER MOD Set 3.1: A 87 TYR OH : rot 32:sc= 0.221 USER MOD Set 3.2: A 95 THR OG1 : rot 99:sc= -0.314 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 46 HIS :FLIP no HD1:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -62:sc= 0.101 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 63:sc= 1.15 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 27:sc= 0.166 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.162 K(o=0.16,f=-3.2!) USER MOD Single : A 62 THR OG1 : rot 39:sc= 0.548 USER MOD Single : A 63 THR OG1 : rot 150:sc= 0.804 USER MOD Single : A 66 GLN : amide:sc= -2.4 K(o=-2.4,f=-6.1!) USER MOD Single : A 73 GLN :FLIP amide:sc= 0.025 F(o=-1.2,f=0.025) USER MOD Single : A 74 SER OG : rot -120:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -136:sc= 0.359! (180deg=-3.09!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0397 K(o=-0.04,f=-0.92) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.00285 X(o=-0.0028,f=-0.16) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.376 K(o=-0.38,f=-3.9!) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-1) USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.61) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -9.032 7.838 1.412 1.00 0.00 N ATOM 2 CA TYR A 44 -9.045 8.317 0.000 1.00 0.00 C ATOM 3 C TYR A 44 -7.633 8.333 -0.589 1.00 0.00 C ATOM 4 O TYR A 44 -6.859 9.253 -0.327 1.00 0.00 O ATOM 5 CB TYR A 44 -9.651 9.728 -0.031 1.00 0.00 C ATOM 6 CG TYR A 44 -11.096 9.764 -0.475 1.00 0.00 C ATOM 7 CD1 TYR A 44 -12.126 9.500 0.420 1.00 0.00 C ATOM 8 CD2 TYR A 44 -11.432 10.057 -1.791 1.00 0.00 C ATOM 9 CE1 TYR A 44 -13.448 9.525 0.014 1.00 0.00 C ATOM 10 CE2 TYR A 44 -12.751 10.088 -2.201 1.00 0.00 C ATOM 11 CZ TYR A 44 -13.754 9.821 -1.296 1.00 0.00 C ATOM 12 OH TYR A 44 -15.066 9.843 -1.704 1.00 0.00 O ATOM 0 HA TYR A 44 -9.645 7.638 -0.605 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.576 10.167 0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.060 10.352 -0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.890 9.272 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.649 10.264 -2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.237 9.313 0.721 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -12.994 10.321 -3.227 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.109 10.070 -2.656 1.00 0.00 H new ATOM 22 N CYS A 45 -7.293 7.311 -1.378 1.00 0.00 N ATOM 23 CA CYS A 45 -5.962 7.226 -1.983 1.00 0.00 C ATOM 24 C CYS A 45 -5.938 7.807 -3.399 1.00 0.00 C ATOM 25 O CYS A 45 -4.943 8.405 -3.804 1.00 0.00 O ATOM 26 CB CYS A 45 -5.467 5.782 -1.995 1.00 0.00 C ATOM 27 SG CYS A 45 -3.661 5.623 -2.141 1.00 0.00 S ATOM 0 H CYS A 45 -7.915 6.537 -1.611 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.290 7.826 -1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.792 5.289 -1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.937 5.254 -2.825 1.00 0.00 H new ATOM 32 N HIS A 46 -7.034 7.641 -4.143 1.00 0.00 N ATOM 33 CA HIS A 46 -7.118 8.172 -5.507 1.00 0.00 C ATOM 34 C HIS A 46 -7.432 9.674 -5.498 1.00 0.00 C ATOM 35 O HIS A 46 -7.207 10.364 -6.493 1.00 0.00 O ATOM 36 CB HIS A 46 -8.180 7.421 -6.314 1.00 0.00 C ATOM 37 CG HIS A 46 -7.702 6.111 -6.853 1.00 0.00 C ATOM 38 ND1 HIS A 46 -7.276 4.996 -6.217 1.00 0.00 N flip ATOM 39 CD2 HIS A 46 -7.615 5.839 -8.202 1.00 0.00 C flip ATOM 40 CE1 HIS A 46 -6.943 4.079 -7.183 1.00 0.00 C flip ATOM 41 NE2 HIS A 46 -7.157 4.610 -8.374 1.00 0.00 N flip ATOM 0 H HIS A 46 -7.869 7.148 -3.828 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.147 8.026 -5.979 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -9.051 7.249 -5.682 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -8.507 8.049 -7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -7.880 6.523 -8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.567 3.084 -6.999 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.997 4.151 -9.271 1.00 0.00 H new ATOM 50 N ARG A 47 -7.944 10.170 -4.365 1.00 0.00 N ATOM 51 CA ARG A 47 -8.283 11.587 -4.208 1.00 0.00 C ATOM 52 C ARG A 47 -9.486 11.978 -5.074 1.00 0.00 C ATOM 53 O ARG A 47 -10.243 11.116 -5.513 1.00 0.00 O ATOM 54 CB ARG A 47 -7.058 12.459 -4.541 1.00 0.00 C ATOM 55 CG ARG A 47 -6.323 12.979 -3.312 1.00 0.00 C ATOM 56 CD ARG A 47 -6.799 14.369 -2.920 1.00 0.00 C ATOM 57 NE ARG A 47 -5.944 15.422 -3.481 1.00 0.00 N ATOM 58 CZ ARG A 47 -5.011 16.089 -2.803 1.00 0.00 C ATOM 59 NH1 ARG A 47 -4.758 15.806 -1.538 1.00 0.00 N ATOM 60 NH2 ARG A 47 -4.320 17.038 -3.405 1.00 0.00 N ATOM 0 H ARG A 47 -8.133 9.604 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 47 -8.566 11.757 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.365 11.878 -5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.380 13.306 -5.146 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.476 12.293 -2.479 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.252 13.004 -3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.823 14.512 -3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.813 14.454 -1.833 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.074 15.661 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.280 15.068 -1.066 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.040 16.326 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.501 17.258 -4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.604 17.552 -2.891 1.00 0.00 H new ATOM 74 N THR A 48 -9.662 13.285 -5.308 1.00 0.00 N ATOM 75 CA THR A 48 -10.777 13.788 -6.120 1.00 0.00 C ATOM 76 C THR A 48 -10.960 12.950 -7.389 1.00 0.00 C ATOM 77 O THR A 48 -12.085 12.645 -7.783 1.00 0.00 O ATOM 78 CB THR A 48 -10.551 15.259 -6.484 1.00 0.00 C ATOM 79 OG1 THR A 48 -10.912 16.102 -5.405 1.00 0.00 O ATOM 80 CG2 THR A 48 -11.344 15.712 -7.687 1.00 0.00 C ATOM 0 H THR A 48 -9.046 14.013 -4.946 1.00 0.00 H new ATOM 0 HA THR A 48 -11.688 13.707 -5.527 1.00 0.00 H new ATOM 0 HB THR A 48 -9.489 15.333 -6.717 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.759 17.037 -5.655 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.134 16.763 -7.886 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.062 15.115 -8.554 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.409 15.585 -7.490 1.00 0.00 H new ATOM 88 N THR A 49 -9.847 12.562 -8.012 1.00 0.00 N ATOM 89 CA THR A 49 -9.894 11.737 -9.221 1.00 0.00 C ATOM 90 C THR A 49 -9.975 10.249 -8.847 1.00 0.00 C ATOM 91 O THR A 49 -9.185 9.421 -9.305 1.00 0.00 O ATOM 92 CB THR A 49 -8.677 12.032 -10.114 1.00 0.00 C ATOM 93 OG1 THR A 49 -8.815 11.402 -11.374 1.00 0.00 O ATOM 94 CG2 THR A 49 -7.354 11.591 -9.522 1.00 0.00 C ATOM 0 H THR A 49 -8.906 12.804 -7.702 1.00 0.00 H new ATOM 0 HA THR A 49 -10.790 11.985 -9.789 1.00 0.00 H new ATOM 0 HB THR A 49 -8.659 13.118 -10.209 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.857 10.431 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.547 11.835 -10.213 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.189 12.106 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.373 10.515 -9.351 1.00 0.00 H new ATOM 102 N ILE A 50 -10.949 9.922 -7.996 1.00 0.00 N ATOM 103 CA ILE A 50 -11.157 8.549 -7.537 1.00 0.00 C ATOM 104 C ILE A 50 -12.193 7.824 -8.398 1.00 0.00 C ATOM 105 O ILE A 50 -12.050 6.634 -8.683 1.00 0.00 O ATOM 106 CB ILE A 50 -11.591 8.512 -6.049 1.00 0.00 C ATOM 107 CG1 ILE A 50 -11.553 7.079 -5.513 1.00 0.00 C ATOM 108 CG2 ILE A 50 -12.984 9.106 -5.865 1.00 0.00 C ATOM 109 CD1 ILE A 50 -11.543 6.997 -4.002 1.00 0.00 C ATOM 0 H ILE A 50 -11.610 10.595 -7.609 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.202 8.032 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 50 -10.885 9.119 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.418 6.535 -5.892 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -10.666 6.578 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.260 9.066 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.985 10.143 -6.201 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.704 8.534 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.516 5.952 -3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.664 7.512 -3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.443 7.468 -3.606 1.00 0.00 H new ATOM 121 N GLY A 51 -13.234 8.550 -8.806 1.00 0.00 N ATOM 122 CA GLY A 51 -14.284 7.966 -9.629 1.00 0.00 C ATOM 123 C GLY A 51 -15.673 8.287 -9.109 1.00 0.00 C ATOM 124 O GLY A 51 -15.871 9.305 -8.445 1.00 0.00 O ATOM 0 H GLY A 51 -13.369 9.536 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.188 8.333 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.154 6.884 -9.666 1.00 0.00 H new ATOM 128 N ASN A 52 -16.636 7.417 -9.402 1.00 0.00 N ATOM 129 CA ASN A 52 -18.010 7.620 -8.946 1.00 0.00 C ATOM 130 C ASN A 52 -18.254 6.898 -7.620 1.00 0.00 C ATOM 131 O ASN A 52 -17.515 5.980 -7.257 1.00 0.00 O ATOM 132 CB ASN A 52 -19.012 7.136 -9.999 1.00 0.00 C ATOM 133 CG ASN A 52 -18.668 7.600 -11.401 1.00 0.00 C ATOM 134 OD1 ASN A 52 -18.311 6.798 -12.259 1.00 0.00 O ATOM 135 ND2 ASN A 52 -18.776 8.898 -11.646 1.00 0.00 N ATOM 0 H ASN A 52 -16.493 6.569 -9.950 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.156 8.689 -8.793 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.051 6.047 -9.982 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.007 7.495 -9.737 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.559 9.262 -12.574 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.076 9.533 -10.907 1.00 0.00 H new ATOM 142 N PHE A 53 -19.310 7.309 -6.916 1.00 0.00 N ATOM 143 CA PHE A 53 -19.683 6.717 -5.638 1.00 0.00 C ATOM 144 C PHE A 53 -18.560 6.838 -4.597 1.00 0.00 C ATOM 145 O PHE A 53 -17.461 7.304 -4.902 1.00 0.00 O ATOM 146 CB PHE A 53 -20.082 5.258 -5.837 1.00 0.00 C ATOM 147 CG PHE A 53 -20.778 4.984 -7.145 1.00 0.00 C ATOM 148 CD1 PHE A 53 -22.032 5.515 -7.402 1.00 0.00 C ATOM 149 CD2 PHE A 53 -20.177 4.197 -8.114 1.00 0.00 C ATOM 150 CE1 PHE A 53 -22.673 5.266 -8.600 1.00 0.00 C ATOM 151 CE2 PHE A 53 -20.813 3.944 -9.314 1.00 0.00 C ATOM 152 CZ PHE A 53 -22.064 4.479 -9.558 1.00 0.00 C ATOM 0 H PHE A 53 -19.928 8.062 -7.219 1.00 0.00 H new ATOM 0 HA PHE A 53 -20.537 7.272 -5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -19.189 4.637 -5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -20.737 4.957 -5.019 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.514 6.131 -6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -19.200 3.776 -7.929 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -23.650 5.686 -8.788 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -20.333 3.329 -10.061 1.00 0.00 H new ATOM 0 HZ PHE A 53 -22.564 4.282 -10.495 1.00 0.00 H new ATOM 162 N SER A 54 -18.849 6.430 -3.361 1.00 0.00 N ATOM 163 CA SER A 54 -17.868 6.505 -2.279 1.00 0.00 C ATOM 164 C SER A 54 -18.435 5.933 -0.974 1.00 0.00 C ATOM 165 O SER A 54 -18.853 6.683 -0.089 1.00 0.00 O ATOM 166 CB SER A 54 -17.421 7.962 -2.069 1.00 0.00 C ATOM 167 OG SER A 54 -18.453 8.743 -1.476 1.00 0.00 O ATOM 0 H SER A 54 -19.752 6.045 -3.085 1.00 0.00 H new ATOM 0 HA SER A 54 -17.005 5.903 -2.564 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.536 7.984 -1.434 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.137 8.398 -3.027 1.00 0.00 H new ATOM 0 HG SER A 54 -18.658 8.391 -0.585 1.00 0.00 H new ATOM 173 N GLY A 55 -18.448 4.605 -0.860 1.00 0.00 N ATOM 174 CA GLY A 55 -18.968 3.969 0.344 1.00 0.00 C ATOM 175 C GLY A 55 -18.339 2.614 0.615 1.00 0.00 C ATOM 176 O GLY A 55 -17.737 2.019 -0.279 1.00 0.00 O ATOM 0 H GLY A 55 -18.110 3.961 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.793 4.623 1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.047 3.850 0.249 1.00 0.00 H new ATOM 180 N PRO A 56 -18.453 2.103 1.857 1.00 0.00 N ATOM 181 CA PRO A 56 -17.872 0.810 2.233 1.00 0.00 C ATOM 182 C PRO A 56 -18.562 -0.381 1.563 1.00 0.00 C ATOM 183 O PRO A 56 -17.966 -1.065 0.730 1.00 0.00 O ATOM 184 CB PRO A 56 -18.036 0.760 3.758 1.00 0.00 C ATOM 185 CG PRO A 56 -19.125 1.728 4.082 1.00 0.00 C ATOM 186 CD PRO A 56 -19.136 2.763 2.987 1.00 0.00 C ATOM 0 HA PRO A 56 -16.835 0.733 1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.295 -0.245 4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.108 1.033 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -20.087 1.220 4.142 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -18.950 2.194 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -20.153 3.053 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.615 3.671 3.292 1.00 0.00 H new ATOM 194 N TYR A 57 -19.815 -0.619 1.931 1.00 0.00 N ATOM 195 CA TYR A 57 -20.596 -1.723 1.383 1.00 0.00 C ATOM 196 C TYR A 57 -19.791 -3.034 1.405 1.00 0.00 C ATOM 197 O TYR A 57 -18.956 -3.239 2.287 1.00 0.00 O ATOM 198 CB TYR A 57 -21.059 -1.384 -0.040 1.00 0.00 C ATOM 199 CG TYR A 57 -21.423 0.072 -0.255 1.00 0.00 C ATOM 200 CD1 TYR A 57 -22.430 0.675 0.490 1.00 0.00 C ATOM 201 CD2 TYR A 57 -20.763 0.838 -1.206 1.00 0.00 C ATOM 202 CE1 TYR A 57 -22.765 2.001 0.293 1.00 0.00 C ATOM 203 CE2 TYR A 57 -21.095 2.164 -1.407 1.00 0.00 C ATOM 204 CZ TYR A 57 -22.094 2.739 -0.657 1.00 0.00 C ATOM 205 OH TYR A 57 -22.419 4.060 -0.854 1.00 0.00 O ATOM 0 H TYR A 57 -20.318 -0.054 2.616 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.477 -1.869 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -20.268 -1.654 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -21.924 -2.001 -0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -22.959 0.098 1.234 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -19.978 0.391 -1.798 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -23.549 2.456 0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -20.572 2.747 -2.151 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.851 4.435 -1.559 1.00 0.00 H new ATOM 215 N THR A 58 -20.034 -3.918 0.436 1.00 0.00 N ATOM 216 CA THR A 58 -19.318 -5.192 0.358 1.00 0.00 C ATOM 217 C THR A 58 -18.124 -5.081 -0.585 1.00 0.00 C ATOM 218 O THR A 58 -17.882 -5.972 -1.403 1.00 0.00 O ATOM 219 CB THR A 58 -20.261 -6.303 -0.115 1.00 0.00 C ATOM 220 OG1 THR A 58 -20.899 -5.935 -1.325 1.00 0.00 O ATOM 221 CG2 THR A 58 -21.344 -6.634 0.885 1.00 0.00 C ATOM 0 H THR A 58 -20.720 -3.775 -0.305 1.00 0.00 H new ATOM 0 HA THR A 58 -18.951 -5.441 1.354 1.00 0.00 H new ATOM 0 HB THR A 58 -19.629 -7.181 -0.248 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.329 -5.308 -1.818 1.00 0.00 H new ATOM 0 HG21 THR A 58 -21.976 -7.428 0.487 1.00 0.00 H new ATOM 0 HG22 THR A 58 -20.889 -6.966 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 58 -21.950 -5.747 1.072 1.00 0.00 H new ATOM 229 N TYR A 59 -17.381 -3.981 -0.478 1.00 0.00 N ATOM 230 CA TYR A 59 -16.228 -3.760 -1.332 1.00 0.00 C ATOM 231 C TYR A 59 -15.106 -3.046 -0.594 1.00 0.00 C ATOM 232 O TYR A 59 -15.322 -2.029 0.063 1.00 0.00 O ATOM 233 CB TYR A 59 -16.645 -2.944 -2.548 1.00 0.00 C ATOM 234 CG TYR A 59 -17.651 -3.651 -3.419 1.00 0.00 C ATOM 235 CD1 TYR A 59 -17.239 -4.493 -4.443 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.012 -3.487 -3.209 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.159 -5.150 -5.234 1.00 0.00 C ATOM 238 CE2 TYR A 59 -19.937 -4.141 -3.997 1.00 0.00 C ATOM 239 CZ TYR A 59 -19.504 -4.970 -5.006 1.00 0.00 C ATOM 240 OH TYR A 59 -20.420 -5.620 -5.792 1.00 0.00 O ATOM 0 H TYR A 59 -17.561 -3.233 0.192 1.00 0.00 H new ATOM 0 HA TYR A 59 -15.851 -4.733 -1.646 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -17.066 -1.995 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -15.761 -2.710 -3.141 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.184 -4.636 -4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -19.353 -2.837 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -17.825 -5.802 -6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -20.994 -4.003 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 59 -21.326 -5.387 -5.500 1.00 0.00 H new ATOM 250 N CYS A 60 -13.899 -3.568 -0.735 1.00 0.00 N ATOM 251 CA CYS A 60 -12.733 -2.963 -0.110 1.00 0.00 C ATOM 252 C CYS A 60 -12.315 -1.734 -0.905 1.00 0.00 C ATOM 253 O CYS A 60 -12.245 -1.772 -2.130 1.00 0.00 O ATOM 254 CB CYS A 60 -11.575 -3.960 -0.031 1.00 0.00 C ATOM 255 SG CYS A 60 -12.009 -5.548 0.748 1.00 0.00 S ATOM 0 H CYS A 60 -13.700 -4.409 -1.276 1.00 0.00 H new ATOM 0 HA CYS A 60 -12.993 -2.669 0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -11.206 -4.151 -1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -10.757 -3.506 0.528 1.00 0.00 H new ATOM 260 N ASN A 61 -12.059 -0.634 -0.221 1.00 0.00 N ATOM 261 CA ASN A 61 -11.672 0.595 -0.901 1.00 0.00 C ATOM 262 C ASN A 61 -10.221 0.979 -0.586 1.00 0.00 C ATOM 263 O ASN A 61 -9.587 0.383 0.287 1.00 0.00 O ATOM 264 CB ASN A 61 -12.638 1.718 -0.513 1.00 0.00 C ATOM 265 CG ASN A 61 -12.565 2.064 0.964 1.00 0.00 C ATOM 266 OD1 ASN A 61 -12.701 1.194 1.823 1.00 0.00 O ATOM 267 ND2 ASN A 61 -12.355 3.334 1.269 1.00 0.00 N ATOM 0 H ASN A 61 -12.110 -0.563 0.795 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.730 0.432 -1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.412 2.607 -1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.656 1.420 -0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.301 3.622 2.246 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.247 4.026 0.527 1.00 0.00 H new ATOM 274 N THR A 62 -9.700 1.967 -1.321 1.00 0.00 N ATOM 275 CA THR A 62 -8.318 2.442 -1.149 1.00 0.00 C ATOM 276 C THR A 62 -7.841 2.372 0.303 1.00 0.00 C ATOM 277 O THR A 62 -8.372 3.066 1.173 1.00 0.00 O ATOM 278 CB THR A 62 -8.163 3.897 -1.625 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.078 4.765 -0.974 1.00 0.00 O ATOM 280 CG2 THR A 62 -8.351 4.087 -3.111 1.00 0.00 C ATOM 0 H THR A 62 -10.219 2.459 -2.048 1.00 0.00 H new ATOM 0 HA THR A 62 -7.707 1.773 -1.755 1.00 0.00 H new ATOM 0 HB THR A 62 -7.133 4.144 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.165 4.503 -0.034 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.225 5.140 -3.362 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.612 3.495 -3.650 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.352 3.763 -3.395 1.00 0.00 H new ATOM 288 N THR A 63 -6.811 1.570 0.553 1.00 0.00 N ATOM 289 CA THR A 63 -6.242 1.458 1.895 1.00 0.00 C ATOM 290 C THR A 63 -4.735 1.702 1.851 1.00 0.00 C ATOM 291 O THR A 63 -4.049 1.246 0.932 1.00 0.00 O ATOM 292 CB THR A 63 -6.563 0.094 2.519 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.576 0.228 3.504 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.385 -0.578 3.186 1.00 0.00 C ATOM 0 H THR A 63 -6.354 0.990 -0.151 1.00 0.00 H new ATOM 0 HA THR A 63 -6.696 2.222 2.527 1.00 0.00 H new ATOM 0 HB THR A 63 -6.879 -0.526 1.680 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.101 -0.598 3.548 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.699 -1.536 3.600 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.596 -0.741 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.009 0.058 3.987 1.00 0.00 H new ATOM 302 N LEU A 64 -4.232 2.438 2.838 1.00 0.00 N ATOM 303 CA LEU A 64 -2.808 2.760 2.908 1.00 0.00 C ATOM 304 C LEU A 64 -2.037 1.747 3.762 1.00 0.00 C ATOM 305 O LEU A 64 -2.627 0.834 4.346 1.00 0.00 O ATOM 306 CB LEU A 64 -2.618 4.178 3.453 1.00 0.00 C ATOM 307 CG LEU A 64 -1.724 5.083 2.602 1.00 0.00 C ATOM 308 CD1 LEU A 64 -2.539 5.809 1.545 1.00 0.00 C ATOM 309 CD2 LEU A 64 -0.993 6.081 3.483 1.00 0.00 C ATOM 0 H LEU A 64 -4.789 2.823 3.601 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.403 2.707 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.597 4.648 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.194 4.112 4.455 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.989 4.458 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.882 6.446 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.022 5.080 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.299 6.422 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.361 6.718 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.718 6.697 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.374 5.546 4.203 1.00 0.00 H new ATOM 321 N ASP A 65 -0.713 1.911 3.809 1.00 0.00 N ATOM 322 CA ASP A 65 0.160 1.012 4.566 1.00 0.00 C ATOM 323 C ASP A 65 1.375 1.758 5.144 1.00 0.00 C ATOM 324 O ASP A 65 1.684 2.874 4.721 1.00 0.00 O ATOM 325 CB ASP A 65 0.622 -0.125 3.648 1.00 0.00 C ATOM 326 CG ASP A 65 0.094 -1.479 4.068 1.00 0.00 C ATOM 327 OD1 ASP A 65 0.041 -1.749 5.283 1.00 0.00 O ATOM 328 OD2 ASP A 65 -0.248 -2.277 3.174 1.00 0.00 O ATOM 0 H ASP A 65 -0.220 2.663 3.328 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.402 0.606 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.298 0.085 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.712 -0.154 3.636 1.00 0.00 H new ATOM 333 N GLN A 66 2.059 1.129 6.110 1.00 0.00 N ATOM 334 CA GLN A 66 3.246 1.724 6.752 1.00 0.00 C ATOM 335 C GLN A 66 4.292 2.157 5.719 1.00 0.00 C ATOM 336 O GLN A 66 4.730 3.308 5.711 1.00 0.00 O ATOM 337 CB GLN A 66 3.860 0.736 7.751 1.00 0.00 C ATOM 338 CG GLN A 66 4.361 1.405 9.029 1.00 0.00 C ATOM 339 CD GLN A 66 5.807 1.864 8.944 1.00 0.00 C ATOM 340 OE1 GLN A 66 6.243 2.406 7.934 1.00 0.00 O ATOM 341 NE2 GLN A 66 6.561 1.652 10.012 1.00 0.00 N ATOM 0 H GLN A 66 1.812 0.206 6.467 1.00 0.00 H new ATOM 0 HA GLN A 66 2.921 2.617 7.286 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.116 -0.017 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.689 0.214 7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.728 2.264 9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.257 0.707 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.164 1.198 10.835 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.539 1.943 10.012 1.00 0.00 H new ATOM 350 N ILE A 67 4.675 1.228 4.843 1.00 0.00 N ATOM 351 CA ILE A 67 5.661 1.507 3.792 1.00 0.00 C ATOM 352 C ILE A 67 5.085 2.424 2.699 1.00 0.00 C ATOM 353 O ILE A 67 5.822 2.922 1.845 1.00 0.00 O ATOM 354 CB ILE A 67 6.165 0.184 3.155 1.00 0.00 C ATOM 355 CG1 ILE A 67 7.104 -0.546 4.118 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.869 0.431 1.825 1.00 0.00 C ATOM 357 CD1 ILE A 67 7.267 -2.014 3.796 1.00 0.00 C ATOM 0 H ILE A 67 4.318 0.273 4.838 1.00 0.00 H new ATOM 0 HA ILE A 67 6.498 2.025 4.261 1.00 0.00 H new ATOM 0 HB ILE A 67 5.293 -0.440 2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.082 -0.065 4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.722 -0.444 5.134 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.207 -0.519 1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.176 0.905 1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.727 1.084 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.945 -2.471 4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.296 -2.508 3.847 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.677 -2.123 2.792 1.00 0.00 H new ATOM 369 N GLY A 68 3.768 2.648 2.728 1.00 0.00 N ATOM 370 CA GLY A 68 3.127 3.498 1.734 1.00 0.00 C ATOM 371 C GLY A 68 2.406 2.706 0.654 1.00 0.00 C ATOM 372 O GLY A 68 2.041 3.256 -0.386 1.00 0.00 O ATOM 0 H GLY A 68 3.134 2.255 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.415 4.156 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.879 4.135 1.269 1.00 0.00 H new ATOM 376 N THR A 69 2.198 1.410 0.894 1.00 0.00 N ATOM 377 CA THR A 69 1.521 0.549 -0.073 1.00 0.00 C ATOM 378 C THR A 69 0.033 0.891 -0.170 1.00 0.00 C ATOM 379 O THR A 69 -0.770 0.508 0.680 1.00 0.00 O ATOM 380 CB THR A 69 1.716 -0.929 0.287 1.00 0.00 C ATOM 381 OG1 THR A 69 3.095 -1.256 0.315 1.00 0.00 O ATOM 382 CG2 THR A 69 1.049 -1.876 -0.687 1.00 0.00 C ATOM 0 H THR A 69 2.489 0.936 1.749 1.00 0.00 H new ATOM 0 HA THR A 69 1.969 0.726 -1.051 1.00 0.00 H new ATOM 0 HB THR A 69 1.254 -1.051 1.267 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.202 -2.202 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.226 -2.905 -0.373 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.023 -1.682 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.463 -1.724 -1.684 1.00 0.00 H new ATOM 390 N CYS A 70 -0.319 1.621 -1.222 1.00 0.00 N ATOM 391 CA CYS A 70 -1.702 2.024 -1.453 1.00 0.00 C ATOM 392 C CYS A 70 -2.484 0.907 -2.143 1.00 0.00 C ATOM 393 O CYS A 70 -2.232 0.589 -3.307 1.00 0.00 O ATOM 394 CB CYS A 70 -1.742 3.295 -2.303 1.00 0.00 C ATOM 395 SG CYS A 70 -3.407 3.753 -2.879 1.00 0.00 S ATOM 0 H CYS A 70 0.337 1.947 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.168 2.224 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.330 4.121 -1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.094 3.160 -3.169 1.00 0.00 H new ATOM 400 N TRP A 71 -3.428 0.315 -1.416 1.00 0.00 N ATOM 401 CA TRP A 71 -4.247 -0.767 -1.957 1.00 0.00 C ATOM 402 C TRP A 71 -5.557 -0.221 -2.534 1.00 0.00 C ATOM 403 O TRP A 71 -6.395 0.296 -1.794 1.00 0.00 O ATOM 404 CB TRP A 71 -4.529 -1.811 -0.875 1.00 0.00 C ATOM 405 CG TRP A 71 -3.285 -2.391 -0.271 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.600 -1.920 0.816 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.571 -3.552 -0.718 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.515 -2.715 1.069 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.472 -3.721 0.143 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.753 -4.464 -1.762 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.565 -4.764 -0.002 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.849 -5.503 -1.906 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.766 -5.645 -1.032 1.00 0.00 C ATOM 0 H TRP A 71 -3.645 0.566 -0.451 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.695 -1.245 -2.766 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.128 -1.355 -0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.126 -2.616 -1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.875 -1.048 1.391 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.846 -2.579 1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.584 -4.360 -2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.270 -4.876 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.982 -6.216 -2.706 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -0.076 -6.464 -1.172 1.00 0.00 H new ATOM 424 N PRO A 72 -5.739 -0.311 -3.872 1.00 0.00 N ATOM 425 CA PRO A 72 -6.946 0.197 -4.557 1.00 0.00 C ATOM 426 C PRO A 72 -8.233 -0.569 -4.211 1.00 0.00 C ATOM 427 O PRO A 72 -8.216 -1.521 -3.425 1.00 0.00 O ATOM 428 CB PRO A 72 -6.604 0.029 -6.043 1.00 0.00 C ATOM 429 CG PRO A 72 -5.584 -1.055 -6.080 1.00 0.00 C ATOM 430 CD PRO A 72 -4.774 -0.896 -4.826 1.00 0.00 C ATOM 0 HA PRO A 72 -7.164 1.222 -4.255 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.487 -0.239 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.213 0.954 -6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.057 -2.036 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.955 -0.970 -6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.388 -1.852 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.915 -0.243 -4.981 1.00 0.00 H new ATOM 438 N GLN A 73 -9.354 -0.125 -4.802 1.00 0.00 N ATOM 439 CA GLN A 73 -10.665 -0.741 -4.569 1.00 0.00 C ATOM 440 C GLN A 73 -10.653 -2.246 -4.828 1.00 0.00 C ATOM 441 O GLN A 73 -9.939 -2.741 -5.702 1.00 0.00 O ATOM 442 CB GLN A 73 -11.741 -0.075 -5.436 1.00 0.00 C ATOM 443 CG GLN A 73 -12.936 0.419 -4.634 1.00 0.00 C ATOM 444 CD GLN A 73 -12.810 1.864 -4.218 1.00 0.00 C ATOM 445 OE1 GLN A 73 -11.601 2.284 -3.903 1.00 0.00 O flip ATOM 446 NE2 GLN A 73 -13.792 2.600 -4.180 1.00 0.00 N flip ATOM 0 H GLN A 73 -9.375 0.664 -5.448 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.901 -0.586 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.298 0.765 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.085 -0.786 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.841 0.295 -5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.051 -0.201 -3.745 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.711 2.237 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.688 3.574 -3.897 1.00 0.00 H new ATOM 455 N SER A 74 -11.449 -2.958 -4.046 1.00 0.00 N ATOM 456 CA SER A 74 -11.547 -4.420 -4.153 1.00 0.00 C ATOM 457 C SER A 74 -12.824 -4.956 -3.486 1.00 0.00 C ATOM 458 O SER A 74 -13.779 -4.208 -3.278 1.00 0.00 O ATOM 459 CB SER A 74 -10.305 -5.051 -3.518 1.00 0.00 C ATOM 460 OG SER A 74 -9.665 -5.927 -4.424 1.00 0.00 O ATOM 0 H SER A 74 -12.043 -2.552 -3.323 1.00 0.00 H new ATOM 0 HA SER A 74 -11.601 -4.688 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.611 -4.268 -3.211 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.589 -5.596 -2.618 1.00 0.00 H new ATOM 0 HG SER A 74 -9.641 -6.830 -4.044 1.00 0.00 H new ATOM 466 N ALA A 75 -12.844 -6.251 -3.150 1.00 0.00 N ATOM 467 CA ALA A 75 -14.017 -6.857 -2.505 1.00 0.00 C ATOM 468 C ALA A 75 -13.641 -8.080 -1.653 1.00 0.00 C ATOM 469 O ALA A 75 -12.510 -8.565 -1.713 1.00 0.00 O ATOM 470 CB ALA A 75 -15.058 -7.228 -3.552 1.00 0.00 C ATOM 0 H ALA A 75 -12.070 -6.895 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.442 -6.116 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.923 -7.676 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.369 -6.332 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.629 -7.942 -4.255 1.00 0.00 H new ATOM 476 N PRO A 76 -14.593 -8.586 -0.836 1.00 0.00 N ATOM 477 CA PRO A 76 -14.360 -9.750 0.035 1.00 0.00 C ATOM 478 C PRO A 76 -14.000 -11.016 -0.745 1.00 0.00 C ATOM 479 O PRO A 76 -14.524 -11.256 -1.836 1.00 0.00 O ATOM 480 CB PRO A 76 -15.696 -9.931 0.771 1.00 0.00 C ATOM 481 CG PRO A 76 -16.699 -9.195 -0.048 1.00 0.00 C ATOM 482 CD PRO A 76 -15.961 -8.058 -0.687 1.00 0.00 C ATOM 0 HA PRO A 76 -13.513 -9.585 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.957 -10.986 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.645 -9.530 1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.140 -9.847 -0.803 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.516 -8.829 0.573 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.395 -7.786 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.982 -7.164 -0.064 1.00 0.00 H new ATOM 490 N GLY A 77 -13.098 -11.817 -0.175 1.00 0.00 N ATOM 491 CA GLY A 77 -12.668 -13.052 -0.825 1.00 0.00 C ATOM 492 C GLY A 77 -11.849 -12.798 -2.083 1.00 0.00 C ATOM 493 O GLY A 77 -11.879 -13.598 -3.018 1.00 0.00 O ATOM 0 H GLY A 77 -12.656 -11.634 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.076 -13.640 -0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.544 -13.648 -1.081 1.00 0.00 H new ATOM 497 N ALA A 78 -11.129 -11.674 -2.109 1.00 0.00 N ATOM 498 CA ALA A 78 -10.315 -11.309 -3.264 1.00 0.00 C ATOM 499 C ALA A 78 -8.824 -11.304 -2.937 1.00 0.00 C ATOM 500 O ALA A 78 -8.343 -10.461 -2.169 1.00 0.00 O ATOM 501 CB ALA A 78 -10.737 -9.946 -3.794 1.00 0.00 C ATOM 0 H ALA A 78 -11.095 -11.003 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.480 -12.066 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.123 -9.684 -4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.785 -9.980 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.606 -9.196 -3.014 1.00 0.00 H new ATOM 507 N LEU A 79 -8.095 -12.236 -3.547 1.00 0.00 N ATOM 508 CA LEU A 79 -6.655 -12.335 -3.354 1.00 0.00 C ATOM 509 C LEU A 79 -5.959 -11.198 -4.091 1.00 0.00 C ATOM 510 O LEU A 79 -5.740 -11.272 -5.298 1.00 0.00 O ATOM 511 CB LEU A 79 -6.147 -13.692 -3.853 1.00 0.00 C ATOM 512 CG LEU A 79 -4.716 -14.049 -3.449 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.682 -14.579 -2.026 1.00 0.00 C ATOM 514 CD2 LEU A 79 -4.136 -15.074 -4.409 1.00 0.00 C ATOM 0 H LEU A 79 -8.482 -12.935 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.429 -12.255 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.815 -14.469 -3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.213 -13.707 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.108 -13.146 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.656 -14.828 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.063 -13.818 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.303 -15.472 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.117 -15.318 -4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.746 -15.977 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.128 -14.663 -5.419 1.00 0.00 H new ATOM 526 N VAL A 80 -5.631 -10.142 -3.357 1.00 0.00 N ATOM 527 CA VAL A 80 -4.970 -8.984 -3.939 1.00 0.00 C ATOM 528 C VAL A 80 -3.458 -9.088 -3.746 1.00 0.00 C ATOM 529 O VAL A 80 -2.915 -8.710 -2.703 1.00 0.00 O ATOM 530 CB VAL A 80 -5.514 -7.671 -3.333 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.741 -6.470 -3.852 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.993 -7.521 -3.644 1.00 0.00 C ATOM 0 H VAL A 80 -5.813 -10.065 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.183 -8.967 -5.008 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.384 -7.716 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.144 -5.559 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.690 -6.570 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.834 -6.419 -4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.363 -6.592 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.137 -7.501 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.541 -8.362 -3.220 1.00 0.00 H new ATOM 542 N GLU A 81 -2.792 -9.635 -4.759 1.00 0.00 N ATOM 543 CA GLU A 81 -1.344 -9.832 -4.722 1.00 0.00 C ATOM 544 C GLU A 81 -0.595 -8.717 -5.452 1.00 0.00 C ATOM 545 O GLU A 81 -1.124 -8.085 -6.369 1.00 0.00 O ATOM 546 CB GLU A 81 -0.984 -11.193 -5.332 1.00 0.00 C ATOM 547 CG GLU A 81 -1.302 -11.307 -6.818 1.00 0.00 C ATOM 548 CD GLU A 81 -2.728 -11.744 -7.076 1.00 0.00 C ATOM 549 OE1 GLU A 81 -2.977 -12.966 -7.119 1.00 0.00 O ATOM 550 OE2 GLU A 81 -3.597 -10.859 -7.225 1.00 0.00 O ATOM 0 H GLU A 81 -3.235 -9.952 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.035 -9.805 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.080 -11.377 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.521 -11.975 -4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.129 -10.344 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.618 -12.020 -7.278 1.00 0.00 H new ATOM 557 N ARG A 82 0.645 -8.482 -5.033 1.00 0.00 N ATOM 558 CA ARG A 82 1.481 -7.444 -5.635 1.00 0.00 C ATOM 559 C ARG A 82 2.934 -7.572 -5.178 1.00 0.00 C ATOM 560 O ARG A 82 3.195 -7.839 -4.005 1.00 0.00 O ATOM 561 CB ARG A 82 0.948 -6.061 -5.254 1.00 0.00 C ATOM 562 CG ARG A 82 0.490 -5.233 -6.439 1.00 0.00 C ATOM 563 CD ARG A 82 0.999 -3.803 -6.344 1.00 0.00 C ATOM 564 NE ARG A 82 0.291 -3.032 -5.313 1.00 0.00 N ATOM 565 CZ ARG A 82 0.657 -1.821 -4.903 1.00 0.00 C ATOM 566 NH1 ARG A 82 1.753 -1.259 -5.374 1.00 0.00 N ATOM 567 NH2 ARG A 82 -0.072 -1.174 -4.017 1.00 0.00 N ATOM 0 H ARG A 82 1.096 -8.997 -4.277 1.00 0.00 H new ATOM 0 HA ARG A 82 1.446 -7.568 -6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.114 -6.181 -4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.727 -5.516 -4.721 1.00 0.00 H new ATOM 0 HG2 ARG A 82 0.847 -5.688 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.599 -5.231 -6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.066 -3.812 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.880 -3.311 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.534 -3.452 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.326 -1.753 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.027 -0.330 -5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -0.919 -1.602 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.211 -0.245 -3.704 1.00 0.00 H new ATOM 581 N PRO A 83 3.907 -7.368 -6.087 1.00 0.00 N ATOM 582 CA PRO A 83 5.326 -7.443 -5.731 1.00 0.00 C ATOM 583 C PRO A 83 5.710 -6.292 -4.805 1.00 0.00 C ATOM 584 O PRO A 83 5.500 -5.123 -5.133 1.00 0.00 O ATOM 585 CB PRO A 83 6.046 -7.335 -7.075 1.00 0.00 C ATOM 586 CG PRO A 83 5.087 -6.616 -7.962 1.00 0.00 C ATOM 587 CD PRO A 83 3.711 -7.030 -7.510 1.00 0.00 C ATOM 0 HA PRO A 83 5.582 -8.356 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.983 -6.787 -6.979 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.291 -8.320 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.216 -5.537 -7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.250 -6.879 -9.007 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.987 -6.225 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.341 -7.883 -8.079 1.00 0.00 H new ATOM 595 N CYS A 84 6.240 -6.626 -3.636 1.00 0.00 N ATOM 596 CA CYS A 84 6.621 -5.612 -2.653 1.00 0.00 C ATOM 597 C CYS A 84 7.786 -4.746 -3.153 1.00 0.00 C ATOM 598 O CYS A 84 8.654 -5.214 -3.890 1.00 0.00 O ATOM 599 CB CYS A 84 6.980 -6.269 -1.318 1.00 0.00 C ATOM 600 SG CYS A 84 8.692 -6.873 -1.219 1.00 0.00 S ATOM 0 H CYS A 84 6.417 -7.587 -3.343 1.00 0.00 H new ATOM 0 HA CYS A 84 5.762 -4.957 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 84 6.814 -5.550 -0.516 1.00 0.00 H new ATOM 0 HB3 CYS A 84 6.302 -7.104 -1.143 1.00 0.00 H new ATOM 605 N PRO A 85 7.815 -3.456 -2.756 1.00 0.00 N ATOM 606 CA PRO A 85 8.874 -2.523 -3.168 1.00 0.00 C ATOM 607 C PRO A 85 10.215 -2.778 -2.464 1.00 0.00 C ATOM 608 O PRO A 85 10.691 -1.947 -1.686 1.00 0.00 O ATOM 609 CB PRO A 85 8.307 -1.157 -2.771 1.00 0.00 C ATOM 610 CG PRO A 85 7.407 -1.447 -1.621 1.00 0.00 C ATOM 611 CD PRO A 85 6.816 -2.805 -1.882 1.00 0.00 C ATOM 0 HA PRO A 85 9.105 -2.620 -4.229 1.00 0.00 H new ATOM 0 HB2 PRO A 85 9.100 -0.465 -2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 85 7.762 -0.699 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.960 -1.437 -0.682 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.625 -0.692 -1.538 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.668 -3.363 -0.957 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.844 -2.732 -2.369 1.00 0.00 H new ATOM 619 N GLU A 86 10.825 -3.929 -2.747 1.00 0.00 N ATOM 620 CA GLU A 86 12.117 -4.287 -2.148 1.00 0.00 C ATOM 621 C GLU A 86 13.220 -3.312 -2.556 1.00 0.00 C ATOM 622 O GLU A 86 14.185 -3.110 -1.815 1.00 0.00 O ATOM 623 CB GLU A 86 12.516 -5.707 -2.551 1.00 0.00 C ATOM 624 CG GLU A 86 11.665 -6.770 -1.884 1.00 0.00 C ATOM 625 CD GLU A 86 11.326 -7.920 -2.803 1.00 0.00 C ATOM 626 OE1 GLU A 86 10.676 -7.691 -3.838 1.00 0.00 O ATOM 627 OE2 GLU A 86 11.741 -9.057 -2.487 1.00 0.00 O ATOM 0 H GLU A 86 10.449 -4.630 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 86 11.998 -4.233 -1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.434 -5.809 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.562 -5.872 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.192 -7.154 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.742 -6.315 -1.525 1.00 0.00 H new ATOM 634 N TYR A 87 13.079 -2.712 -3.740 1.00 0.00 N ATOM 635 CA TYR A 87 14.068 -1.763 -4.244 1.00 0.00 C ATOM 636 C TYR A 87 14.013 -0.439 -3.458 1.00 0.00 C ATOM 637 O TYR A 87 13.764 0.628 -4.020 1.00 0.00 O ATOM 638 CB TYR A 87 13.850 -1.515 -5.748 1.00 0.00 C ATOM 639 CG TYR A 87 14.213 -2.691 -6.648 1.00 0.00 C ATOM 640 CD1 TYR A 87 14.150 -4.008 -6.195 1.00 0.00 C ATOM 641 CD2 TYR A 87 14.610 -2.476 -7.964 1.00 0.00 C ATOM 642 CE1 TYR A 87 14.473 -5.068 -7.026 1.00 0.00 C ATOM 643 CE2 TYR A 87 14.935 -3.533 -8.798 1.00 0.00 C ATOM 644 CZ TYR A 87 14.864 -4.825 -8.323 1.00 0.00 C ATOM 645 OH TYR A 87 15.186 -5.878 -9.149 1.00 0.00 O ATOM 0 H TYR A 87 12.289 -2.868 -4.366 1.00 0.00 H new ATOM 0 HA TYR A 87 15.060 -2.193 -4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.803 -1.259 -5.912 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.440 -0.649 -6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.844 -4.205 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.666 -1.466 -8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.418 -6.082 -6.657 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.243 -3.346 -9.816 1.00 0.00 H new ATOM 0 HH TYR A 87 14.646 -6.660 -8.908 1.00 0.00 H new ATOM 655 N PHE A 88 14.267 -0.528 -2.148 1.00 0.00 N ATOM 656 CA PHE A 88 14.265 0.642 -1.259 1.00 0.00 C ATOM 657 C PHE A 88 15.658 1.289 -1.189 1.00 0.00 C ATOM 658 O PHE A 88 15.975 2.002 -0.232 1.00 0.00 O ATOM 659 CB PHE A 88 13.829 0.212 0.149 1.00 0.00 C ATOM 660 CG PHE A 88 12.680 0.993 0.726 1.00 0.00 C ATOM 661 CD1 PHE A 88 12.543 2.352 0.487 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.739 0.360 1.521 1.00 0.00 C ATOM 663 CE1 PHE A 88 11.486 3.062 1.028 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.683 1.063 2.066 1.00 0.00 C ATOM 665 CZ PHE A 88 10.555 2.416 1.820 1.00 0.00 C ATOM 0 H PHE A 88 14.479 -1.407 -1.675 1.00 0.00 H new ATOM 0 HA PHE A 88 13.566 1.377 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.554 -0.842 0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.683 0.302 0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.270 2.862 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.832 -0.698 1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.388 4.120 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.958 0.555 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.730 2.968 2.245 1.00 0.00 H new ATOM 675 N ASN A 89 16.484 1.023 -2.201 1.00 0.00 N ATOM 676 CA ASN A 89 17.845 1.556 -2.265 1.00 0.00 C ATOM 677 C ASN A 89 18.539 1.091 -3.545 1.00 0.00 C ATOM 678 O ASN A 89 19.176 1.881 -4.241 1.00 0.00 O ATOM 679 CB ASN A 89 18.650 1.097 -1.042 1.00 0.00 C ATOM 680 CG ASN A 89 19.299 2.251 -0.309 1.00 0.00 C ATOM 681 OD1 ASN A 89 20.463 2.567 -0.533 1.00 0.00 O ATOM 682 ND2 ASN A 89 18.546 2.894 0.569 1.00 0.00 N ATOM 0 H ASN A 89 16.231 0.435 -2.995 1.00 0.00 H new ATOM 0 HA ASN A 89 17.791 2.645 -2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.992 0.561 -0.358 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.420 0.394 -1.361 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.930 3.684 1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.582 2.600 0.726 1.00 0.00 H new ATOM 689 N GLY A 90 18.405 -0.203 -3.839 1.00 0.00 N ATOM 690 CA GLY A 90 19.015 -0.785 -5.026 1.00 0.00 C ATOM 691 C GLY A 90 19.566 -2.165 -4.746 1.00 0.00 C ATOM 692 O GLY A 90 20.752 -2.426 -4.964 1.00 0.00 O ATOM 0 H GLY A 90 17.878 -0.865 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.276 -0.842 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.817 -0.137 -5.379 1.00 0.00 H new ATOM 696 N ILE A 91 18.703 -3.048 -4.241 1.00 0.00 N ATOM 697 CA ILE A 91 19.107 -4.408 -3.905 1.00 0.00 C ATOM 698 C ILE A 91 18.240 -5.458 -4.603 1.00 0.00 C ATOM 699 O ILE A 91 17.044 -5.261 -4.822 1.00 0.00 O ATOM 700 CB ILE A 91 19.087 -4.641 -2.381 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.617 -6.036 -2.046 1.00 0.00 C ATOM 702 CG2 ILE A 91 17.683 -4.451 -1.812 1.00 0.00 C ATOM 703 CD1 ILE A 91 20.443 -6.080 -0.785 1.00 0.00 C ATOM 0 H ILE A 91 17.721 -2.843 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 91 20.129 -4.522 -4.265 1.00 0.00 H new ATOM 0 HB ILE A 91 19.739 -3.900 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 91 18.775 -6.721 -1.943 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.221 -6.396 -2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.700 -4.622 -0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.344 -3.435 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 91 17.001 -5.161 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 91 20.785 -7.100 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 91 21.305 -5.421 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 91 19.837 -5.751 0.059 1.00 0.00 H new ATOM 715 N LYS A 92 18.891 -6.563 -4.955 1.00 0.00 N ATOM 716 CA LYS A 92 18.269 -7.685 -5.652 1.00 0.00 C ATOM 717 C LYS A 92 18.254 -7.439 -7.156 1.00 0.00 C ATOM 718 O LYS A 92 18.117 -6.307 -7.619 1.00 0.00 O ATOM 719 CB LYS A 92 16.861 -7.998 -5.145 1.00 0.00 C ATOM 720 CG LYS A 92 16.305 -9.283 -5.737 1.00 0.00 C ATOM 721 CD LYS A 92 15.581 -10.112 -4.694 1.00 0.00 C ATOM 722 CE LYS A 92 14.221 -9.525 -4.369 1.00 0.00 C ATOM 723 NZ LYS A 92 14.182 -8.977 -2.999 1.00 0.00 N ATOM 0 H LYS A 92 19.882 -6.706 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 92 18.879 -8.562 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.879 -8.080 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 92 16.196 -7.170 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.621 -9.043 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.118 -9.868 -6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.461 -11.133 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.183 -10.165 -3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.983 -8.737 -5.084 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.456 -10.294 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.296 -9.263 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.990 -9.342 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.233 -7.939 -3.039 1.00 0.00 H new ATOM 737 N TYR A 93 18.434 -8.517 -7.911 1.00 0.00 N ATOM 738 CA TYR A 93 18.490 -8.441 -9.368 1.00 0.00 C ATOM 739 C TYR A 93 17.737 -9.617 -10.005 1.00 0.00 C ATOM 740 O TYR A 93 18.183 -10.205 -10.991 1.00 0.00 O ATOM 741 CB TYR A 93 19.967 -8.404 -9.805 1.00 0.00 C ATOM 742 CG TYR A 93 20.815 -7.459 -8.963 1.00 0.00 C ATOM 743 CD1 TYR A 93 21.107 -7.752 -7.632 1.00 0.00 C ATOM 744 CD2 TYR A 93 21.303 -6.268 -9.489 1.00 0.00 C ATOM 745 CE1 TYR A 93 21.857 -6.889 -6.855 1.00 0.00 C ATOM 746 CE2 TYR A 93 22.054 -5.400 -8.715 1.00 0.00 C ATOM 747 CZ TYR A 93 22.326 -5.716 -7.400 1.00 0.00 C ATOM 748 OH TYR A 93 23.070 -4.854 -6.628 1.00 0.00 O ATOM 0 H TYR A 93 18.544 -9.459 -7.536 1.00 0.00 H new ATOM 0 HA TYR A 93 17.998 -7.531 -9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 93 20.383 -9.409 -9.743 1.00 0.00 H new ATOM 0 HB3 TYR A 93 20.023 -8.100 -10.850 1.00 0.00 H new ATOM 0 HD1 TYR A 93 20.740 -8.671 -7.199 1.00 0.00 H new ATOM 0 HD2 TYR A 93 21.093 -6.016 -10.518 1.00 0.00 H new ATOM 0 HE1 TYR A 93 22.074 -7.134 -5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 93 22.426 -4.479 -9.139 1.00 0.00 H new ATOM 0 HH TYR A 93 23.325 -4.073 -7.163 1.00 0.00 H new ATOM 758 N ASN A 94 16.584 -9.936 -9.418 1.00 0.00 N ATOM 759 CA ASN A 94 15.720 -11.026 -9.882 1.00 0.00 C ATOM 760 C ASN A 94 14.290 -10.787 -9.389 1.00 0.00 C ATOM 761 O ASN A 94 13.380 -10.556 -10.182 1.00 0.00 O ATOM 762 CB ASN A 94 16.243 -12.375 -9.372 1.00 0.00 C ATOM 763 CG ASN A 94 15.683 -13.550 -10.151 1.00 0.00 C ATOM 764 OD1 ASN A 94 15.506 -13.477 -11.362 1.00 0.00 O ATOM 765 ND2 ASN A 94 15.404 -14.644 -9.459 1.00 0.00 N ATOM 0 H ASN A 94 16.219 -9.444 -8.602 1.00 0.00 H new ATOM 0 HA ASN A 94 15.724 -11.049 -10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 94 17.331 -12.387 -9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.985 -12.486 -8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 94 15.028 -15.465 -9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.565 -14.666 -8.452 1.00 0.00 H new ATOM 772 N THR A 95 14.126 -10.790 -8.062 1.00 0.00 N ATOM 773 CA THR A 95 12.838 -10.519 -7.419 1.00 0.00 C ATOM 774 C THR A 95 11.738 -11.520 -7.810 1.00 0.00 C ATOM 775 O THR A 95 10.985 -11.288 -8.753 1.00 0.00 O ATOM 776 CB THR A 95 12.395 -9.087 -7.754 1.00 0.00 C ATOM 777 OG1 THR A 95 13.447 -8.348 -8.358 1.00 0.00 O ATOM 778 CG2 THR A 95 11.951 -8.295 -6.549 1.00 0.00 C ATOM 0 H THR A 95 14.882 -10.980 -7.405 1.00 0.00 H new ATOM 0 HA THR A 95 12.985 -10.633 -6.345 1.00 0.00 H new ATOM 0 HB THR A 95 11.552 -9.216 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.326 -8.342 -9.331 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.653 -7.294 -6.861 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.106 -8.795 -6.076 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.774 -8.223 -5.838 1.00 0.00 H new ATOM 786 N THR A 96 11.627 -12.624 -7.055 1.00 0.00 N ATOM 787 CA THR A 96 10.588 -13.640 -7.316 1.00 0.00 C ATOM 788 C THR A 96 9.596 -13.752 -6.148 1.00 0.00 C ATOM 789 O THR A 96 8.932 -14.778 -5.994 1.00 0.00 O ATOM 790 CB THR A 96 11.197 -15.029 -7.572 1.00 0.00 C ATOM 791 OG1 THR A 96 12.543 -14.939 -8.013 1.00 0.00 O ATOM 792 CG2 THR A 96 10.423 -15.840 -8.595 1.00 0.00 C ATOM 0 H THR A 96 12.236 -12.838 -6.265 1.00 0.00 H new ATOM 0 HA THR A 96 10.061 -13.306 -8.210 1.00 0.00 H new ATOM 0 HB THR A 96 11.147 -15.537 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.899 -15.840 -8.164 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.904 -16.809 -8.730 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.401 -15.988 -8.245 1.00 0.00 H new ATOM 0 HG23 THR A 96 10.407 -15.307 -9.546 1.00 0.00 H new ATOM 800 N ARG A 97 9.502 -12.710 -5.320 1.00 0.00 N ATOM 801 CA ARG A 97 8.592 -12.729 -4.173 1.00 0.00 C ATOM 802 C ARG A 97 7.341 -11.880 -4.445 1.00 0.00 C ATOM 803 O ARG A 97 7.318 -11.061 -5.365 1.00 0.00 O ATOM 804 CB ARG A 97 9.314 -12.246 -2.905 1.00 0.00 C ATOM 805 CG ARG A 97 10.747 -12.757 -2.771 1.00 0.00 C ATOM 806 CD ARG A 97 10.798 -14.264 -2.538 1.00 0.00 C ATOM 807 NE ARG A 97 11.552 -14.959 -3.595 1.00 0.00 N ATOM 808 CZ ARG A 97 12.604 -15.756 -3.389 1.00 0.00 C ATOM 809 NH1 ARG A 97 13.039 -16.009 -2.170 1.00 0.00 N ATOM 810 NH2 ARG A 97 13.223 -16.302 -4.420 1.00 0.00 N ATOM 0 H ARG A 97 10.040 -11.849 -5.420 1.00 0.00 H new ATOM 0 HA ARG A 97 8.268 -13.758 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.326 -11.156 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 97 8.743 -12.563 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.305 -12.511 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.238 -12.246 -1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 97 11.259 -14.466 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 97 9.783 -14.659 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 97 11.247 -14.821 -4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.570 -15.594 -1.365 1.00 0.00 H new ATOM 0 HH12 ARG A 97 13.844 -16.620 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.897 -16.114 -5.368 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.027 -16.911 -4.268 1.00 0.00 H new ATOM 824 N ASN A 98 6.295 -12.101 -3.650 1.00 0.00 N ATOM 825 CA ASN A 98 5.030 -11.379 -3.812 1.00 0.00 C ATOM 826 C ASN A 98 4.379 -11.027 -2.469 1.00 0.00 C ATOM 827 O ASN A 98 4.748 -11.559 -1.419 1.00 0.00 O ATOM 828 CB ASN A 98 4.053 -12.229 -4.631 1.00 0.00 C ATOM 829 CG ASN A 98 3.929 -11.781 -6.074 1.00 0.00 C ATOM 830 OD1 ASN A 98 4.333 -12.492 -6.987 1.00 0.00 O ATOM 831 ND2 ASN A 98 3.361 -10.606 -6.289 1.00 0.00 N ATOM 0 H ASN A 98 6.297 -12.776 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 98 5.257 -10.446 -4.328 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.380 -13.269 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.070 -12.193 -4.161 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.246 -10.262 -7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.038 -10.044 -5.501 1.00 0.00 H new ATOM 838 N ALA A 99 3.384 -10.142 -2.534 1.00 0.00 N ATOM 839 CA ALA A 99 2.624 -9.711 -1.363 1.00 0.00 C ATOM 840 C ALA A 99 1.156 -10.102 -1.541 1.00 0.00 C ATOM 841 O ALA A 99 0.404 -9.419 -2.241 1.00 0.00 O ATOM 842 CB ALA A 99 2.766 -8.204 -1.169 1.00 0.00 C ATOM 0 H ALA A 99 3.082 -9.703 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 99 3.014 -10.203 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.195 -7.894 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.817 -7.953 -1.024 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.387 -7.686 -2.050 1.00 0.00 H new ATOM 848 N TYR A 100 0.758 -11.217 -0.932 1.00 0.00 N ATOM 849 CA TYR A 100 -0.614 -11.715 -1.055 1.00 0.00 C ATOM 850 C TYR A 100 -1.513 -11.163 0.050 1.00 0.00 C ATOM 851 O TYR A 100 -1.611 -11.735 1.138 1.00 0.00 O ATOM 852 CB TYR A 100 -0.621 -13.251 -1.029 1.00 0.00 C ATOM 853 CG TYR A 100 0.258 -13.888 -2.088 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.605 -14.150 -1.844 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.259 -14.225 -3.332 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.404 -14.728 -2.812 1.00 0.00 C ATOM 857 CE2 TYR A 100 0.537 -14.802 -4.302 1.00 0.00 C ATOM 858 CZ TYR A 100 1.866 -15.050 -4.036 1.00 0.00 C ATOM 859 OH TYR A 100 2.664 -15.620 -4.998 1.00 0.00 O ATOM 0 H TYR A 100 1.364 -11.794 -0.348 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.012 -11.369 -2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.292 -13.589 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.644 -13.602 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.031 -13.898 -0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.300 -14.033 -3.544 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.446 -14.926 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.120 -15.058 -5.265 1.00 0.00 H new ATOM 0 HH TYR A 100 2.134 -15.788 -5.805 1.00 0.00 H new ATOM 869 N ARG A 101 -2.172 -10.044 -0.239 1.00 0.00 N ATOM 870 CA ARG A 101 -3.063 -9.408 0.725 1.00 0.00 C ATOM 871 C ARG A 101 -4.534 -9.608 0.339 1.00 0.00 C ATOM 872 O ARG A 101 -5.103 -8.823 -0.421 1.00 0.00 O ATOM 873 CB ARG A 101 -2.725 -7.918 0.828 1.00 0.00 C ATOM 874 CG ARG A 101 -3.115 -7.286 2.152 1.00 0.00 C ATOM 875 CD ARG A 101 -2.554 -5.880 2.266 1.00 0.00 C ATOM 876 NE ARG A 101 -3.560 -4.925 2.741 1.00 0.00 N ATOM 877 CZ ARG A 101 -3.707 -4.541 4.006 1.00 0.00 C ATOM 878 NH1 ARG A 101 -2.913 -5.004 4.955 1.00 0.00 N ATOM 879 NH2 ARG A 101 -4.657 -3.683 4.312 1.00 0.00 N ATOM 0 H ARG A 101 -2.105 -9.559 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.916 -9.876 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -1.653 -7.788 0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.228 -7.385 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.201 -7.257 2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.745 -7.898 2.975 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.705 -5.883 2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.180 -5.559 1.294 1.00 0.00 H new ATOM 0 HE ARG A 101 -4.195 -4.525 2.050 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.173 -5.667 4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.040 -4.699 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -5.271 -3.320 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -4.780 -3.381 5.279 1.00 0.00 H new ATOM 893 N GLU A 102 -5.144 -10.668 0.872 1.00 0.00 N ATOM 894 CA GLU A 102 -6.551 -10.977 0.590 1.00 0.00 C ATOM 895 C GLU A 102 -7.489 -10.181 1.506 1.00 0.00 C ATOM 896 O GLU A 102 -7.144 -9.878 2.651 1.00 0.00 O ATOM 897 CB GLU A 102 -6.805 -12.483 0.750 1.00 0.00 C ATOM 898 CG GLU A 102 -7.909 -13.015 -0.157 1.00 0.00 C ATOM 899 CD GLU A 102 -8.508 -14.321 0.335 1.00 0.00 C ATOM 900 OE1 GLU A 102 -9.288 -14.289 1.307 1.00 0.00 O ATOM 901 OE2 GLU A 102 -8.200 -15.373 -0.260 1.00 0.00 O ATOM 0 H GLU A 102 -4.688 -11.328 1.502 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.760 -10.687 -0.440 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.882 -13.023 0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.067 -12.691 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.698 -12.267 -0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.508 -13.161 -1.160 1.00 0.00 H new ATOM 908 N CYS A 103 -8.676 -9.844 1.001 1.00 0.00 N ATOM 909 CA CYS A 103 -9.657 -9.084 1.786 1.00 0.00 C ATOM 910 C CYS A 103 -10.556 -10.017 2.594 1.00 0.00 C ATOM 911 O CYS A 103 -10.759 -11.170 2.219 1.00 0.00 O ATOM 912 CB CYS A 103 -10.511 -8.188 0.881 1.00 0.00 C ATOM 913 SG CYS A 103 -10.208 -6.407 1.115 1.00 0.00 S ATOM 0 H CYS A 103 -8.983 -10.082 0.058 1.00 0.00 H new ATOM 0 HA CYS A 103 -9.102 -8.451 2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -10.316 -8.447 -0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.564 -8.396 1.069 1.00 0.00 H new ATOM 918 N LEU A 104 -11.098 -9.510 3.698 1.00 0.00 N ATOM 919 CA LEU A 104 -11.978 -10.304 4.554 1.00 0.00 C ATOM 920 C LEU A 104 -13.272 -10.673 3.828 1.00 0.00 C ATOM 921 O LEU A 104 -13.580 -10.130 2.768 1.00 0.00 O ATOM 922 CB LEU A 104 -12.304 -9.544 5.844 1.00 0.00 C ATOM 923 CG LEU A 104 -11.119 -9.284 6.771 1.00 0.00 C ATOM 924 CD1 LEU A 104 -11.515 -8.314 7.869 1.00 0.00 C ATOM 925 CD2 LEU A 104 -10.612 -10.586 7.371 1.00 0.00 C ATOM 0 H LEU A 104 -10.944 -8.555 4.021 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.451 -11.224 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.752 -8.586 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.058 -10.106 6.395 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.313 -8.840 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.661 -8.137 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.833 -7.371 7.424 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.335 -8.736 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.768 -10.379 8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.410 -11.058 7.943 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.294 -11.255 6.572 1.00 0.00 H new ATOM 937 N GLU A 105 -14.023 -11.604 4.411 1.00 0.00 N ATOM 938 CA GLU A 105 -15.286 -12.060 3.825 1.00 0.00 C ATOM 939 C GLU A 105 -16.455 -11.132 4.184 1.00 0.00 C ATOM 940 O GLU A 105 -17.450 -11.081 3.462 1.00 0.00 O ATOM 941 CB GLU A 105 -15.592 -13.493 4.280 1.00 0.00 C ATOM 942 CG GLU A 105 -15.252 -14.550 3.237 1.00 0.00 C ATOM 943 CD GLU A 105 -15.084 -15.935 3.832 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.091 -16.665 3.924 1.00 0.00 O ATOM 945 OE2 GLU A 105 -13.945 -16.286 4.202 1.00 0.00 O ATOM 0 H GLU A 105 -13.780 -12.060 5.291 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.171 -12.039 2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.034 -13.702 5.193 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.650 -13.568 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.040 -14.577 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.332 -14.266 2.726 1.00 0.00 H new ATOM 952 N ASN A 106 -16.331 -10.398 5.294 1.00 0.00 N ATOM 953 CA ASN A 106 -17.387 -9.475 5.732 1.00 0.00 C ATOM 954 C ASN A 106 -17.442 -8.223 4.849 1.00 0.00 C ATOM 955 O ASN A 106 -18.509 -7.647 4.640 1.00 0.00 O ATOM 956 CB ASN A 106 -17.161 -9.069 7.193 1.00 0.00 C ATOM 957 CG ASN A 106 -17.802 -10.032 8.173 1.00 0.00 C ATOM 958 OD1 ASN A 106 -18.986 -10.338 8.075 1.00 0.00 O ATOM 959 ND2 ASN A 106 -17.021 -10.513 9.128 1.00 0.00 N ATOM 0 H ASN A 106 -15.514 -10.423 5.905 1.00 0.00 H new ATOM 0 HA ASN A 106 -18.340 -9.996 5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.090 -9.016 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.565 -8.070 7.355 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.399 -11.163 9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.041 -10.233 9.175 1.00 0.00 H new ATOM 966 N GLY A 107 -16.283 -7.810 4.338 1.00 0.00 N ATOM 967 CA GLY A 107 -16.210 -6.626 3.486 1.00 0.00 C ATOM 968 C GLY A 107 -15.162 -5.629 3.955 1.00 0.00 C ATOM 969 O GLY A 107 -15.369 -4.418 3.869 1.00 0.00 O ATOM 0 H GLY A 107 -15.389 -8.274 4.498 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -15.983 -6.932 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -17.185 -6.139 3.464 1.00 0.00 H new ATOM 973 N THR A 108 -14.031 -6.139 4.445 1.00 0.00 N ATOM 974 CA THR A 108 -12.941 -5.289 4.929 1.00 0.00 C ATOM 975 C THR A 108 -11.588 -5.928 4.625 1.00 0.00 C ATOM 976 O THR A 108 -11.523 -7.080 4.199 1.00 0.00 O ATOM 977 CB THR A 108 -13.066 -5.052 6.442 1.00 0.00 C ATOM 978 OG1 THR A 108 -14.401 -5.226 6.885 1.00 0.00 O ATOM 979 CG2 THR A 108 -12.627 -3.670 6.868 1.00 0.00 C ATOM 0 H THR A 108 -13.845 -7.139 4.517 1.00 0.00 H new ATOM 0 HA THR A 108 -13.010 -4.331 4.413 1.00 0.00 H new ATOM 0 HB THR A 108 -12.405 -5.791 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 108 -14.448 -5.070 7.851 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.741 -3.569 7.947 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.582 -3.521 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.242 -2.922 6.367 1.00 0.00 H new ATOM 987 N TRP A 109 -10.508 -5.190 4.855 1.00 0.00 N ATOM 988 CA TRP A 109 -9.162 -5.715 4.612 1.00 0.00 C ATOM 989 C TRP A 109 -8.776 -6.734 5.690 1.00 0.00 C ATOM 990 O TRP A 109 -9.338 -6.733 6.785 1.00 0.00 O ATOM 991 CB TRP A 109 -8.144 -4.571 4.570 1.00 0.00 C ATOM 992 CG TRP A 109 -8.046 -3.914 3.226 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.553 -2.698 2.871 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.406 -4.440 2.054 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.269 -2.435 1.552 1.00 0.00 N ATOM 996 CE2 TRP A 109 -7.564 -3.486 1.031 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.715 -5.621 1.772 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.058 -3.678 -0.251 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.211 -5.810 0.498 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.383 -4.843 -0.499 1.00 0.00 C ATOM 0 H TRP A 109 -10.533 -4.233 5.207 1.00 0.00 H new ATOM 0 HA TRP A 109 -9.159 -6.220 3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -8.418 -3.823 5.314 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -7.164 -4.956 4.851 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.098 -2.038 3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -8.540 -1.593 1.044 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -6.577 -6.373 2.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -7.193 -2.935 -1.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.676 -6.719 0.269 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -5.975 -5.019 -1.483 1.00 0.00 H new ATOM 1011 N ALA A 110 -7.823 -7.610 5.372 1.00 0.00 N ATOM 1012 CA ALA A 110 -7.379 -8.636 6.319 1.00 0.00 C ATOM 1013 C ALA A 110 -6.576 -8.035 7.481 1.00 0.00 C ATOM 1014 O ALA A 110 -6.203 -6.860 7.454 1.00 0.00 O ATOM 1015 CB ALA A 110 -6.566 -9.701 5.593 1.00 0.00 C ATOM 0 H ALA A 110 -7.345 -7.631 4.471 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.267 -9.099 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.241 -10.459 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.181 -10.167 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.694 -9.240 5.130 1.00 0.00 H new ATOM 1021 N SER A 111 -6.327 -8.857 8.505 1.00 0.00 N ATOM 1022 CA SER A 111 -5.581 -8.422 9.693 1.00 0.00 C ATOM 1023 C SER A 111 -4.158 -7.970 9.351 1.00 0.00 C ATOM 1024 O SER A 111 -3.809 -6.808 9.559 1.00 0.00 O ATOM 1025 CB SER A 111 -5.537 -9.545 10.734 1.00 0.00 C ATOM 1026 OG SER A 111 -6.387 -9.251 11.828 1.00 0.00 O ATOM 0 H SER A 111 -6.631 -9.830 8.536 1.00 0.00 H new ATOM 0 HA SER A 111 -6.108 -7.562 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.841 -10.485 10.274 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.515 -9.679 11.088 1.00 0.00 H new ATOM 0 HG SER A 111 -6.345 -9.981 12.480 1.00 0.00 H new ATOM 1032 N ARG A 112 -3.333 -8.890 8.846 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.947 -8.574 8.495 1.00 0.00 C ATOM 1034 C ARG A 112 -1.556 -9.192 7.146 1.00 0.00 C ATOM 1035 O ARG A 112 -2.006 -10.286 6.803 1.00 0.00 O ATOM 1036 CB ARG A 112 -1.005 -9.077 9.594 1.00 0.00 C ATOM 1037 CG ARG A 112 -1.032 -8.233 10.863 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.647 -8.993 12.031 1.00 0.00 C ATOM 1039 NE ARG A 112 -1.010 -8.652 13.307 1.00 0.00 N ATOM 1040 CZ ARG A 112 0.177 -9.107 13.705 1.00 0.00 C ATOM 1041 NH1 ARG A 112 0.881 -9.915 12.936 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.657 -8.745 14.878 1.00 0.00 N ATOM 0 H ARG A 112 -3.600 -9.859 8.671 1.00 0.00 H new ATOM 0 HA ARG A 112 -1.859 -7.491 8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.272 -10.103 9.846 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.013 -9.098 9.205 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.017 -7.930 11.120 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.601 -7.321 10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.713 -8.770 12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.554 -10.065 11.855 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.511 -8.022 13.934 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.518 -10.198 12.026 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.789 -10.257 13.252 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.120 -8.119 15.478 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.566 -9.091 15.186 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.714 -8.486 6.388 1.00 0.00 N ATOM 1057 CA VAL A 113 -0.263 -8.965 5.075 1.00 0.00 C ATOM 1058 C VAL A 113 1.130 -9.610 5.154 1.00 0.00 C ATOM 1059 O VAL A 113 1.984 -9.185 5.936 1.00 0.00 O ATOM 1060 CB VAL A 113 -0.267 -7.818 4.034 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.535 -6.623 4.521 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.249 -8.293 2.682 1.00 0.00 C ATOM 0 H VAL A 113 -0.330 -7.581 6.659 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.969 -9.730 4.752 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.302 -7.501 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.511 -5.837 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.103 -6.248 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.567 -6.925 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.233 -7.464 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.270 -8.658 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.387 -9.098 2.312 1.00 0.00 H new ATOM 1072 N ASN A 114 1.345 -10.652 4.345 1.00 0.00 N ATOM 1073 CA ASN A 114 2.625 -11.374 4.332 1.00 0.00 C ATOM 1074 C ASN A 114 3.686 -10.678 3.470 1.00 0.00 C ATOM 1075 O ASN A 114 3.968 -11.101 2.350 1.00 0.00 O ATOM 1076 CB ASN A 114 2.433 -12.826 3.856 1.00 0.00 C ATOM 1077 CG ASN A 114 1.541 -12.960 2.630 1.00 0.00 C ATOM 1078 OD1 ASN A 114 1.458 -12.059 1.798 1.00 0.00 O ATOM 1079 ND2 ASN A 114 0.868 -14.095 2.514 1.00 0.00 N ATOM 0 H ASN A 114 0.652 -11.015 3.691 1.00 0.00 H new ATOM 0 HA ASN A 114 2.987 -11.377 5.360 1.00 0.00 H new ATOM 0 HB2 ASN A 114 3.409 -13.257 3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.006 -13.411 4.670 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.255 -14.245 1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 114 0.963 -14.819 3.226 1.00 0.00 H new ATOM 1086 N TYR A 115 4.293 -9.625 4.014 1.00 0.00 N ATOM 1087 CA TYR A 115 5.343 -8.888 3.299 1.00 0.00 C ATOM 1088 C TYR A 115 6.748 -9.384 3.674 1.00 0.00 C ATOM 1089 O TYR A 115 7.742 -8.963 3.079 1.00 0.00 O ATOM 1090 CB TYR A 115 5.228 -7.389 3.585 1.00 0.00 C ATOM 1091 CG TYR A 115 4.507 -6.622 2.502 1.00 0.00 C ATOM 1092 CD1 TYR A 115 3.123 -6.601 2.452 1.00 0.00 C ATOM 1093 CD2 TYR A 115 5.209 -5.917 1.535 1.00 0.00 C ATOM 1094 CE1 TYR A 115 2.457 -5.900 1.468 1.00 0.00 C ATOM 1095 CE2 TYR A 115 4.550 -5.213 0.549 1.00 0.00 C ATOM 1096 CZ TYR A 115 3.177 -5.207 0.520 1.00 0.00 C ATOM 1097 OH TYR A 115 2.524 -4.508 -0.462 1.00 0.00 O ATOM 0 H TYR A 115 4.080 -9.261 4.943 1.00 0.00 H new ATOM 0 HA TYR A 115 5.199 -9.068 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.704 -7.247 4.530 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.228 -6.973 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 115 2.556 -7.142 3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.289 -5.920 1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.377 -5.895 1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.111 -4.669 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 115 1.570 -4.733 -0.444 1.00 0.00 H new ATOM 1107 N SER A 116 6.824 -10.279 4.664 1.00 0.00 N ATOM 1108 CA SER A 116 8.103 -10.829 5.124 1.00 0.00 C ATOM 1109 C SER A 116 8.771 -11.726 4.071 1.00 0.00 C ATOM 1110 O SER A 116 9.953 -12.044 4.189 1.00 0.00 O ATOM 1111 CB SER A 116 7.886 -11.616 6.418 1.00 0.00 C ATOM 1112 OG SER A 116 7.601 -10.743 7.497 1.00 0.00 O ATOM 0 H SER A 116 6.011 -10.639 5.164 1.00 0.00 H new ATOM 0 HA SER A 116 8.775 -9.990 5.302 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.064 -12.320 6.287 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.776 -12.203 6.645 1.00 0.00 H new ATOM 0 HG SER A 116 7.464 -11.267 8.314 1.00 0.00 H new ATOM 1118 N HIS A 117 8.012 -12.127 3.046 1.00 0.00 N ATOM 1119 CA HIS A 117 8.531 -12.986 1.974 1.00 0.00 C ATOM 1120 C HIS A 117 9.619 -12.282 1.137 1.00 0.00 C ATOM 1121 O HIS A 117 10.332 -12.930 0.369 1.00 0.00 O ATOM 1122 CB HIS A 117 7.367 -13.436 1.081 1.00 0.00 C ATOM 1123 CG HIS A 117 7.671 -14.611 0.204 1.00 0.00 C ATOM 1124 ND1 HIS A 117 8.169 -15.804 0.681 1.00 0.00 N ATOM 1125 CD2 HIS A 117 7.523 -14.774 -1.128 1.00 0.00 C ATOM 1126 CE1 HIS A 117 8.313 -16.653 -0.323 1.00 0.00 C ATOM 1127 NE2 HIS A 117 7.927 -16.051 -1.434 1.00 0.00 N ATOM 0 H HIS A 117 7.031 -11.869 2.935 1.00 0.00 H new ATOM 0 HA HIS A 117 9.003 -13.855 2.432 1.00 0.00 H new ATOM 0 HB2 HIS A 117 6.515 -13.683 1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 117 7.064 -12.599 0.452 1.00 0.00 H new ATOM 0 HD2 HIS A 117 7.155 -14.036 -1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 117 8.683 -17.665 -0.248 1.00 0.00 H new ATOM 0 HE2 HIS A 117 7.929 -16.466 -2.366 1.00 0.00 H new ATOM 1136 N CYS A 118 9.745 -10.959 1.291 1.00 0.00 N ATOM 1137 CA CYS A 118 10.751 -10.179 0.556 1.00 0.00 C ATOM 1138 C CYS A 118 12.152 -10.365 1.170 1.00 0.00 C ATOM 1139 O CYS A 118 12.314 -10.286 2.389 1.00 0.00 O ATOM 1140 CB CYS A 118 10.346 -8.702 0.550 1.00 0.00 C ATOM 1141 SG CYS A 118 8.602 -8.418 0.091 1.00 0.00 S ATOM 0 H CYS A 118 9.163 -10.404 1.918 1.00 0.00 H new ATOM 0 HA CYS A 118 10.797 -10.539 -0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.524 -8.282 1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.988 -8.162 -0.146 1.00 0.00 H new ATOM 1146 N GLU A 119 13.155 -10.636 0.326 1.00 0.00 N ATOM 1147 CA GLU A 119 14.535 -10.875 0.802 1.00 0.00 C ATOM 1148 C GLU A 119 15.585 -10.449 -0.243 1.00 0.00 C ATOM 1149 O GLU A 119 15.240 -10.213 -1.394 1.00 0.00 O ATOM 1150 CB GLU A 119 14.682 -12.366 1.112 1.00 0.00 C ATOM 1151 CG GLU A 119 14.276 -13.261 -0.053 1.00 0.00 C ATOM 1152 CD GLU A 119 15.176 -14.466 -0.206 1.00 0.00 C ATOM 1153 OE1 GLU A 119 16.367 -14.279 -0.523 1.00 0.00 O ATOM 1154 OE2 GLU A 119 14.688 -15.599 -0.014 1.00 0.00 O ATOM 0 H GLU A 119 13.044 -10.696 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 119 14.709 -10.274 1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.718 -12.575 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.072 -12.612 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.249 -13.596 0.093 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.294 -12.680 -0.975 1.00 0.00 H new ATOM 1161 N PRO A 120 16.887 -10.344 0.123 1.00 0.00 N ATOM 1162 CA PRO A 120 17.943 -9.946 -0.836 1.00 0.00 C ATOM 1163 C PRO A 120 18.094 -10.932 -2.004 1.00 0.00 C ATOM 1164 O PRO A 120 17.278 -11.835 -2.176 1.00 0.00 O ATOM 1165 CB PRO A 120 19.217 -9.916 0.020 1.00 0.00 C ATOM 1166 CG PRO A 120 18.912 -10.780 1.193 1.00 0.00 C ATOM 1167 CD PRO A 120 17.444 -10.611 1.465 1.00 0.00 C ATOM 0 HA PRO A 120 17.713 -8.993 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 120 20.075 -10.293 -0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 120 19.460 -8.900 0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.152 -11.822 0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.505 -10.485 2.059 1.00 0.00 H new ATOM 0 HD2 PRO A 120 17.010 -11.506 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 120 17.253 -9.787 2.153 1.00 0.00 H new ATOM 1175 N ILE A 121 19.139 -10.753 -2.813 1.00 0.00 N ATOM 1176 CA ILE A 121 19.376 -11.637 -3.957 1.00 0.00 C ATOM 1177 C ILE A 121 20.439 -12.691 -3.627 1.00 0.00 C ATOM 1178 O ILE A 121 21.600 -12.589 -4.029 1.00 0.00 O ATOM 1179 CB ILE A 121 19.770 -10.843 -5.224 1.00 0.00 C ATOM 1180 CG1 ILE A 121 19.990 -11.786 -6.404 1.00 0.00 C ATOM 1181 CG2 ILE A 121 21.004 -9.994 -4.980 1.00 0.00 C ATOM 1182 CD1 ILE A 121 18.744 -12.005 -7.230 1.00 0.00 C ATOM 0 H ILE A 121 19.830 -10.011 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 121 18.437 -12.149 -4.168 1.00 0.00 H new ATOM 0 HB ILE A 121 18.946 -10.172 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 121 20.775 -11.382 -7.043 1.00 0.00 H new ATOM 0 HG13 ILE A 121 20.345 -12.747 -6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 121 21.256 -9.448 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 121 20.805 -9.286 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 121 21.839 -10.637 -4.700 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.967 -12.684 -8.053 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.964 -12.438 -6.604 1.00 0.00 H new ATOM 0 HD13 ILE A 121 18.401 -11.051 -7.630 1.00 0.00 H new ATOM 1194 N LEU A 122 20.018 -13.700 -2.872 1.00 0.00 N ATOM 1195 CA LEU A 122 20.894 -14.781 -2.456 1.00 0.00 C ATOM 1196 C LEU A 122 20.303 -16.148 -2.818 1.00 0.00 C ATOM 1197 O LEU A 122 19.149 -16.249 -3.241 1.00 0.00 O ATOM 1198 CB LEU A 122 21.101 -14.705 -0.942 1.00 0.00 C ATOM 1199 CG LEU A 122 22.208 -13.756 -0.474 1.00 0.00 C ATOM 1200 CD1 LEU A 122 21.964 -13.311 0.958 1.00 0.00 C ATOM 1201 CD2 LEU A 122 23.569 -14.420 -0.594 1.00 0.00 C ATOM 0 H LEU A 122 19.060 -13.788 -2.533 1.00 0.00 H new ATOM 0 HA LEU A 122 21.845 -14.672 -2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 122 20.163 -14.397 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.325 -15.706 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 122 22.194 -12.876 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 122 22.762 -12.637 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 122 21.007 -12.793 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 122 21.948 -14.183 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 122 24.342 -13.729 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 122 23.591 -15.319 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.752 -14.689 -1.634 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 22.671 -1.714 0.019 1.00 0.00 N ATOM 1215 CA LEU B 227 22.271 -3.047 -0.347 1.00 0.00 C ATOM 1216 C LEU B 227 22.599 -4.110 0.705 1.00 0.00 C ATOM 1217 O LEU B 227 21.684 -4.658 1.315 1.00 0.00 O ATOM 1218 CB LEU B 227 22.817 -3.404 -1.736 1.00 0.00 C ATOM 1219 CG LEU B 227 24.331 -3.598 -1.910 1.00 0.00 C ATOM 1220 CD1 LEU B 227 24.646 -3.946 -3.356 1.00 0.00 C ATOM 1221 CD2 LEU B 227 25.100 -2.352 -1.498 1.00 0.00 C ATOM 0 HA LEU B 227 21.182 -3.046 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU B 227 22.328 -4.324 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU B 227 22.504 -2.620 -2.425 1.00 0.00 H new ATOM 0 HG LEU B 227 24.643 -4.417 -1.262 1.00 0.00 H new ATOM 0 HD11 LEU B 227 25.721 -4.082 -3.472 1.00 0.00 H new ATOM 0 HD12 LEU B 227 24.132 -4.868 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU B 227 24.311 -3.138 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU B 227 26.168 -2.522 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU B 227 24.786 -1.510 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU B 227 24.898 -2.130 -0.450 1.00 0.00 H new ATOM 1233 N ALA B 228 23.874 -4.410 0.916 1.00 0.00 N ATOM 1234 CA ALA B 228 24.261 -5.436 1.887 1.00 0.00 C ATOM 1235 C ALA B 228 23.627 -5.220 3.262 1.00 0.00 C ATOM 1236 O ALA B 228 23.213 -6.182 3.911 1.00 0.00 O ATOM 1237 CB ALA B 228 25.780 -5.523 1.995 1.00 0.00 C ATOM 0 H ALA B 228 24.655 -3.964 0.435 1.00 0.00 H new ATOM 0 HA ALA B 228 23.877 -6.386 1.515 1.00 0.00 H new ATOM 0 HB1 ALA B 228 26.050 -6.290 2.721 1.00 0.00 H new ATOM 0 HB2 ALA B 228 26.200 -5.780 1.022 1.00 0.00 H new ATOM 0 HB3 ALA B 228 26.177 -4.561 2.319 1.00 0.00 H new ATOM 1243 N GLN B 229 23.552 -3.970 3.712 1.00 0.00 N ATOM 1244 CA GLN B 229 22.966 -3.676 5.022 1.00 0.00 C ATOM 1245 C GLN B 229 21.688 -2.821 4.922 1.00 0.00 C ATOM 1246 O GLN B 229 21.152 -2.386 5.942 1.00 0.00 O ATOM 1247 CB GLN B 229 24.003 -2.983 5.910 1.00 0.00 C ATOM 1248 CG GLN B 229 24.181 -3.648 7.271 1.00 0.00 C ATOM 1249 CD GLN B 229 24.764 -2.712 8.315 1.00 0.00 C ATOM 1250 OE1 GLN B 229 25.884 -2.230 8.174 1.00 0.00 O ATOM 1251 NE2 GLN B 229 24.007 -2.451 9.371 1.00 0.00 N ATOM 0 H GLN B 229 23.884 -3.153 3.199 1.00 0.00 H new ATOM 0 HA GLN B 229 22.674 -4.626 5.469 1.00 0.00 H new ATOM 0 HB2 GLN B 229 24.962 -2.970 5.393 1.00 0.00 H new ATOM 0 HB3 GLN B 229 23.707 -1.944 6.058 1.00 0.00 H new ATOM 0 HG2 GLN B 229 23.216 -4.016 7.619 1.00 0.00 H new ATOM 0 HG3 GLN B 229 24.833 -4.515 7.163 1.00 0.00 H new ATOM 0 HE21 GLN B 229 23.081 -2.872 9.451 1.00 0.00 H new ATOM 0 HE22 GLN B 229 24.350 -1.830 10.103 1.00 0.00 H new ATOM 1260 N GLU B 230 21.201 -2.586 3.699 1.00 0.00 N ATOM 1261 CA GLU B 230 19.991 -1.783 3.489 1.00 0.00 C ATOM 1262 C GLU B 230 18.761 -2.666 3.288 1.00 0.00 C ATOM 1263 O GLU B 230 17.718 -2.454 3.911 1.00 0.00 O ATOM 1264 CB GLU B 230 20.174 -0.860 2.284 1.00 0.00 C ATOM 1265 CG GLU B 230 21.054 0.347 2.570 1.00 0.00 C ATOM 1266 CD GLU B 230 20.468 1.263 3.633 1.00 0.00 C ATOM 1267 OE1 GLU B 230 21.080 1.476 4.684 1.00 0.00 O ATOM 0 H GLU B 230 21.625 -2.939 2.841 1.00 0.00 H new ATOM 0 HA GLU B 230 19.831 -1.182 4.384 1.00 0.00 H new ATOM 0 HB2 GLU B 230 20.609 -1.430 1.463 1.00 0.00 H new ATOM 0 HB3 GLU B 230 19.196 -0.515 1.949 1.00 0.00 H new ATOM 0 HG2 GLU B 230 22.038 0.006 2.893 1.00 0.00 H new ATOM 0 HG3 GLU B 230 21.199 0.912 1.649 1.00 0.00 H new ATOM 1274 N ALA B 231 18.892 -3.668 2.421 1.00 0.00 N ATOM 1275 CA ALA B 231 17.804 -4.599 2.141 1.00 0.00 C ATOM 1276 C ALA B 231 17.143 -5.080 3.438 1.00 0.00 C ATOM 1277 O ALA B 231 15.915 -5.202 3.521 1.00 0.00 O ATOM 1278 CB ALA B 231 18.349 -5.769 1.344 1.00 0.00 C ATOM 0 H ALA B 231 19.747 -3.855 1.898 1.00 0.00 H new ATOM 0 HA ALA B 231 17.037 -4.090 1.557 1.00 0.00 H new ATOM 0 HB1 ALA B 231 17.543 -6.471 1.130 1.00 0.00 H new ATOM 0 HB2 ALA B 231 18.772 -5.406 0.407 1.00 0.00 H new ATOM 0 HB3 ALA B 231 19.124 -6.273 1.921 1.00 0.00 H new ATOM 1284 N HIS B 232 17.972 -5.334 4.455 1.00 0.00 N ATOM 1285 CA HIS B 232 17.479 -5.780 5.754 1.00 0.00 C ATOM 1286 C HIS B 232 16.504 -4.763 6.337 1.00 0.00 C ATOM 1287 O HIS B 232 15.338 -5.090 6.557 1.00 0.00 O ATOM 1288 CB HIS B 232 18.644 -6.032 6.723 1.00 0.00 C ATOM 1289 CG HIS B 232 18.439 -7.204 7.642 1.00 0.00 C ATOM 1290 ND1 HIS B 232 17.310 -7.998 7.623 1.00 0.00 N ATOM 1291 CD2 HIS B 232 19.238 -7.717 8.605 1.00 0.00 C ATOM 1292 CE1 HIS B 232 17.426 -8.946 8.533 1.00 0.00 C ATOM 1293 NE2 HIS B 232 18.588 -8.800 9.143 1.00 0.00 N ATOM 0 H HIS B 232 18.986 -5.237 4.400 1.00 0.00 H new ATOM 0 HA HIS B 232 16.948 -6.721 5.611 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.554 -6.193 6.145 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.802 -5.137 7.324 1.00 0.00 H new ATOM 0 HD2 HIS B 232 20.208 -7.344 8.897 1.00 0.00 H new ATOM 0 HE1 HIS B 232 16.694 -9.712 8.743 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.944 -9.394 9.891 1.00 0.00 H new ATOM 1302 N LYS B 233 16.969 -3.528 6.555 1.00 0.00 N ATOM 1303 CA LYS B 233 16.094 -2.479 7.082 1.00 0.00 C ATOM 1304 C LYS B 233 14.875 -2.315 6.170 1.00 0.00 C ATOM 1305 O LYS B 233 13.749 -2.165 6.647 1.00 0.00 O ATOM 1306 CB LYS B 233 16.843 -1.141 7.243 1.00 0.00 C ATOM 1307 CG LYS B 233 17.501 -0.618 5.971 1.00 0.00 C ATOM 1308 CD LYS B 233 18.115 0.763 6.181 1.00 0.00 C ATOM 1309 CE LYS B 233 17.642 1.760 5.135 1.00 0.00 C ATOM 1310 NZ LYS B 233 18.240 1.498 3.824 1.00 0.00 N ATOM 0 H LYS B 233 17.930 -3.235 6.378 1.00 0.00 H new ATOM 0 HA LYS B 233 15.759 -2.780 8.074 1.00 0.00 H new ATOM 0 HB2 LYS B 233 16.142 -0.390 7.607 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.609 -1.260 8.009 1.00 0.00 H new ATOM 0 HG2 LYS B 233 18.274 -1.315 5.648 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.761 -0.570 5.172 1.00 0.00 H new ATOM 0 HD2 LYS B 233 17.855 1.128 7.174 1.00 0.00 H new ATOM 0 HD3 LYS B 233 19.202 0.686 6.144 1.00 0.00 H new ATOM 0 HE2 LYS B 233 16.556 1.715 5.055 1.00 0.00 H new ATOM 0 HE3 LYS B 233 17.896 2.771 5.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 18.841 2.301 3.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 18.817 0.634 3.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 17.487 1.373 3.118 1.00 0.00 H new ATOM 1322 N ASN B 234 15.108 -2.395 4.856 1.00 0.00 N ATOM 1323 CA ASN B 234 14.029 -2.300 3.875 1.00 0.00 C ATOM 1324 C ASN B 234 12.954 -3.338 4.184 1.00 0.00 C ATOM 1325 O ASN B 234 11.787 -3.001 4.378 1.00 0.00 O ATOM 1326 CB ASN B 234 14.566 -2.536 2.450 1.00 0.00 C ATOM 1327 CG ASN B 234 15.631 -1.549 1.998 1.00 0.00 C ATOM 1328 OD1 ASN B 234 15.756 -0.412 2.671 1.00 0.00 O flip ATOM 1329 ND2 ASN B 234 16.341 -1.808 1.029 1.00 0.00 N flip ATOM 0 H ASN B 234 16.035 -2.525 4.450 1.00 0.00 H new ATOM 0 HA ASN B 234 13.603 -1.298 3.932 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.978 -3.544 2.394 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.731 -2.494 1.751 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.222 -2.690 0.531 1.00 0.00 H new ATOM 0 HD22 ASN B 234 17.049 -1.141 0.723 1.00 0.00 H new ATOM 1336 N ARG B 235 13.362 -4.605 4.231 1.00 0.00 N ATOM 1337 CA ARG B 235 12.433 -5.692 4.518 1.00 0.00 C ATOM 1338 C ARG B 235 11.976 -5.654 5.969 1.00 0.00 C ATOM 1339 O ARG B 235 10.818 -5.937 6.261 1.00 0.00 O ATOM 1340 CB ARG B 235 13.047 -7.044 4.163 1.00 0.00 C ATOM 1341 CG ARG B 235 12.841 -7.417 2.706 1.00 0.00 C ATOM 1342 CD ARG B 235 13.042 -6.217 1.791 1.00 0.00 C ATOM 1343 NE ARG B 235 13.902 -6.492 0.630 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.123 -7.034 0.674 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.644 -7.451 1.821 1.00 0.00 N ATOM 1346 NH2 ARG B 235 15.843 -7.105 -0.435 1.00 0.00 N ATOM 0 H ARG B 235 14.325 -4.901 4.075 1.00 0.00 H new ATOM 0 HA ARG B 235 11.551 -5.554 3.892 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.115 -7.022 4.381 1.00 0.00 H new ATOM 0 HB3 ARG B 235 12.609 -7.815 4.797 1.00 0.00 H new ATOM 0 HG2 ARG B 235 13.538 -8.208 2.429 1.00 0.00 H new ATOM 0 HG3 ARG B 235 11.836 -7.816 2.570 1.00 0.00 H new ATOM 0 HD2 ARG B 235 12.069 -5.875 1.438 1.00 0.00 H new ATOM 0 HD3 ARG B 235 13.477 -5.401 2.368 1.00 0.00 H new ATOM 0 HE ARG B 235 13.534 -6.248 -0.290 1.00 0.00 H new ATOM 0 HH11 ARG B 235 15.111 -7.360 2.686 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.577 -7.862 1.838 1.00 0.00 H new ATOM 0 HH21 ARG B 235 15.465 -6.748 -1.312 1.00 0.00 H new ATOM 0 HH22 ARG B 235 16.776 -7.517 -0.412 1.00 0.00 H new ATOM 1360 N LYS B 236 12.870 -5.266 6.873 1.00 0.00 N ATOM 1361 CA LYS B 236 12.511 -5.149 8.290 1.00 0.00 C ATOM 1362 C LYS B 236 11.282 -4.237 8.436 1.00 0.00 C ATOM 1363 O LYS B 236 10.470 -4.417 9.339 1.00 0.00 O ATOM 1364 CB LYS B 236 13.685 -4.604 9.114 1.00 0.00 C ATOM 1365 CG LYS B 236 14.649 -5.681 9.600 1.00 0.00 C ATOM 1366 CD LYS B 236 14.012 -6.561 10.670 1.00 0.00 C ATOM 1367 CE LYS B 236 14.829 -7.816 10.940 1.00 0.00 C ATOM 1368 NZ LYS B 236 13.975 -8.937 11.439 1.00 0.00 N ATOM 0 H LYS B 236 13.838 -5.029 6.658 1.00 0.00 H new ATOM 0 HA LYS B 236 12.271 -6.141 8.672 1.00 0.00 H new ATOM 0 HB2 LYS B 236 14.236 -3.882 8.511 1.00 0.00 H new ATOM 0 HB3 LYS B 236 13.292 -4.065 9.976 1.00 0.00 H new ATOM 0 HG2 LYS B 236 14.960 -6.299 8.758 1.00 0.00 H new ATOM 0 HG3 LYS B 236 15.548 -5.212 10.001 1.00 0.00 H new ATOM 0 HD2 LYS B 236 13.908 -5.991 11.593 1.00 0.00 H new ATOM 0 HD3 LYS B 236 13.007 -6.844 10.355 1.00 0.00 H new ATOM 0 HE2 LYS B 236 15.335 -8.124 10.025 1.00 0.00 H new ATOM 0 HE3 LYS B 236 15.604 -7.595 11.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 14.567 -9.774 11.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 13.511 -8.652 12.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 13.251 -9.165 10.728 1.00 0.00 H new ATOM 1382 N LEU B 237 11.135 -3.280 7.509 1.00 0.00 N ATOM 1383 CA LEU B 237 9.985 -2.370 7.502 1.00 0.00 C ATOM 1384 C LEU B 237 8.759 -3.047 6.856 1.00 0.00 C ATOM 1385 O LEU B 237 7.633 -2.560 6.972 1.00 0.00 O ATOM 1386 CB LEU B 237 10.342 -1.081 6.744 1.00 0.00 C ATOM 1387 CG LEU B 237 9.914 0.227 7.421 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.403 0.290 7.554 1.00 0.00 C ATOM 1389 CD2 LEU B 237 10.578 0.371 8.782 1.00 0.00 C ATOM 0 H LEU B 237 11.801 -3.117 6.754 1.00 0.00 H new ATOM 0 HA LEU B 237 9.733 -2.119 8.532 1.00 0.00 H new ATOM 0 HB2 LEU B 237 11.421 -1.056 6.595 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.885 -1.124 5.755 1.00 0.00 H new ATOM 0 HG LEU B 237 10.238 1.058 6.794 1.00 0.00 H new ATOM 0 HD11 LEU B 237 8.119 1.225 8.037 1.00 0.00 H new ATOM 0 HD12 LEU B 237 7.948 0.239 6.565 1.00 0.00 H new ATOM 0 HD13 LEU B 237 8.055 -0.549 8.156 1.00 0.00 H new ATOM 0 HD21 LEU B 237 10.261 1.306 9.245 1.00 0.00 H new ATOM 0 HD22 LEU B 237 10.289 -0.465 9.418 1.00 0.00 H new ATOM 0 HD23 LEU B 237 11.661 0.376 8.660 1.00 0.00 H new HETATM 1401 N NLE B 238 8.992 -4.181 6.186 1.00 0.00 N HETATM 1402 CA NLE B 238 7.933 -4.942 5.528 1.00 0.00 C HETATM 1403 C NLE B 238 7.117 -5.757 6.536 1.00 0.00 C HETATM 1404 O NLE B 238 5.896 -5.858 6.415 1.00 0.00 O HETATM 1405 CB NLE B 238 8.542 -5.867 4.469 1.00 0.00 C HETATM 1406 CG NLE B 238 8.015 -5.614 3.072 1.00 0.00 C HETATM 1407 CD NLE B 238 8.875 -4.613 2.320 1.00 0.00 C HETATM 1408 CE NLE B 238 8.119 -3.857 1.256 1.00 0.00 C HETATM 0 HG3 NLE B 238 7.982 -6.553 2.520 1.00 0.00 H new HETATM 0 HG2 NLE B 238 6.992 -5.243 3.131 1.00 0.00 H new HETATM 0 HE3 NLE B 238 7.719 -4.560 0.525 1.00 0.00 H new HETATM 0 HE2 NLE B 238 7.299 -3.305 1.715 1.00 0.00 H new HETATM 0 HE1 NLE B 238 8.792 -3.159 0.758 1.00 0.00 H new HETATM 0 HD3 NLE B 238 9.298 -3.902 3.030 1.00 0.00 H new HETATM 0 HD2 NLE B 238 9.711 -5.138 1.858 1.00 0.00 H new HETATM 0 HB3 NLE B 238 9.625 -5.742 4.468 1.00 0.00 H new HETATM 0 HB2 NLE B 238 8.340 -6.903 4.743 1.00 0.00 H new HETATM 0 HA NLE B 238 7.255 -4.236 5.048 1.00 0.00 H new ATOM 1420 N GLU B 239 7.789 -6.327 7.541 1.00 0.00 N ATOM 1421 CA GLU B 239 7.099 -7.111 8.567 1.00 0.00 C ATOM 1422 C GLU B 239 6.071 -6.246 9.307 1.00 0.00 C ATOM 1423 O GLU B 239 5.075 -6.756 9.823 1.00 0.00 O ATOM 1424 CB GLU B 239 8.103 -7.737 9.547 1.00 0.00 C ATOM 1425 CG GLU B 239 8.689 -6.765 10.567 1.00 0.00 C ATOM 1426 CD GLU B 239 9.914 -7.323 11.269 1.00 0.00 C ATOM 1427 OE1 GLU B 239 9.796 -8.376 11.928 1.00 0.00 O ATOM 1428 OE2 GLU B 239 10.992 -6.708 11.156 1.00 0.00 O ATOM 0 H GLU B 239 8.799 -6.261 7.665 1.00 0.00 H new ATOM 0 HA GLU B 239 6.565 -7.924 8.074 1.00 0.00 H new ATOM 0 HB2 GLU B 239 7.610 -8.550 10.081 1.00 0.00 H new ATOM 0 HB3 GLU B 239 8.919 -8.179 8.976 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.955 -5.834 10.065 1.00 0.00 H new ATOM 0 HG3 GLU B 239 7.929 -6.521 11.309 1.00 0.00 H new ATOM 1435 N ILE B 240 6.304 -4.926 9.325 1.00 0.00 N ATOM 1436 CA ILE B 240 5.387 -3.985 9.967 1.00 0.00 C ATOM 1437 C ILE B 240 4.072 -3.872 9.182 1.00 0.00 C ATOM 1438 O ILE B 240 3.050 -3.457 9.729 1.00 0.00 O ATOM 1439 CB ILE B 240 6.010 -2.574 10.102 1.00 0.00 C ATOM 1440 CG1 ILE B 240 7.289 -2.621 10.934 1.00 0.00 C ATOM 1441 CG2 ILE B 240 5.012 -1.612 10.736 1.00 0.00 C ATOM 1442 CD1 ILE B 240 8.145 -1.381 10.780 1.00 0.00 C ATOM 0 H ILE B 240 7.122 -4.489 8.900 1.00 0.00 H new ATOM 0 HA ILE B 240 5.187 -4.379 10.963 1.00 0.00 H new ATOM 0 HB ILE B 240 6.261 -2.218 9.103 1.00 0.00 H new ATOM 0 HG12 ILE B 240 7.027 -2.746 11.985 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.872 -3.495 10.644 1.00 0.00 H new ATOM 0 HG21 ILE B 240 5.464 -0.624 10.824 1.00 0.00 H new ATOM 0 HG22 ILE B 240 4.121 -1.548 10.112 1.00 0.00 H new ATOM 0 HG23 ILE B 240 4.736 -1.974 11.726 1.00 0.00 H new ATOM 0 HD11 ILE B 240 9.039 -1.477 11.397 1.00 0.00 H new ATOM 0 HD12 ILE B 240 8.435 -1.267 9.736 1.00 0.00 H new ATOM 0 HD13 ILE B 240 7.578 -0.506 11.097 1.00 0.00 H new ATOM 1454 N ILE B 241 4.105 -4.245 7.898 1.00 0.00 N ATOM 1455 CA ILE B 241 2.921 -4.182 7.044 1.00 0.00 C ATOM 1456 C ILE B 241 1.926 -5.289 7.402 1.00 0.00 C ATOM 1457 O ILE B 241 0.760 -5.022 7.706 1.00 0.00 O ATOM 1458 CB ILE B 241 3.295 -4.295 5.542 1.00 0.00 C ATOM 1459 CG1 ILE B 241 4.531 -3.453 5.206 1.00 0.00 C ATOM 1460 CG2 ILE B 241 2.134 -3.853 4.671 1.00 0.00 C ATOM 1461 CD1 ILE B 241 4.451 -2.028 5.704 1.00 0.00 C ATOM 0 H ILE B 241 4.941 -4.594 7.430 1.00 0.00 H new ATOM 0 HA ILE B 241 2.457 -3.211 7.217 1.00 0.00 H new ATOM 0 HB ILE B 241 3.524 -5.342 5.342 1.00 0.00 H new ATOM 0 HG12 ILE B 241 5.412 -3.930 5.636 1.00 0.00 H new ATOM 0 HG13 ILE B 241 4.670 -3.443 4.125 1.00 0.00 H new ATOM 0 HG21 ILE B 241 2.414 -3.939 3.621 1.00 0.00 H new ATOM 0 HG22 ILE B 241 1.269 -4.486 4.869 1.00 0.00 H new ATOM 0 HG23 ILE B 241 1.884 -2.816 4.896 1.00 0.00 H new ATOM 0 HD11 ILE B 241 5.361 -1.495 5.429 1.00 0.00 H new ATOM 0 HD12 ILE B 241 3.590 -1.533 5.254 1.00 0.00 H new ATOM 0 HD13 ILE B 241 4.344 -2.027 6.789 1.00 0.00 H new TER 1473 ILE B 241