USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 CYS SG : rot -1:sc= -0.069 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -135:sc= 0.00688 (180deg=0) USER MOD Set 2.1: A 48 MET CE :methyl -171:sc= 0 (180deg=-0.149) USER MOD Set 2.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 CYS SG : rot 180:sc= -2.01! USER MOD Set 3.2: A 41 LYS NZ :NH3+ -142:sc= -2.02! (180deg=0) USER MOD Set 4.1: A 13 ASN : amide:sc= -0.199 K(o=-1.4,f=-3.5!) USER MOD Set 4.2: A 25 TYR OH : rot 110:sc= -1.21 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00179 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00735 USER MOD Single : A 8 TYR OH : rot -103:sc= 0.86 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.6 K(o=-1.6,f=-5!) USER MOD Single : A 18 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.505) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.345 K(o=-0.34,f=-2.4!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 CYS SG : rot -159:sc= -7.05! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.0002) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -30:sc= -0.924 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 58 GLN : amide:sc= -0.0417 K(o=-0.042,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.998 K(o=-1,f=-5.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0.608 (180deg=0.608) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0218) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0121) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.528 -9.741 -19.357 1.00 0.00 N ATOM 2 CA GLY A 1 8.864 -10.895 -18.543 1.00 0.00 C ATOM 3 C GLY A 1 8.132 -10.902 -17.216 1.00 0.00 C ATOM 4 O GLY A 1 6.927 -11.145 -17.166 1.00 0.00 O ATOM 0 H1 GLY A 1 9.054 -9.783 -20.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.507 -9.741 -19.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.782 -8.871 -18.847 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.623 -11.805 -19.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.939 -10.907 -18.362 1.00 0.00 H new ATOM 8 N SER A 2 8.863 -10.636 -16.138 1.00 0.00 N ATOM 9 CA SER A 2 8.276 -10.618 -14.803 1.00 0.00 C ATOM 10 C SER A 2 7.411 -9.377 -14.606 1.00 0.00 C ATOM 11 O SER A 2 6.309 -9.455 -14.063 1.00 0.00 O ATOM 12 CB SER A 2 9.375 -10.661 -13.739 1.00 0.00 C ATOM 13 OG SER A 2 10.345 -9.653 -13.967 1.00 0.00 O ATOM 0 H SER A 2 9.862 -10.430 -16.163 1.00 0.00 H new ATOM 0 HA SER A 2 7.644 -11.500 -14.699 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.934 -10.529 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.854 -11.640 -13.746 1.00 0.00 H new ATOM 0 HG SER A 2 11.035 -9.700 -13.273 1.00 0.00 H new ATOM 19 N SER A 3 7.919 -8.233 -15.053 1.00 0.00 N ATOM 20 CA SER A 3 7.196 -6.973 -14.923 1.00 0.00 C ATOM 21 C SER A 3 5.743 -7.133 -15.363 1.00 0.00 C ATOM 22 O SER A 3 5.430 -7.956 -16.222 1.00 0.00 O ATOM 23 CB SER A 3 7.875 -5.883 -15.754 1.00 0.00 C ATOM 24 OG SER A 3 9.119 -5.510 -15.187 1.00 0.00 O ATOM 0 H SER A 3 8.828 -8.153 -15.508 1.00 0.00 H new ATOM 0 HA SER A 3 7.210 -6.681 -13.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.028 -6.240 -16.772 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.224 -5.011 -15.817 1.00 0.00 H new ATOM 0 HG SER A 3 9.534 -4.813 -15.738 1.00 0.00 H new ATOM 30 N GLY A 4 4.860 -6.338 -14.767 1.00 0.00 N ATOM 31 CA GLY A 4 3.451 -6.407 -15.109 1.00 0.00 C ATOM 32 C GLY A 4 2.604 -5.475 -14.265 1.00 0.00 C ATOM 33 O GLY A 4 2.835 -5.332 -13.064 1.00 0.00 O ATOM 0 H GLY A 4 5.095 -5.648 -14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.323 -6.156 -16.162 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.099 -7.430 -14.980 1.00 0.00 H new ATOM 37 N SER A 5 1.621 -4.839 -14.894 1.00 0.00 N ATOM 38 CA SER A 5 0.739 -3.912 -14.194 1.00 0.00 C ATOM 39 C SER A 5 -0.521 -4.622 -13.709 1.00 0.00 C ATOM 40 O SER A 5 -1.631 -4.113 -13.861 1.00 0.00 O ATOM 41 CB SER A 5 0.361 -2.746 -15.109 1.00 0.00 C ATOM 42 OG SER A 5 -0.315 -3.205 -16.267 1.00 0.00 O ATOM 0 H SER A 5 1.415 -4.949 -15.887 1.00 0.00 H new ATOM 0 HA SER A 5 1.274 -3.525 -13.326 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.274 -2.045 -14.567 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.260 -2.202 -15.400 1.00 0.00 H new ATOM 0 HG SER A 5 -0.547 -2.441 -16.835 1.00 0.00 H new ATOM 48 N SER A 6 -0.340 -5.802 -13.124 1.00 0.00 N ATOM 49 CA SER A 6 -1.461 -6.585 -12.619 1.00 0.00 C ATOM 50 C SER A 6 -2.179 -5.844 -11.495 1.00 0.00 C ATOM 51 O SER A 6 -3.408 -5.823 -11.437 1.00 0.00 O ATOM 52 CB SER A 6 -0.976 -7.947 -12.118 1.00 0.00 C ATOM 53 OG SER A 6 -0.062 -7.800 -11.045 1.00 0.00 O ATOM 0 H SER A 6 0.573 -6.236 -12.988 1.00 0.00 H new ATOM 0 HA SER A 6 -2.164 -6.737 -13.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.829 -8.544 -11.794 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.499 -8.489 -12.934 1.00 0.00 H new ATOM 0 HG SER A 6 0.232 -8.684 -10.742 1.00 0.00 H new ATOM 59 N GLY A 7 -1.402 -5.237 -10.603 1.00 0.00 N ATOM 60 CA GLY A 7 -1.980 -4.503 -9.493 1.00 0.00 C ATOM 61 C GLY A 7 -1.345 -4.865 -8.165 1.00 0.00 C ATOM 62 O GLY A 7 -1.526 -5.975 -7.664 1.00 0.00 O ATOM 0 H GLY A 7 -0.382 -5.241 -10.630 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.863 -3.434 -9.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.050 -4.703 -9.447 1.00 0.00 H new ATOM 66 N TYR A 8 -0.596 -3.928 -7.595 1.00 0.00 N ATOM 67 CA TYR A 8 0.072 -4.156 -6.319 1.00 0.00 C ATOM 68 C TYR A 8 -0.768 -3.624 -5.161 1.00 0.00 C ATOM 69 O TYR A 8 -0.671 -4.112 -4.035 1.00 0.00 O ATOM 70 CB TYR A 8 1.448 -3.487 -6.314 1.00 0.00 C ATOM 71 CG TYR A 8 2.089 -3.411 -7.681 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.673 -2.468 -8.613 1.00 0.00 C ATOM 73 CD2 TYR A 8 3.110 -4.281 -8.042 1.00 0.00 C ATOM 74 CE1 TYR A 8 2.255 -2.394 -9.864 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.699 -4.214 -9.289 1.00 0.00 C ATOM 76 CZ TYR A 8 3.268 -3.269 -10.197 1.00 0.00 C ATOM 77 OH TYR A 8 3.851 -3.199 -11.441 1.00 0.00 O ATOM 0 H TYR A 8 -0.436 -3.004 -7.996 1.00 0.00 H new ATOM 0 HA TYR A 8 0.197 -5.231 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.351 -2.479 -5.911 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.108 -4.037 -5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.881 -1.781 -8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.449 -5.023 -7.335 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.919 -1.656 -10.577 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.493 -4.898 -9.552 1.00 0.00 H new ATOM 0 HH TYR A 8 3.510 -3.925 -12.003 1.00 0.00 H new ATOM 87 N ILE A 9 -1.592 -2.623 -5.449 1.00 0.00 N ATOM 88 CA ILE A 9 -2.451 -2.026 -4.433 1.00 0.00 C ATOM 89 C ILE A 9 -2.958 -3.079 -3.454 1.00 0.00 C ATOM 90 O ILE A 9 -2.999 -2.850 -2.246 1.00 0.00 O ATOM 91 CB ILE A 9 -3.657 -1.308 -5.067 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.200 -0.431 -6.235 1.00 0.00 C ATOM 93 CG2 ILE A 9 -4.384 -0.472 -4.024 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.050 0.489 -5.887 1.00 0.00 C ATOM 0 H ILE A 9 -1.683 -2.208 -6.376 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.845 -1.296 -3.896 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.348 -2.059 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.903 -1.072 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.043 0.168 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.234 0.029 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.738 -1.119 -3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.702 0.273 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.779 1.080 -6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.349 1.155 -5.077 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.192 -0.104 -5.571 1.00 0.00 H new ATOM 106 N GLY A 10 -3.343 -4.236 -3.984 1.00 0.00 N ATOM 107 CA GLY A 10 -3.841 -5.309 -3.143 1.00 0.00 C ATOM 108 C GLY A 10 -2.745 -6.264 -2.712 1.00 0.00 C ATOM 109 O GLY A 10 -2.888 -6.977 -1.718 1.00 0.00 O ATOM 0 H GLY A 10 -3.319 -4.449 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.316 -4.883 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.610 -5.862 -3.682 1.00 0.00 H new ATOM 113 N LEU A 11 -1.649 -6.281 -3.462 1.00 0.00 N ATOM 114 CA LEU A 11 -0.524 -7.157 -3.153 1.00 0.00 C ATOM 115 C LEU A 11 -0.025 -6.922 -1.731 1.00 0.00 C ATOM 116 O LEU A 11 0.087 -7.858 -0.939 1.00 0.00 O ATOM 117 CB LEU A 11 0.614 -6.929 -4.149 1.00 0.00 C ATOM 118 CG LEU A 11 0.463 -7.613 -5.509 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.575 -7.179 -6.451 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.459 -9.126 -5.347 1.00 0.00 C ATOM 0 H LEU A 11 -1.515 -5.698 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.867 -8.189 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.717 -5.856 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.543 -7.272 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.491 -7.311 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.451 -7.676 -7.413 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.532 -6.099 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.540 -7.451 -6.024 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.351 -9.596 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.397 -9.446 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.373 -9.421 -4.708 1.00 0.00 H new ATOM 132 N VAL A 12 0.271 -5.666 -1.413 1.00 0.00 N ATOM 133 CA VAL A 12 0.755 -5.307 -0.085 1.00 0.00 C ATOM 134 C VAL A 12 -0.329 -5.509 0.968 1.00 0.00 C ATOM 135 O VAL A 12 -0.036 -5.786 2.130 1.00 0.00 O ATOM 136 CB VAL A 12 1.234 -3.845 -0.039 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.083 -2.895 -0.332 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.863 -3.533 1.311 1.00 0.00 C ATOM 0 H VAL A 12 0.184 -4.880 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 12 1.597 -5.964 0.134 1.00 0.00 H new ATOM 0 HB VAL A 12 1.993 -3.706 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.442 -1.866 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.318 -3.104 -1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.701 -3.033 0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.196 -2.495 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.127 -3.689 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.717 -4.190 1.475 1.00 0.00 H new ATOM 148 N ASN A 13 -1.584 -5.368 0.552 1.00 0.00 N ATOM 149 CA ASN A 13 -2.713 -5.534 1.459 1.00 0.00 C ATOM 150 C ASN A 13 -2.803 -6.974 1.957 1.00 0.00 C ATOM 151 O ASN A 13 -3.200 -7.224 3.095 1.00 0.00 O ATOM 152 CB ASN A 13 -4.017 -5.142 0.762 1.00 0.00 C ATOM 153 CG ASN A 13 -4.307 -3.657 0.872 1.00 0.00 C ATOM 154 OD1 ASN A 13 -3.761 -2.969 1.734 1.00 0.00 O ATOM 155 ND2 ASN A 13 -5.171 -3.157 -0.004 1.00 0.00 N ATOM 0 H ASN A 13 -1.844 -5.139 -0.407 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.557 -4.880 2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.962 -5.422 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.843 -5.704 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.406 -2.165 0.021 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.600 -3.765 -0.702 1.00 0.00 H new ATOM 162 N SER A 14 -2.432 -7.916 1.097 1.00 0.00 N ATOM 163 CA SER A 14 -2.473 -9.331 1.448 1.00 0.00 C ATOM 164 C SER A 14 -1.136 -9.788 2.023 1.00 0.00 C ATOM 165 O SER A 14 -1.088 -10.468 3.048 1.00 0.00 O ATOM 166 CB SER A 14 -2.827 -10.172 0.220 1.00 0.00 C ATOM 167 OG SER A 14 -4.227 -10.190 0.000 1.00 0.00 O ATOM 0 H SER A 14 -2.099 -7.725 0.152 1.00 0.00 H new ATOM 0 HA SER A 14 -3.241 -9.469 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.323 -9.769 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.464 -11.191 0.356 1.00 0.00 H new ATOM 0 HG SER A 14 -4.427 -10.733 -0.791 1.00 0.00 H new ATOM 173 N PHE A 15 -0.051 -9.408 1.355 1.00 0.00 N ATOM 174 CA PHE A 15 1.288 -9.779 1.798 1.00 0.00 C ATOM 175 C PHE A 15 1.465 -9.498 3.287 1.00 0.00 C ATOM 176 O PHE A 15 1.971 -10.337 4.032 1.00 0.00 O ATOM 177 CB PHE A 15 2.343 -9.016 0.995 1.00 0.00 C ATOM 178 CG PHE A 15 3.687 -9.686 0.982 1.00 0.00 C ATOM 179 CD1 PHE A 15 3.949 -10.727 0.106 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.688 -9.275 1.848 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.185 -11.345 0.092 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.926 -9.890 1.838 1.00 0.00 C ATOM 183 CZ PHE A 15 6.175 -10.927 0.960 1.00 0.00 C ATOM 0 H PHE A 15 -0.073 -8.844 0.506 1.00 0.00 H new ATOM 0 HA PHE A 15 1.416 -10.848 1.630 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.994 -8.900 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.450 -8.014 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.178 -11.059 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.499 -8.466 2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.377 -12.154 -0.597 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.699 -9.560 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.141 -11.410 0.952 1.00 0.00 H new ATOM 193 N ALA A 16 1.045 -8.311 3.714 1.00 0.00 N ATOM 194 CA ALA A 16 1.156 -7.919 5.113 1.00 0.00 C ATOM 195 C ALA A 16 0.603 -9.003 6.032 1.00 0.00 C ATOM 196 O ALA A 16 1.324 -9.549 6.867 1.00 0.00 O ATOM 197 CB ALA A 16 0.432 -6.603 5.352 1.00 0.00 C ATOM 0 H ALA A 16 0.625 -7.604 3.110 1.00 0.00 H new ATOM 0 HA ALA A 16 2.213 -7.787 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.523 -6.323 6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.875 -5.826 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.622 -6.716 5.097 1.00 0.00 H new ATOM 203 N GLN A 17 -0.681 -9.309 5.873 1.00 0.00 N ATOM 204 CA GLN A 17 -1.330 -10.328 6.690 1.00 0.00 C ATOM 205 C GLN A 17 -0.507 -11.611 6.716 1.00 0.00 C ATOM 206 O GLN A 17 -0.172 -12.125 7.784 1.00 0.00 O ATOM 207 CB GLN A 17 -2.735 -10.619 6.159 1.00 0.00 C ATOM 208 CG GLN A 17 -3.680 -11.175 7.211 1.00 0.00 C ATOM 209 CD GLN A 17 -3.385 -12.622 7.554 1.00 0.00 C ATOM 210 OE1 GLN A 17 -2.667 -13.310 6.828 1.00 0.00 O ATOM 211 NE2 GLN A 17 -3.940 -13.093 8.665 1.00 0.00 N ATOM 0 H GLN A 17 -1.292 -8.866 5.187 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.406 -9.947 7.708 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.158 -9.701 5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.663 -11.329 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.608 -10.570 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.706 -11.092 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.528 -12.488 9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.778 -14.060 8.946 1.00 0.00 H new ATOM 220 N LYS A 18 -0.184 -12.125 5.534 1.00 0.00 N ATOM 221 CA LYS A 18 0.601 -13.348 5.420 1.00 0.00 C ATOM 222 C LYS A 18 1.880 -13.253 6.246 1.00 0.00 C ATOM 223 O LYS A 18 2.314 -14.232 6.853 1.00 0.00 O ATOM 224 CB LYS A 18 0.947 -13.622 3.955 1.00 0.00 C ATOM 225 CG LYS A 18 -0.271 -13.840 3.073 1.00 0.00 C ATOM 226 CD LYS A 18 0.121 -14.024 1.616 1.00 0.00 C ATOM 227 CE LYS A 18 0.367 -15.488 1.286 1.00 0.00 C ATOM 228 NZ LYS A 18 1.788 -15.875 1.506 1.00 0.00 N ATOM 0 H LYS A 18 -0.454 -11.713 4.641 1.00 0.00 H new ATOM 0 HA LYS A 18 0.001 -14.172 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.523 -12.784 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.587 -14.502 3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.818 -14.718 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.945 -12.988 3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.668 -13.633 0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.021 -13.446 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.279 -16.113 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.096 -15.677 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.023 -16.691 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.407 -15.076 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.928 -16.129 2.505 1.00 0.00 H new ATOM 242 N LYS A 19 2.480 -12.068 6.265 1.00 0.00 N ATOM 243 CA LYS A 19 3.708 -11.843 7.018 1.00 0.00 C ATOM 244 C LYS A 19 3.400 -11.316 8.416 1.00 0.00 C ATOM 245 O LYS A 19 4.246 -10.690 9.055 1.00 0.00 O ATOM 246 CB LYS A 19 4.612 -10.855 6.277 1.00 0.00 C ATOM 247 CG LYS A 19 5.417 -11.490 5.156 1.00 0.00 C ATOM 248 CD LYS A 19 6.730 -10.760 4.930 1.00 0.00 C ATOM 249 CE LYS A 19 7.540 -11.403 3.814 1.00 0.00 C ATOM 250 NZ LYS A 19 8.349 -12.552 4.306 1.00 0.00 N ATOM 0 H LYS A 19 2.135 -11.247 5.767 1.00 0.00 H new ATOM 0 HA LYS A 19 4.225 -12.798 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.999 -10.054 5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.297 -10.397 6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.617 -12.534 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.832 -11.481 4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.530 -9.718 4.682 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.312 -10.762 5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.867 -11.743 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.200 -10.658 3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.886 -12.962 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.009 -12.223 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.718 -13.274 4.707 1.00 0.00 H new ATOM 264 N LYS A 20 2.185 -11.575 8.886 1.00 0.00 N ATOM 265 CA LYS A 20 1.765 -11.129 10.210 1.00 0.00 C ATOM 266 C LYS A 20 2.209 -9.693 10.467 1.00 0.00 C ATOM 267 O LYS A 20 2.562 -9.333 11.591 1.00 0.00 O ATOM 268 CB LYS A 20 2.340 -12.052 11.287 1.00 0.00 C ATOM 269 CG LYS A 20 1.879 -13.494 11.162 1.00 0.00 C ATOM 270 CD LYS A 20 0.523 -13.704 11.814 1.00 0.00 C ATOM 271 CE LYS A 20 0.658 -13.994 13.301 1.00 0.00 C ATOM 272 NZ LYS A 20 -0.663 -13.994 13.988 1.00 0.00 N ATOM 0 H LYS A 20 1.473 -12.092 8.370 1.00 0.00 H new ATOM 0 HA LYS A 20 0.676 -11.167 10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.428 -12.022 11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.056 -11.672 12.268 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.824 -13.769 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.613 -14.153 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.093 -12.816 11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.008 -14.532 11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.140 -14.962 13.440 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.306 -13.247 13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.528 -14.195 14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.112 -13.062 13.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.273 -14.724 13.568 1.00 0.00 H new ATOM 286 N LEU A 21 2.189 -8.876 9.419 1.00 0.00 N ATOM 287 CA LEU A 21 2.588 -7.477 9.532 1.00 0.00 C ATOM 288 C LEU A 21 1.381 -6.588 9.817 1.00 0.00 C ATOM 289 O LEU A 21 0.240 -7.048 9.795 1.00 0.00 O ATOM 290 CB LEU A 21 3.281 -7.019 8.247 1.00 0.00 C ATOM 291 CG LEU A 21 4.768 -7.357 8.130 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.204 -7.348 6.674 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.602 -6.379 8.945 1.00 0.00 C ATOM 0 H LEU A 21 1.901 -9.158 8.482 1.00 0.00 H new ATOM 0 HA LEU A 21 3.285 -7.389 10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.760 -7.463 7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.167 -5.938 8.161 1.00 0.00 H new ATOM 0 HG LEU A 21 4.926 -8.359 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.265 -7.591 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.629 -8.088 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.032 -6.359 6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.657 -6.634 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.439 -5.366 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.308 -6.435 9.993 1.00 0.00 H new ATOM 305 N SER A 22 1.643 -5.312 10.082 1.00 0.00 N ATOM 306 CA SER A 22 0.579 -4.358 10.373 1.00 0.00 C ATOM 307 C SER A 22 0.601 -3.201 9.380 1.00 0.00 C ATOM 308 O SER A 22 1.526 -2.388 9.376 1.00 0.00 O ATOM 309 CB SER A 22 0.720 -3.824 11.800 1.00 0.00 C ATOM 310 OG SER A 22 0.049 -4.661 12.726 1.00 0.00 O ATOM 0 H SER A 22 2.582 -4.915 10.101 1.00 0.00 H new ATOM 0 HA SER A 22 -0.376 -4.876 10.280 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.775 -3.757 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.313 -2.815 11.856 1.00 0.00 H new ATOM 0 HG SER A 22 0.155 -4.299 13.631 1.00 0.00 H new ATOM 316 N VAL A 23 -0.425 -3.132 8.538 1.00 0.00 N ATOM 317 CA VAL A 23 -0.526 -2.074 7.540 1.00 0.00 C ATOM 318 C VAL A 23 -1.636 -1.090 7.892 1.00 0.00 C ATOM 319 O VAL A 23 -2.794 -1.476 8.049 1.00 0.00 O ATOM 320 CB VAL A 23 -0.791 -2.649 6.136 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.276 -2.910 5.937 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.258 -1.709 5.066 1.00 0.00 C ATOM 0 H VAL A 23 -1.199 -3.797 8.527 1.00 0.00 H new ATOM 0 HA VAL A 23 0.431 -1.552 7.536 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.265 -3.599 6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.444 -3.316 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.623 -3.625 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.827 -1.976 6.046 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.454 -2.131 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.754 -0.742 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.816 -1.579 5.198 1.00 0.00 H new ATOM 332 N ASN A 24 -1.275 0.183 8.013 1.00 0.00 N ATOM 333 CA ASN A 24 -2.241 1.224 8.346 1.00 0.00 C ATOM 334 C ASN A 24 -2.257 2.314 7.279 1.00 0.00 C ATOM 335 O ASN A 24 -1.312 2.450 6.502 1.00 0.00 O ATOM 336 CB ASN A 24 -1.914 1.834 9.710 1.00 0.00 C ATOM 337 CG ASN A 24 -2.508 1.040 10.857 1.00 0.00 C ATOM 338 OD1 ASN A 24 -1.785 0.519 11.707 1.00 0.00 O ATOM 339 ND2 ASN A 24 -3.832 0.944 10.887 1.00 0.00 N ATOM 0 H ASN A 24 -0.320 0.519 7.885 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.230 0.767 8.387 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.832 1.887 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.290 2.857 9.747 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.289 0.423 11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.392 1.392 10.162 1.00 0.00 H new ATOM 346 N TYR A 25 -3.336 3.087 7.248 1.00 0.00 N ATOM 347 CA TYR A 25 -3.477 4.164 6.275 1.00 0.00 C ATOM 348 C TYR A 25 -3.845 5.475 6.963 1.00 0.00 C ATOM 349 O TYR A 25 -4.960 5.636 7.459 1.00 0.00 O ATOM 350 CB TYR A 25 -4.539 3.805 5.235 1.00 0.00 C ATOM 351 CG TYR A 25 -4.019 2.929 4.117 1.00 0.00 C ATOM 352 CD1 TYR A 25 -4.022 1.544 4.235 1.00 0.00 C ATOM 353 CD2 TYR A 25 -3.525 3.485 2.944 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.548 0.740 3.217 1.00 0.00 C ATOM 355 CE2 TYR A 25 -3.051 2.689 1.920 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.064 1.317 2.061 1.00 0.00 C ATOM 357 OH TYR A 25 -2.591 0.520 1.044 1.00 0.00 O ATOM 0 H TYR A 25 -4.126 2.988 7.885 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.518 4.294 5.774 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.364 3.294 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.943 4.723 4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.401 1.089 5.138 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.511 4.559 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.556 -0.335 3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.672 3.138 1.014 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.209 0.558 0.284 1.00 0.00 H new ATOM 367 N GLU A 26 -2.900 6.409 6.988 1.00 0.00 N ATOM 368 CA GLU A 26 -3.125 7.706 7.615 1.00 0.00 C ATOM 369 C GLU A 26 -3.686 8.707 6.609 1.00 0.00 C ATOM 370 O GLU A 26 -3.221 8.786 5.472 1.00 0.00 O ATOM 371 CB GLU A 26 -1.822 8.243 8.211 1.00 0.00 C ATOM 372 CG GLU A 26 -2.011 9.478 9.076 1.00 0.00 C ATOM 373 CD GLU A 26 -2.679 9.165 10.401 1.00 0.00 C ATOM 374 OE1 GLU A 26 -2.262 8.189 11.059 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.618 9.896 10.780 1.00 0.00 O ATOM 0 H GLU A 26 -1.972 6.292 6.582 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.854 7.572 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.356 7.459 8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.132 8.479 7.401 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.041 9.939 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.612 10.208 8.534 1.00 0.00 H new ATOM 382 N GLN A 27 -4.689 9.468 7.036 1.00 0.00 N ATOM 383 CA GLN A 27 -5.314 10.462 6.173 1.00 0.00 C ATOM 384 C GLN A 27 -5.108 11.869 6.724 1.00 0.00 C ATOM 385 O GLN A 27 -5.158 12.085 7.936 1.00 0.00 O ATOM 386 CB GLN A 27 -6.809 10.173 6.026 1.00 0.00 C ATOM 387 CG GLN A 27 -7.507 11.073 5.020 1.00 0.00 C ATOM 388 CD GLN A 27 -8.978 11.266 5.331 1.00 0.00 C ATOM 389 OE1 GLN A 27 -9.444 10.931 6.420 1.00 0.00 O ATOM 390 NE2 GLN A 27 -9.720 11.809 4.372 1.00 0.00 N ATOM 0 H GLN A 27 -5.086 9.415 7.974 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.841 10.403 5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.942 9.134 5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.290 10.287 6.998 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.013 12.044 5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.404 10.645 4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.293 12.072 3.484 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.717 11.963 4.524 1.00 0.00 H new ATOM 399 N CYS A 28 -4.876 12.822 5.828 1.00 0.00 N ATOM 400 CA CYS A 28 -4.661 14.209 6.225 1.00 0.00 C ATOM 401 C CYS A 28 -5.982 14.969 6.284 1.00 0.00 C ATOM 402 O CYS A 28 -7.036 14.426 5.954 1.00 0.00 O ATOM 403 CB CYS A 28 -3.704 14.898 5.251 1.00 0.00 C ATOM 404 SG CYS A 28 -1.958 14.729 5.687 1.00 0.00 S ATOM 0 H CYS A 28 -4.832 12.660 4.822 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.217 14.211 7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.860 14.487 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.954 15.958 5.201 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.229 15.343 4.803 1.00 0.00 H new ATOM 410 N GLU A 29 -5.916 16.228 6.707 1.00 0.00 N ATOM 411 CA GLU A 29 -7.108 17.061 6.811 1.00 0.00 C ATOM 412 C GLU A 29 -7.256 17.955 5.583 1.00 0.00 C ATOM 413 O GLU A 29 -6.283 18.285 4.903 1.00 0.00 O ATOM 414 CB GLU A 29 -7.049 17.920 8.076 1.00 0.00 C ATOM 415 CG GLU A 29 -7.577 17.216 9.314 1.00 0.00 C ATOM 416 CD GLU A 29 -7.951 18.184 10.420 1.00 0.00 C ATOM 417 OE1 GLU A 29 -9.074 18.728 10.377 1.00 0.00 O ATOM 418 OE2 GLU A 29 -7.121 18.398 11.328 1.00 0.00 O ATOM 0 H GLU A 29 -5.051 16.692 6.983 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.975 16.403 6.867 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.017 18.222 8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.624 18.831 7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.451 16.622 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.821 16.522 9.683 1.00 0.00 H new ATOM 425 N PRO A 30 -8.502 18.356 5.289 1.00 0.00 N ATOM 426 CA PRO A 30 -8.807 19.216 4.143 1.00 0.00 C ATOM 427 C PRO A 30 -8.289 20.638 4.330 1.00 0.00 C ATOM 428 O PRO A 30 -8.042 21.075 5.453 1.00 0.00 O ATOM 429 CB PRO A 30 -10.337 19.208 4.090 1.00 0.00 C ATOM 430 CG PRO A 30 -10.762 18.910 5.487 1.00 0.00 C ATOM 431 CD PRO A 30 -9.708 18.000 6.055 1.00 0.00 C ATOM 0 HA PRO A 30 -8.333 18.859 3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.727 20.169 3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.705 18.454 3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.845 19.825 6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.741 18.431 5.503 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.569 18.164 7.123 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.971 16.950 5.926 1.00 0.00 H new ATOM 439 N ASN A 31 -8.126 21.354 3.223 1.00 0.00 N ATOM 440 CA ASN A 31 -7.636 22.728 3.266 1.00 0.00 C ATOM 441 C ASN A 31 -8.773 23.718 3.032 1.00 0.00 C ATOM 442 O ASN A 31 -9.698 23.448 2.265 1.00 0.00 O ATOM 443 CB ASN A 31 -6.541 22.934 2.218 1.00 0.00 C ATOM 444 CG ASN A 31 -5.356 22.012 2.430 1.00 0.00 C ATOM 445 OD1 ASN A 31 -4.525 22.243 3.309 1.00 0.00 O ATOM 446 ND2 ASN A 31 -5.273 20.959 1.624 1.00 0.00 N ATOM 0 H ASN A 31 -8.326 21.007 2.285 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.219 22.908 4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.956 22.765 1.225 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.202 23.970 2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.498 20.303 1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.984 20.807 0.909 1.00 0.00 H new ATOM 453 N SER A 32 -8.697 24.866 3.697 1.00 0.00 N ATOM 454 CA SER A 32 -9.720 25.896 3.564 1.00 0.00 C ATOM 455 C SER A 32 -9.697 26.508 2.167 1.00 0.00 C ATOM 456 O SER A 32 -10.671 27.121 1.730 1.00 0.00 O ATOM 457 CB SER A 32 -9.514 26.989 4.615 1.00 0.00 C ATOM 458 OG SER A 32 -9.585 26.455 5.926 1.00 0.00 O ATOM 0 H SER A 32 -7.937 25.106 4.334 1.00 0.00 H new ATOM 0 HA SER A 32 -10.692 25.429 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.545 27.465 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.271 27.763 4.493 1.00 0.00 H new ATOM 0 HG SER A 32 -9.449 27.173 6.579 1.00 0.00 H new ATOM 464 N GLU A 33 -8.577 26.336 1.471 1.00 0.00 N ATOM 465 CA GLU A 33 -8.427 26.872 0.123 1.00 0.00 C ATOM 466 C GLU A 33 -8.774 25.818 -0.924 1.00 0.00 C ATOM 467 O GLU A 33 -8.137 24.766 -0.997 1.00 0.00 O ATOM 468 CB GLU A 33 -6.997 27.371 -0.094 1.00 0.00 C ATOM 469 CG GLU A 33 -6.792 28.824 0.301 1.00 0.00 C ATOM 470 CD GLU A 33 -5.331 29.228 0.303 1.00 0.00 C ATOM 471 OE1 GLU A 33 -4.517 28.511 0.921 1.00 0.00 O ATOM 472 OE2 GLU A 33 -5.001 30.263 -0.314 1.00 0.00 O ATOM 0 H GLU A 33 -7.762 25.831 1.818 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.117 27.708 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.312 26.747 0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.734 27.248 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.341 29.465 -0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.212 28.990 1.293 1.00 0.00 H new ATOM 479 N LEU A 34 -9.788 26.106 -1.732 1.00 0.00 N ATOM 480 CA LEU A 34 -10.221 25.184 -2.775 1.00 0.00 C ATOM 481 C LEU A 34 -9.520 25.487 -4.096 1.00 0.00 C ATOM 482 O LEU A 34 -9.044 26.597 -4.334 1.00 0.00 O ATOM 483 CB LEU A 34 -11.738 25.266 -2.959 1.00 0.00 C ATOM 484 CG LEU A 34 -12.577 24.425 -1.996 1.00 0.00 C ATOM 485 CD1 LEU A 34 -12.884 25.211 -0.731 1.00 0.00 C ATOM 486 CD2 LEU A 34 -13.864 23.970 -2.669 1.00 0.00 C ATOM 0 H LEU A 34 -10.326 26.971 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.953 24.174 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.040 26.308 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.977 24.962 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.003 23.541 -1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.482 24.597 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.951 25.487 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -13.439 26.113 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.449 23.373 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -14.443 24.842 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.623 23.369 -3.546 1.00 0.00 H new ATOM 498 N PRO A 35 -9.456 24.478 -4.977 1.00 0.00 N ATOM 499 CA PRO A 35 -10.019 23.152 -4.705 1.00 0.00 C ATOM 500 C PRO A 35 -9.235 22.398 -3.636 1.00 0.00 C ATOM 501 O PRO A 35 -8.172 22.843 -3.204 1.00 0.00 O ATOM 502 CB PRO A 35 -9.909 22.436 -6.053 1.00 0.00 C ATOM 503 CG PRO A 35 -8.785 23.118 -6.754 1.00 0.00 C ATOM 504 CD PRO A 35 -8.829 24.553 -6.307 1.00 0.00 C ATOM 0 HA PRO A 35 -11.037 23.213 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.707 21.373 -5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.836 22.516 -6.621 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.830 22.659 -6.499 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.896 23.042 -7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.831 24.989 -6.257 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.412 25.169 -6.992 1.00 0.00 H new ATOM 512 N GLN A 36 -9.766 21.255 -3.214 1.00 0.00 N ATOM 513 CA GLN A 36 -9.115 20.440 -2.196 1.00 0.00 C ATOM 514 C GLN A 36 -8.958 18.999 -2.670 1.00 0.00 C ATOM 515 O GLN A 36 -9.941 18.329 -2.988 1.00 0.00 O ATOM 516 CB GLN A 36 -9.917 20.476 -0.894 1.00 0.00 C ATOM 517 CG GLN A 36 -11.378 20.097 -1.068 1.00 0.00 C ATOM 518 CD GLN A 36 -12.200 20.346 0.181 1.00 0.00 C ATOM 519 OE1 GLN A 36 -11.952 19.750 1.230 1.00 0.00 O ATOM 520 NE2 GLN A 36 -13.184 21.231 0.076 1.00 0.00 N ATOM 0 H GLN A 36 -10.645 20.873 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.123 20.854 -2.015 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.458 19.797 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.859 21.478 -0.469 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.801 20.667 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.446 19.043 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.354 21.702 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.770 21.440 0.884 1.00 0.00 H new ATOM 529 N ARG A 37 -7.716 18.528 -2.715 1.00 0.00 N ATOM 530 CA ARG A 37 -7.431 17.167 -3.152 1.00 0.00 C ATOM 531 C ARG A 37 -7.260 16.236 -1.955 1.00 0.00 C ATOM 532 O ARG A 37 -7.002 16.685 -0.838 1.00 0.00 O ATOM 533 CB ARG A 37 -6.169 17.140 -4.016 1.00 0.00 C ATOM 534 CG ARG A 37 -4.908 17.538 -3.266 1.00 0.00 C ATOM 535 CD ARG A 37 -4.231 16.331 -2.635 1.00 0.00 C ATOM 536 NE ARG A 37 -3.260 15.715 -3.536 1.00 0.00 N ATOM 537 CZ ARG A 37 -2.111 16.285 -3.880 1.00 0.00 C ATOM 538 NH1 ARG A 37 -1.791 17.479 -3.401 1.00 0.00 N ATOM 539 NH2 ARG A 37 -1.280 15.661 -4.705 1.00 0.00 N ATOM 0 H ARG A 37 -6.891 19.069 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.277 16.818 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.039 16.137 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.305 17.812 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.216 18.028 -3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.158 18.263 -2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.730 16.635 -1.716 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.986 15.595 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.477 14.796 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.428 17.962 -2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.908 17.915 -3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.523 14.742 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.398 16.100 -4.969 1.00 0.00 H new ATOM 553 N PHE A 38 -7.406 14.937 -2.196 1.00 0.00 N ATOM 554 CA PHE A 38 -7.269 13.943 -1.138 1.00 0.00 C ATOM 555 C PHE A 38 -5.844 13.401 -1.082 1.00 0.00 C ATOM 556 O PHE A 38 -5.170 13.290 -2.107 1.00 0.00 O ATOM 557 CB PHE A 38 -8.256 12.795 -1.357 1.00 0.00 C ATOM 558 CG PHE A 38 -9.588 13.015 -0.698 1.00 0.00 C ATOM 559 CD1 PHE A 38 -9.749 12.790 0.659 1.00 0.00 C ATOM 560 CD2 PHE A 38 -10.678 13.446 -1.437 1.00 0.00 C ATOM 561 CE1 PHE A 38 -10.974 12.991 1.268 1.00 0.00 C ATOM 562 CE2 PHE A 38 -11.905 13.649 -0.834 1.00 0.00 C ATOM 563 CZ PHE A 38 -12.053 13.422 0.521 1.00 0.00 C ATOM 0 H PHE A 38 -7.619 14.548 -3.115 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.492 14.428 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.408 12.656 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.819 11.873 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.908 12.454 1.248 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.568 13.625 -2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.087 12.811 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.747 13.985 -1.421 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.010 13.581 0.995 1.00 0.00 H new ATOM 573 N ILE A 39 -5.392 13.064 0.122 1.00 0.00 N ATOM 574 CA ILE A 39 -4.048 12.533 0.311 1.00 0.00 C ATOM 575 C ILE A 39 -4.034 11.440 1.374 1.00 0.00 C ATOM 576 O ILE A 39 -4.525 11.635 2.487 1.00 0.00 O ATOM 577 CB ILE A 39 -3.057 13.640 0.716 1.00 0.00 C ATOM 578 CG1 ILE A 39 -3.187 14.840 -0.224 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.633 13.105 0.708 1.00 0.00 C ATOM 580 CD1 ILE A 39 -2.472 16.077 0.273 1.00 0.00 C ATOM 0 H ILE A 39 -5.937 13.149 0.980 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.738 12.111 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.295 13.968 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.790 14.569 -1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.243 15.071 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.944 13.899 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.551 12.279 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.382 12.753 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.607 16.888 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.884 16.373 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.409 15.863 0.383 1.00 0.00 H new ATOM 592 N CYS A 40 -3.467 10.290 1.026 1.00 0.00 N ATOM 593 CA CYS A 40 -3.388 9.165 1.950 1.00 0.00 C ATOM 594 C CYS A 40 -1.949 8.678 2.092 1.00 0.00 C ATOM 595 O CYS A 40 -1.125 8.874 1.198 1.00 0.00 O ATOM 596 CB CYS A 40 -4.282 8.021 1.472 1.00 0.00 C ATOM 597 SG CYS A 40 -4.906 6.966 2.801 1.00 0.00 S ATOM 0 H CYS A 40 -3.055 10.113 0.110 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.736 9.503 2.926 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.128 8.439 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.722 7.406 0.768 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.448 7.389 3.942 1.00 0.00 H new ATOM 603 N LYS A 41 -1.653 8.043 3.221 1.00 0.00 N ATOM 604 CA LYS A 41 -0.314 7.528 3.481 1.00 0.00 C ATOM 605 C LYS A 41 -0.376 6.109 4.036 1.00 0.00 C ATOM 606 O LYS A 41 -1.188 5.810 4.913 1.00 0.00 O ATOM 607 CB LYS A 41 0.423 8.440 4.464 1.00 0.00 C ATOM 608 CG LYS A 41 0.239 9.920 4.177 1.00 0.00 C ATOM 609 CD LYS A 41 1.359 10.749 4.782 1.00 0.00 C ATOM 610 CE LYS A 41 1.309 12.190 4.299 1.00 0.00 C ATOM 611 NZ LYS A 41 0.225 12.962 4.968 1.00 0.00 N ATOM 0 H LYS A 41 -2.323 7.873 3.971 1.00 0.00 H new ATOM 0 HA LYS A 41 0.230 7.507 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.073 8.228 5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.487 8.203 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.207 10.081 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.718 10.253 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.284 10.726 5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.321 10.309 4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.268 12.671 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.154 12.206 3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.213 13.610 4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.494 12.306 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.625 13.510 5.756 1.00 0.00 H new ATOM 625 N CYS A 42 0.486 5.239 3.521 1.00 0.00 N ATOM 626 CA CYS A 42 0.529 3.850 3.966 1.00 0.00 C ATOM 627 C CYS A 42 1.726 3.610 4.880 1.00 0.00 C ATOM 628 O CYS A 42 2.876 3.780 4.473 1.00 0.00 O ATOM 629 CB CYS A 42 0.593 2.909 2.763 1.00 0.00 C ATOM 630 SG CYS A 42 1.980 3.230 1.648 1.00 0.00 S ATOM 0 H CYS A 42 1.164 5.471 2.795 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.382 3.646 4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.659 1.882 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.337 2.991 2.201 1.00 0.00 H new ATOM 0 HG CYS A 42 1.721 2.727 0.478 1.00 0.00 H new ATOM 636 N LYS A 43 1.449 3.214 6.118 1.00 0.00 N ATOM 637 CA LYS A 43 2.502 2.950 7.091 1.00 0.00 C ATOM 638 C LYS A 43 2.452 1.502 7.568 1.00 0.00 C ATOM 639 O LYS A 43 1.404 1.015 7.994 1.00 0.00 O ATOM 640 CB LYS A 43 2.370 3.896 8.286 1.00 0.00 C ATOM 641 CG LYS A 43 3.141 5.194 8.123 1.00 0.00 C ATOM 642 CD LYS A 43 3.091 6.036 9.387 1.00 0.00 C ATOM 643 CE LYS A 43 3.860 7.338 9.221 1.00 0.00 C ATOM 644 NZ LYS A 43 3.028 8.395 8.583 1.00 0.00 N ATOM 0 H LYS A 43 0.503 3.069 6.471 1.00 0.00 H new ATOM 0 HA LYS A 43 3.462 3.121 6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.316 4.126 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.720 3.385 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.179 4.973 7.873 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.727 5.762 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.053 6.255 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.508 5.469 10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.203 7.684 10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.749 7.160 8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.587 9.267 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.722 8.075 7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.193 8.583 9.173 1.00 0.00 H new ATOM 658 N ILE A 44 3.589 0.819 7.494 1.00 0.00 N ATOM 659 CA ILE A 44 3.674 -0.572 7.921 1.00 0.00 C ATOM 660 C ILE A 44 4.334 -0.687 9.291 1.00 0.00 C ATOM 661 O ILE A 44 5.554 -0.589 9.414 1.00 0.00 O ATOM 662 CB ILE A 44 4.463 -1.424 6.910 1.00 0.00 C ATOM 663 CG1 ILE A 44 4.179 -0.954 5.482 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.112 -2.895 7.068 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.825 -1.384 4.963 1.00 0.00 C ATOM 0 H ILE A 44 4.465 1.206 7.142 1.00 0.00 H new ATOM 0 HA ILE A 44 2.652 -0.947 7.980 1.00 0.00 H new ATOM 0 HB ILE A 44 5.528 -1.302 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.244 0.133 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.953 -1.342 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.678 -3.484 6.346 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.361 -3.222 8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.045 -3.035 6.894 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.692 -1.016 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.763 -2.472 4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.043 -0.974 5.602 1.00 0.00 H new ATOM 677 N GLY A 45 3.518 -0.899 10.319 1.00 0.00 N ATOM 678 CA GLY A 45 4.041 -1.027 11.667 1.00 0.00 C ATOM 679 C GLY A 45 4.717 0.241 12.149 1.00 0.00 C ATOM 680 O GLY A 45 5.837 0.200 12.657 1.00 0.00 O ATOM 0 H GLY A 45 2.504 -0.984 10.243 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.228 -1.282 12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.754 -1.851 11.700 1.00 0.00 H new ATOM 684 N GLN A 46 4.036 1.371 11.988 1.00 0.00 N ATOM 685 CA GLN A 46 4.580 2.657 12.409 1.00 0.00 C ATOM 686 C GLN A 46 5.798 3.033 11.571 1.00 0.00 C ATOM 687 O GLN A 46 6.660 3.793 12.015 1.00 0.00 O ATOM 688 CB GLN A 46 4.959 2.614 13.890 1.00 0.00 C ATOM 689 CG GLN A 46 3.833 2.138 14.793 1.00 0.00 C ATOM 690 CD GLN A 46 2.711 3.151 14.910 1.00 0.00 C ATOM 691 OE1 GLN A 46 1.805 3.190 14.076 1.00 0.00 O ATOM 692 NE2 GLN A 46 2.765 3.978 15.947 1.00 0.00 N ATOM 0 H GLN A 46 3.107 1.422 11.569 1.00 0.00 H new ATOM 0 HA GLN A 46 3.811 3.415 12.260 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.818 1.956 14.017 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.270 3.610 14.206 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.433 1.201 14.405 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.232 1.928 15.785 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.534 3.910 16.614 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.038 4.681 16.077 1.00 0.00 H new ATOM 701 N THR A 47 5.863 2.497 10.356 1.00 0.00 N ATOM 702 CA THR A 47 6.975 2.775 9.457 1.00 0.00 C ATOM 703 C THR A 47 6.480 3.323 8.123 1.00 0.00 C ATOM 704 O THR A 47 5.620 2.725 7.477 1.00 0.00 O ATOM 705 CB THR A 47 7.819 1.512 9.199 1.00 0.00 C ATOM 706 OG1 THR A 47 8.243 0.944 10.443 1.00 0.00 O ATOM 707 CG2 THR A 47 9.034 1.838 8.344 1.00 0.00 C ATOM 0 H THR A 47 5.158 1.868 9.972 1.00 0.00 H new ATOM 0 HA THR A 47 7.597 3.525 9.946 1.00 0.00 H new ATOM 0 HB THR A 47 7.201 0.792 8.663 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.777 0.141 10.271 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.614 0.931 8.175 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.707 2.243 7.386 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.653 2.574 8.857 1.00 0.00 H new ATOM 715 N MET A 48 7.029 4.463 7.716 1.00 0.00 N ATOM 716 CA MET A 48 6.644 5.089 6.457 1.00 0.00 C ATOM 717 C MET A 48 7.149 4.277 5.268 1.00 0.00 C ATOM 718 O MET A 48 8.355 4.112 5.085 1.00 0.00 O ATOM 719 CB MET A 48 7.191 6.516 6.384 1.00 0.00 C ATOM 720 CG MET A 48 6.594 7.339 5.254 1.00 0.00 C ATOM 721 SD MET A 48 7.593 8.783 4.843 1.00 0.00 S ATOM 722 CE MET A 48 6.712 9.409 3.416 1.00 0.00 C ATOM 0 H MET A 48 7.741 4.972 8.240 1.00 0.00 H new ATOM 0 HA MET A 48 5.555 5.122 6.415 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.997 7.020 7.331 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.273 6.476 6.260 1.00 0.00 H new ATOM 0 HG2 MET A 48 6.488 6.711 4.369 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.592 7.663 5.536 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.293 10.205 2.950 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.561 8.602 2.699 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.745 9.802 3.729 1.00 0.00 H new ATOM 732 N TYR A 49 6.219 3.773 4.464 1.00 0.00 N ATOM 733 CA TYR A 49 6.571 2.977 3.295 1.00 0.00 C ATOM 734 C TYR A 49 6.207 3.709 2.007 1.00 0.00 C ATOM 735 O TYR A 49 7.061 3.951 1.155 1.00 0.00 O ATOM 736 CB TYR A 49 5.861 1.622 3.343 1.00 0.00 C ATOM 737 CG TYR A 49 6.655 0.548 4.051 1.00 0.00 C ATOM 738 CD1 TYR A 49 7.080 0.722 5.363 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.979 -0.641 3.410 1.00 0.00 C ATOM 740 CE1 TYR A 49 7.805 -0.257 6.014 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.703 -1.626 4.053 1.00 0.00 C ATOM 742 CZ TYR A 49 8.114 -1.429 5.355 1.00 0.00 C ATOM 743 OH TYR A 49 8.836 -2.407 6.000 1.00 0.00 O ATOM 0 H TYR A 49 5.216 3.902 4.601 1.00 0.00 H new ATOM 0 HA TYR A 49 7.649 2.816 3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.900 1.742 3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.651 1.295 2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.839 1.638 5.882 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.659 -0.798 2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.128 -0.106 7.033 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.946 -2.545 3.540 1.00 0.00 H new ATOM 0 HH TYR A 49 9.435 -1.993 6.655 1.00 0.00 H new ATOM 753 N GLY A 50 4.932 4.060 1.873 1.00 0.00 N ATOM 754 CA GLY A 50 4.476 4.762 0.688 1.00 0.00 C ATOM 755 C GLY A 50 3.441 5.823 1.004 1.00 0.00 C ATOM 756 O GLY A 50 2.878 5.846 2.099 1.00 0.00 O ATOM 0 H GLY A 50 4.206 3.871 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.329 5.227 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.053 4.045 -0.015 1.00 0.00 H new ATOM 760 N THR A 51 3.190 6.708 0.044 1.00 0.00 N ATOM 761 CA THR A 51 2.219 7.779 0.227 1.00 0.00 C ATOM 762 C THR A 51 1.457 8.057 -1.064 1.00 0.00 C ATOM 763 O THR A 51 2.054 8.371 -2.093 1.00 0.00 O ATOM 764 CB THR A 51 2.898 9.079 0.699 1.00 0.00 C ATOM 765 OG1 THR A 51 3.458 8.893 2.004 1.00 0.00 O ATOM 766 CG2 THR A 51 1.903 10.229 0.727 1.00 0.00 C ATOM 0 H THR A 51 3.646 6.704 -0.868 1.00 0.00 H new ATOM 0 HA THR A 51 1.520 7.444 0.993 1.00 0.00 H new ATOM 0 HB THR A 51 3.693 9.325 -0.005 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.889 9.723 2.296 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.405 11.136 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.501 10.386 -0.274 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.089 9.990 1.412 1.00 0.00 H new ATOM 774 N GLY A 52 0.134 7.940 -1.003 1.00 0.00 N ATOM 775 CA GLY A 52 -0.687 8.182 -2.174 1.00 0.00 C ATOM 776 C GLY A 52 -1.354 9.543 -2.143 1.00 0.00 C ATOM 777 O GLY A 52 -1.590 10.102 -1.072 1.00 0.00 O ATOM 0 H GLY A 52 -0.384 7.682 -0.163 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.070 8.103 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.451 7.408 -2.245 1.00 0.00 H new ATOM 781 N SER A 53 -1.658 10.079 -3.321 1.00 0.00 N ATOM 782 CA SER A 53 -2.296 11.386 -3.424 1.00 0.00 C ATOM 783 C SER A 53 -3.132 11.483 -4.697 1.00 0.00 C ATOM 784 O SER A 53 -2.663 11.160 -5.787 1.00 0.00 O ATOM 785 CB SER A 53 -1.243 12.495 -3.407 1.00 0.00 C ATOM 786 OG SER A 53 -0.414 12.429 -4.554 1.00 0.00 O ATOM 0 H SER A 53 -1.473 9.628 -4.217 1.00 0.00 H new ATOM 0 HA SER A 53 -2.956 11.509 -2.565 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.735 13.467 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.633 12.408 -2.508 1.00 0.00 H new ATOM 0 HG SER A 53 0.249 13.149 -4.520 1.00 0.00 H new ATOM 792 N GLY A 54 -4.375 11.930 -4.549 1.00 0.00 N ATOM 793 CA GLY A 54 -5.258 12.062 -5.693 1.00 0.00 C ATOM 794 C GLY A 54 -6.473 12.917 -5.393 1.00 0.00 C ATOM 795 O GLY A 54 -6.524 13.599 -4.369 1.00 0.00 O ATOM 0 H GLY A 54 -4.787 12.203 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.706 12.500 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.584 11.072 -6.012 1.00 0.00 H new ATOM 799 N VAL A 55 -7.454 12.883 -6.289 1.00 0.00 N ATOM 800 CA VAL A 55 -8.675 13.661 -6.115 1.00 0.00 C ATOM 801 C VAL A 55 -9.722 12.875 -5.335 1.00 0.00 C ATOM 802 O VAL A 55 -10.721 13.432 -4.878 1.00 0.00 O ATOM 803 CB VAL A 55 -9.271 14.081 -7.472 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.259 14.887 -8.273 1.00 0.00 C ATOM 805 CG2 VAL A 55 -9.730 12.859 -8.253 1.00 0.00 C ATOM 0 H VAL A 55 -7.427 12.325 -7.143 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.403 14.554 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.140 14.713 -7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.698 15.175 -9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.984 15.782 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.370 14.282 -8.450 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.148 13.174 -9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.880 12.199 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.491 12.327 -7.682 1.00 0.00 H new ATOM 815 N THR A 56 -9.487 11.575 -5.184 1.00 0.00 N ATOM 816 CA THR A 56 -10.410 10.711 -4.459 1.00 0.00 C ATOM 817 C THR A 56 -9.664 9.803 -3.488 1.00 0.00 C ATOM 818 O THR A 56 -8.585 9.298 -3.797 1.00 0.00 O ATOM 819 CB THR A 56 -11.240 9.842 -5.422 1.00 0.00 C ATOM 820 OG1 THR A 56 -11.503 10.564 -6.631 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.554 9.424 -4.779 1.00 0.00 C ATOM 0 H THR A 56 -8.665 11.098 -5.554 1.00 0.00 H new ATOM 0 HA THR A 56 -11.081 11.363 -3.900 1.00 0.00 H new ATOM 0 HB THR A 56 -10.665 8.945 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.030 10.004 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.123 8.811 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.350 8.849 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.132 10.312 -4.522 1.00 0.00 H new ATOM 829 N LYS A 57 -10.247 9.598 -2.311 1.00 0.00 N ATOM 830 CA LYS A 57 -9.639 8.748 -1.294 1.00 0.00 C ATOM 831 C LYS A 57 -9.167 7.429 -1.897 1.00 0.00 C ATOM 832 O LYS A 57 -7.994 7.072 -1.789 1.00 0.00 O ATOM 833 CB LYS A 57 -10.636 8.477 -0.165 1.00 0.00 C ATOM 834 CG LYS A 57 -10.582 9.504 0.954 1.00 0.00 C ATOM 835 CD LYS A 57 -9.345 9.323 1.817 1.00 0.00 C ATOM 836 CE LYS A 57 -9.473 8.111 2.728 1.00 0.00 C ATOM 837 NZ LYS A 57 -8.143 7.553 3.098 1.00 0.00 N ATOM 0 H LYS A 57 -11.140 10.009 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.773 9.272 -0.889 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.644 8.456 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.441 7.488 0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.586 10.508 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.475 9.416 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.469 9.209 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.186 10.217 2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.013 8.392 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.063 7.342 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.164 6.517 3.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.415 7.941 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.920 7.810 4.081 1.00 0.00 H new ATOM 851 N GLN A 58 -10.088 6.711 -2.532 1.00 0.00 N ATOM 852 CA GLN A 58 -9.764 5.432 -3.153 1.00 0.00 C ATOM 853 C GLN A 58 -8.552 5.563 -4.070 1.00 0.00 C ATOM 854 O GLN A 58 -7.646 4.732 -4.037 1.00 0.00 O ATOM 855 CB GLN A 58 -10.963 4.908 -3.945 1.00 0.00 C ATOM 856 CG GLN A 58 -11.033 3.391 -4.010 1.00 0.00 C ATOM 857 CD GLN A 58 -11.456 2.770 -2.693 1.00 0.00 C ATOM 858 OE1 GLN A 58 -11.817 3.473 -1.749 1.00 0.00 O ATOM 859 NE2 GLN A 58 -11.413 1.444 -2.623 1.00 0.00 N ATOM 0 H GLN A 58 -11.063 6.993 -2.630 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.522 4.723 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.880 5.287 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.920 5.305 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.736 3.096 -4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.057 2.998 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.107 0.900 -3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -11.686 0.970 -1.762 1.00 0.00 H new ATOM 868 N GLU A 59 -8.545 6.612 -4.887 1.00 0.00 N ATOM 869 CA GLU A 59 -7.444 6.851 -5.813 1.00 0.00 C ATOM 870 C GLU A 59 -6.116 6.944 -5.067 1.00 0.00 C ATOM 871 O GLU A 59 -5.140 6.288 -5.431 1.00 0.00 O ATOM 872 CB GLU A 59 -7.686 8.135 -6.608 1.00 0.00 C ATOM 873 CG GLU A 59 -6.838 8.242 -7.865 1.00 0.00 C ATOM 874 CD GLU A 59 -7.238 7.235 -8.925 1.00 0.00 C ATOM 875 OE1 GLU A 59 -6.757 6.084 -8.860 1.00 0.00 O ATOM 876 OE2 GLU A 59 -8.030 7.597 -9.820 1.00 0.00 O ATOM 0 H GLU A 59 -9.289 7.309 -4.926 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.395 6.009 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.739 8.188 -6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.481 8.993 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.926 9.249 -8.274 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.790 8.094 -7.605 1.00 0.00 H new ATOM 883 N ALA A 60 -6.087 7.764 -4.022 1.00 0.00 N ATOM 884 CA ALA A 60 -4.881 7.943 -3.224 1.00 0.00 C ATOM 885 C ALA A 60 -4.574 6.693 -2.405 1.00 0.00 C ATOM 886 O ALA A 60 -3.593 5.994 -2.663 1.00 0.00 O ATOM 887 CB ALA A 60 -5.025 9.151 -2.312 1.00 0.00 C ATOM 0 H ALA A 60 -6.886 8.315 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.047 8.114 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.116 9.272 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.188 10.044 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.874 9.004 -1.644 1.00 0.00 H new ATOM 893 N LYS A 61 -5.418 6.417 -1.417 1.00 0.00 N ATOM 894 CA LYS A 61 -5.238 5.252 -0.560 1.00 0.00 C ATOM 895 C LYS A 61 -4.665 4.079 -1.349 1.00 0.00 C ATOM 896 O LYS A 61 -3.740 3.407 -0.894 1.00 0.00 O ATOM 897 CB LYS A 61 -6.571 4.850 0.076 1.00 0.00 C ATOM 898 CG LYS A 61 -6.424 3.880 1.235 1.00 0.00 C ATOM 899 CD LYS A 61 -7.728 3.154 1.523 1.00 0.00 C ATOM 900 CE LYS A 61 -8.078 2.176 0.412 1.00 0.00 C ATOM 901 NZ LYS A 61 -9.130 1.210 0.834 1.00 0.00 N ATOM 0 H LYS A 61 -6.234 6.985 -1.190 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.532 5.517 0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.082 5.747 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.206 4.399 -0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.645 3.153 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.103 4.421 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.646 2.618 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.533 3.880 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.422 2.728 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.183 1.630 0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.340 0.561 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.793 0.665 1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.993 1.729 1.095 1.00 0.00 H new ATOM 915 N GLN A 62 -5.220 3.841 -2.533 1.00 0.00 N ATOM 916 CA GLN A 62 -4.762 2.750 -3.385 1.00 0.00 C ATOM 917 C GLN A 62 -3.298 2.937 -3.771 1.00 0.00 C ATOM 918 O GLN A 62 -2.420 2.229 -3.277 1.00 0.00 O ATOM 919 CB GLN A 62 -5.626 2.661 -4.644 1.00 0.00 C ATOM 920 CG GLN A 62 -6.923 1.894 -4.439 1.00 0.00 C ATOM 921 CD GLN A 62 -7.657 1.632 -5.739 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.799 2.056 -5.917 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.003 0.929 -6.657 1.00 0.00 N ATOM 0 H GLN A 62 -5.987 4.388 -2.924 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.854 1.821 -2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.860 3.669 -4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.051 2.181 -5.436 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.706 0.944 -3.951 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.571 2.457 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.057 0.597 -6.467 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.446 0.721 -7.552 1.00 0.00 H new ATOM 932 N LEU A 63 -3.043 3.894 -4.656 1.00 0.00 N ATOM 933 CA LEU A 63 -1.685 4.175 -5.109 1.00 0.00 C ATOM 934 C LEU A 63 -0.687 4.019 -3.966 1.00 0.00 C ATOM 935 O LEU A 63 0.344 3.362 -4.114 1.00 0.00 O ATOM 936 CB LEU A 63 -1.601 5.590 -5.685 1.00 0.00 C ATOM 937 CG LEU A 63 -2.522 5.889 -6.868 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.918 7.357 -6.878 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.848 5.507 -8.178 1.00 0.00 C ATOM 0 H LEU A 63 -3.759 4.489 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.432 3.456 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.825 6.299 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.572 5.774 -5.996 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.427 5.291 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.574 7.551 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.441 7.599 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.024 7.975 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.518 5.727 -9.009 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.927 6.078 -8.293 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.616 4.442 -8.171 1.00 0.00 H new ATOM 951 N ALA A 64 -1.001 4.625 -2.826 1.00 0.00 N ATOM 952 CA ALA A 64 -0.134 4.549 -1.656 1.00 0.00 C ATOM 953 C ALA A 64 0.505 3.169 -1.535 1.00 0.00 C ATOM 954 O ALA A 64 1.701 3.049 -1.272 1.00 0.00 O ATOM 955 CB ALA A 64 -0.917 4.883 -0.396 1.00 0.00 C ATOM 0 H ALA A 64 -1.849 5.174 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 64 0.665 5.281 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.257 4.822 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.320 5.893 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.736 4.174 -0.278 1.00 0.00 H new ATOM 961 N ALA A 65 -0.302 2.130 -1.726 1.00 0.00 N ATOM 962 CA ALA A 65 0.185 0.759 -1.639 1.00 0.00 C ATOM 963 C ALA A 65 1.185 0.460 -2.750 1.00 0.00 C ATOM 964 O ALA A 65 2.255 -0.096 -2.504 1.00 0.00 O ATOM 965 CB ALA A 65 -0.979 -0.219 -1.697 1.00 0.00 C ATOM 0 H ALA A 65 -1.296 2.212 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 65 0.697 0.642 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.601 -1.239 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.656 -0.028 -0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.515 -0.091 -2.637 1.00 0.00 H new ATOM 971 N LYS A 66 0.830 0.832 -3.975 1.00 0.00 N ATOM 972 CA LYS A 66 1.696 0.605 -5.126 1.00 0.00 C ATOM 973 C LYS A 66 3.165 0.740 -4.736 1.00 0.00 C ATOM 974 O LYS A 66 3.956 -0.182 -4.935 1.00 0.00 O ATOM 975 CB LYS A 66 1.362 1.592 -6.246 1.00 0.00 C ATOM 976 CG LYS A 66 2.065 1.287 -7.557 1.00 0.00 C ATOM 977 CD LYS A 66 1.345 1.917 -8.736 1.00 0.00 C ATOM 978 CE LYS A 66 2.185 1.852 -10.003 1.00 0.00 C ATOM 979 NZ LYS A 66 1.641 2.730 -11.075 1.00 0.00 N ATOM 0 H LYS A 66 -0.053 1.293 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 66 1.524 -0.410 -5.483 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.285 1.589 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.632 2.598 -5.924 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.090 1.656 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.121 0.208 -7.698 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.397 1.405 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.110 2.956 -8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.209 2.149 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.223 0.823 -10.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.241 2.657 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.673 2.431 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.628 3.716 -10.743 1.00 0.00 H new ATOM 993 N GLU A 67 3.521 1.893 -4.180 1.00 0.00 N ATOM 994 CA GLU A 67 4.895 2.147 -3.762 1.00 0.00 C ATOM 995 C GLU A 67 5.286 1.241 -2.598 1.00 0.00 C ATOM 996 O GLU A 67 6.386 0.690 -2.569 1.00 0.00 O ATOM 997 CB GLU A 67 5.067 3.614 -3.362 1.00 0.00 C ATOM 998 CG GLU A 67 4.799 4.590 -4.495 1.00 0.00 C ATOM 999 CD GLU A 67 5.845 4.513 -5.591 1.00 0.00 C ATOM 1000 OE1 GLU A 67 5.718 3.636 -6.471 1.00 0.00 O ATOM 1001 OE2 GLU A 67 6.790 5.328 -5.568 1.00 0.00 O ATOM 0 H GLU A 67 2.878 2.666 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 67 5.551 1.929 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.394 3.837 -2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.083 3.765 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.816 4.386 -4.921 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.769 5.604 -4.097 1.00 0.00 H new ATOM 1008 N ALA A 68 4.377 1.093 -1.640 1.00 0.00 N ATOM 1009 CA ALA A 68 4.625 0.254 -0.474 1.00 0.00 C ATOM 1010 C ALA A 68 5.067 -1.145 -0.889 1.00 0.00 C ATOM 1011 O ALA A 68 6.168 -1.583 -0.556 1.00 0.00 O ATOM 1012 CB ALA A 68 3.380 0.180 0.397 1.00 0.00 C ATOM 0 H ALA A 68 3.462 1.543 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 68 5.432 0.705 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.579 -0.450 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.109 1.182 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.558 -0.245 -0.179 1.00 0.00 H new ATOM 1018 N TYR A 69 4.201 -1.842 -1.617 1.00 0.00 N ATOM 1019 CA TYR A 69 4.502 -3.193 -2.075 1.00 0.00 C ATOM 1020 C TYR A 69 5.926 -3.282 -2.613 1.00 0.00 C ATOM 1021 O TYR A 69 6.701 -4.149 -2.208 1.00 0.00 O ATOM 1022 CB TYR A 69 3.508 -3.620 -3.157 1.00 0.00 C ATOM 1023 CG TYR A 69 3.837 -4.953 -3.789 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.691 -6.138 -3.077 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.296 -5.029 -5.098 1.00 0.00 C ATOM 1026 CE1 TYR A 69 3.991 -7.358 -3.651 1.00 0.00 C ATOM 1027 CE2 TYR A 69 4.598 -6.245 -5.681 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.444 -7.407 -4.953 1.00 0.00 C ATOM 1029 OH TYR A 69 4.744 -8.620 -5.528 1.00 0.00 O ATOM 0 H TYR A 69 3.286 -1.494 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 69 4.413 -3.866 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.510 -3.670 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.479 -2.856 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.337 -6.104 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.419 -4.121 -5.670 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.872 -8.269 -3.083 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.952 -6.286 -6.700 1.00 0.00 H new ATOM 0 HH TYR A 69 5.049 -8.479 -6.449 1.00 0.00 H new ATOM 1039 N GLN A 70 6.264 -2.379 -3.528 1.00 0.00 N ATOM 1040 CA GLN A 70 7.595 -2.355 -4.122 1.00 0.00 C ATOM 1041 C GLN A 70 8.673 -2.397 -3.045 1.00 0.00 C ATOM 1042 O GLN A 70 9.594 -3.213 -3.103 1.00 0.00 O ATOM 1043 CB GLN A 70 7.768 -1.104 -4.986 1.00 0.00 C ATOM 1044 CG GLN A 70 7.069 -1.193 -6.333 1.00 0.00 C ATOM 1045 CD GLN A 70 7.918 -1.877 -7.387 1.00 0.00 C ATOM 1046 OE1 GLN A 70 8.576 -1.219 -8.193 1.00 0.00 O ATOM 1047 NE2 GLN A 70 7.906 -3.205 -7.386 1.00 0.00 N ATOM 0 H GLN A 70 5.635 -1.655 -3.874 1.00 0.00 H new ATOM 0 HA GLN A 70 7.701 -3.239 -4.750 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.383 -0.241 -4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.832 -0.929 -5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.132 -1.738 -6.217 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.814 -0.189 -6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.346 -3.709 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.457 -3.721 -8.072 1.00 0.00 H new ATOM 1056 N LYS A 71 8.554 -1.512 -2.061 1.00 0.00 N ATOM 1057 CA LYS A 71 9.517 -1.448 -0.968 1.00 0.00 C ATOM 1058 C LYS A 71 9.740 -2.828 -0.357 1.00 0.00 C ATOM 1059 O LYS A 71 10.876 -3.291 -0.244 1.00 0.00 O ATOM 1060 CB LYS A 71 9.033 -0.474 0.109 1.00 0.00 C ATOM 1061 CG LYS A 71 9.417 0.971 -0.162 1.00 0.00 C ATOM 1062 CD LYS A 71 9.272 1.829 1.084 1.00 0.00 C ATOM 1063 CE LYS A 71 10.074 3.116 0.971 1.00 0.00 C ATOM 1064 NZ LYS A 71 9.776 4.055 2.088 1.00 0.00 N ATOM 0 H LYS A 71 7.799 -0.829 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 71 10.464 -1.092 -1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.948 -0.544 0.190 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.444 -0.776 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.447 1.014 -0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.788 1.373 -0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.220 2.067 1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.606 1.266 1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.138 2.882 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.851 3.600 0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.342 4.920 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.765 4.299 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.012 3.603 2.994 1.00 0.00 H new ATOM 1078 N LEU A 72 8.651 -3.480 0.034 1.00 0.00 N ATOM 1079 CA LEU A 72 8.727 -4.808 0.632 1.00 0.00 C ATOM 1080 C LEU A 72 9.638 -5.721 -0.184 1.00 0.00 C ATOM 1081 O LEU A 72 10.481 -6.428 0.369 1.00 0.00 O ATOM 1082 CB LEU A 72 7.331 -5.423 0.737 1.00 0.00 C ATOM 1083 CG LEU A 72 6.471 -4.940 1.905 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.013 -5.317 1.686 1.00 0.00 C ATOM 1085 CD2 LEU A 72 6.981 -5.518 3.217 1.00 0.00 C ATOM 0 H LEU A 72 7.704 -3.110 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 72 9.147 -4.705 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.796 -5.220 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.437 -6.505 0.813 1.00 0.00 H new ATOM 0 HG LEU A 72 6.541 -3.853 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.416 -4.965 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.652 -4.856 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.925 -6.401 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.357 -5.164 4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.941 -6.606 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.010 -5.198 3.380 1.00 0.00 H new ATOM 1097 N LEU A 73 9.463 -5.698 -1.500 1.00 0.00 N ATOM 1098 CA LEU A 73 10.270 -6.522 -2.393 1.00 0.00 C ATOM 1099 C LEU A 73 11.731 -6.084 -2.366 1.00 0.00 C ATOM 1100 O LEU A 73 12.640 -6.913 -2.403 1.00 0.00 O ATOM 1101 CB LEU A 73 9.729 -6.442 -3.822 1.00 0.00 C ATOM 1102 CG LEU A 73 8.215 -6.597 -3.975 1.00 0.00 C ATOM 1103 CD1 LEU A 73 7.836 -6.703 -5.444 1.00 0.00 C ATOM 1104 CD2 LEU A 73 7.723 -7.815 -3.206 1.00 0.00 C ATOM 0 H LEU A 73 8.770 -5.118 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 73 10.212 -7.554 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.021 -5.481 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.215 -7.215 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 73 7.734 -5.711 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.755 -6.813 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.154 -5.802 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.327 -7.571 -5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.644 -7.910 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.211 -8.710 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.962 -7.699 -2.149 1.00 0.00 H new ATOM 1116 N LYS A 74 11.950 -4.775 -2.300 1.00 0.00 N ATOM 1117 CA LYS A 74 13.300 -4.225 -2.264 1.00 0.00 C ATOM 1118 C LYS A 74 13.873 -4.283 -0.851 1.00 0.00 C ATOM 1119 O LYS A 74 14.733 -5.112 -0.553 1.00 0.00 O ATOM 1120 CB LYS A 74 13.298 -2.780 -2.766 1.00 0.00 C ATOM 1121 CG LYS A 74 13.115 -2.659 -4.269 1.00 0.00 C ATOM 1122 CD LYS A 74 14.414 -2.922 -5.012 1.00 0.00 C ATOM 1123 CE LYS A 74 14.190 -3.009 -6.514 1.00 0.00 C ATOM 1124 NZ LYS A 74 13.704 -1.719 -7.078 1.00 0.00 N ATOM 0 H LYS A 74 11.209 -4.075 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 74 13.929 -4.829 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.500 -2.231 -2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 74 14.237 -2.305 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.355 -3.366 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.751 -1.661 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.126 -2.126 -4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.857 -3.852 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.122 -3.292 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.466 -3.795 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.628 -1.799 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.770 -1.495 -6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.374 -0.961 -6.838 1.00 0.00 H new ATOM 1138 N SER A 75 13.391 -3.397 0.015 1.00 0.00 N ATOM 1139 CA SER A 75 13.858 -3.346 1.395 1.00 0.00 C ATOM 1140 C SER A 75 12.703 -3.564 2.368 1.00 0.00 C ATOM 1141 O SER A 75 12.082 -2.620 2.856 1.00 0.00 O ATOM 1142 CB SER A 75 14.531 -2.001 1.679 1.00 0.00 C ATOM 1143 OG SER A 75 15.777 -1.904 1.011 1.00 0.00 O ATOM 0 H SER A 75 12.678 -2.705 -0.215 1.00 0.00 H new ATOM 0 HA SER A 75 14.585 -4.146 1.536 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.878 -1.189 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.680 -1.885 2.752 1.00 0.00 H new ATOM 0 HG SER A 75 16.186 -1.035 1.207 1.00 0.00 H new ATOM 1149 N PRO A 76 12.407 -4.840 2.656 1.00 0.00 N ATOM 1150 CA PRO A 76 11.325 -5.213 3.573 1.00 0.00 C ATOM 1151 C PRO A 76 11.643 -4.857 5.021 1.00 0.00 C ATOM 1152 O PRO A 76 12.768 -4.490 5.362 1.00 0.00 O ATOM 1153 CB PRO A 76 11.227 -6.732 3.405 1.00 0.00 C ATOM 1154 CG PRO A 76 12.581 -7.151 2.947 1.00 0.00 C ATOM 1155 CD PRO A 76 13.105 -6.016 2.111 1.00 0.00 C ATOM 0 HA PRO A 76 10.399 -4.684 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.959 -7.217 4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.462 -7.001 2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.237 -7.346 3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.529 -8.072 2.366 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.187 -5.918 2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.884 -6.160 1.054 1.00 0.00 H new ATOM 1163 N PRO A 77 10.631 -4.967 5.894 1.00 0.00 N ATOM 1164 CA PRO A 77 10.779 -4.661 7.320 1.00 0.00 C ATOM 1165 C PRO A 77 11.646 -5.686 8.045 1.00 0.00 C ATOM 1166 O PRO A 77 12.210 -5.400 9.102 1.00 0.00 O ATOM 1167 CB PRO A 77 9.342 -4.709 7.844 1.00 0.00 C ATOM 1168 CG PRO A 77 8.624 -5.611 6.901 1.00 0.00 C ATOM 1169 CD PRO A 77 9.264 -5.398 5.557 1.00 0.00 C ATOM 0 HA PRO A 77 11.274 -3.704 7.483 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.305 -5.092 8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.893 -3.716 7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.710 -6.652 7.214 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.560 -5.375 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.266 -6.312 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.736 -4.642 4.976 1.00 0.00 H new ATOM 1177 N LYS A 78 11.748 -6.879 7.471 1.00 0.00 N ATOM 1178 CA LYS A 78 12.547 -7.947 8.061 1.00 0.00 C ATOM 1179 C LYS A 78 14.023 -7.774 7.720 1.00 0.00 C ATOM 1180 O LYS A 78 14.467 -8.142 6.632 1.00 0.00 O ATOM 1181 CB LYS A 78 12.055 -9.311 7.571 1.00 0.00 C ATOM 1182 CG LYS A 78 10.832 -9.820 8.313 1.00 0.00 C ATOM 1183 CD LYS A 78 10.221 -11.026 7.621 1.00 0.00 C ATOM 1184 CE LYS A 78 9.009 -11.548 8.376 1.00 0.00 C ATOM 1185 NZ LYS A 78 9.397 -12.244 9.635 1.00 0.00 N ATOM 0 H LYS A 78 11.287 -7.132 6.597 1.00 0.00 H new ATOM 0 HA LYS A 78 12.434 -7.895 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.822 -9.243 6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.861 -10.037 7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.109 -10.087 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.090 -9.024 8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.930 -10.755 6.606 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.967 -11.816 7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.342 -10.718 8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.452 -12.234 7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.552 -12.658 10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.080 -12.998 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.831 -11.562 10.289 1.00 0.00 H new ATOM 1199 N THR A 79 14.781 -7.212 8.657 1.00 0.00 N ATOM 1200 CA THR A 79 16.207 -6.991 8.455 1.00 0.00 C ATOM 1201 C THR A 79 16.877 -8.225 7.862 1.00 0.00 C ATOM 1202 O THR A 79 16.620 -9.349 8.291 1.00 0.00 O ATOM 1203 CB THR A 79 16.911 -6.624 9.776 1.00 0.00 C ATOM 1204 OG1 THR A 79 18.312 -6.439 9.549 1.00 0.00 O ATOM 1205 CG2 THR A 79 16.700 -7.709 10.821 1.00 0.00 C ATOM 0 H THR A 79 14.430 -6.902 9.563 1.00 0.00 H new ATOM 0 HA THR A 79 16.302 -6.159 7.757 1.00 0.00 H new ATOM 0 HB THR A 79 16.478 -5.695 10.147 1.00 0.00 H new ATOM 0 HG1 THR A 79 18.752 -6.204 10.393 1.00 0.00 H new ATOM 0 HG21 THR A 79 17.206 -7.428 11.745 1.00 0.00 H new ATOM 0 HG22 THR A 79 15.634 -7.827 11.013 1.00 0.00 H new ATOM 0 HG23 THR A 79 17.109 -8.651 10.455 1.00 0.00 H new ATOM 1213 N ALA A 80 17.736 -8.007 6.872 1.00 0.00 N ATOM 1214 CA ALA A 80 18.445 -9.102 6.221 1.00 0.00 C ATOM 1215 C ALA A 80 19.485 -8.576 5.237 1.00 0.00 C ATOM 1216 O ALA A 80 19.253 -7.585 4.546 1.00 0.00 O ATOM 1217 CB ALA A 80 17.460 -10.019 5.510 1.00 0.00 C ATOM 0 H ALA A 80 17.958 -7.082 6.503 1.00 0.00 H new ATOM 0 HA ALA A 80 18.967 -9.672 6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.003 -10.832 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.758 -10.431 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 80 16.913 -9.452 4.757 1.00 0.00 H new ATOM 1223 N GLY A 81 20.632 -9.245 5.181 1.00 0.00 N ATOM 1224 CA GLY A 81 21.690 -8.829 4.280 1.00 0.00 C ATOM 1225 C GLY A 81 21.963 -7.340 4.355 1.00 0.00 C ATOM 1226 O GLY A 81 21.440 -6.648 5.228 1.00 0.00 O ATOM 0 H GLY A 81 20.847 -10.068 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 81 22.602 -9.375 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 81 21.418 -9.094 3.258 1.00 0.00 H new ATOM 1230 N THR A 82 22.787 -6.844 3.436 1.00 0.00 N ATOM 1231 CA THR A 82 23.131 -5.428 3.403 1.00 0.00 C ATOM 1232 C THR A 82 21.894 -4.557 3.593 1.00 0.00 C ATOM 1233 O THR A 82 20.820 -4.867 3.077 1.00 0.00 O ATOM 1234 CB THR A 82 23.815 -5.047 2.077 1.00 0.00 C ATOM 1235 OG1 THR A 82 23.960 -3.625 1.991 1.00 0.00 O ATOM 1236 CG2 THR A 82 23.010 -5.552 0.888 1.00 0.00 C ATOM 0 H THR A 82 23.228 -7.402 2.705 1.00 0.00 H new ATOM 0 HA THR A 82 23.825 -5.252 4.225 1.00 0.00 H new ATOM 0 HB THR A 82 24.799 -5.514 2.055 1.00 0.00 H new ATOM 0 HG1 THR A 82 24.397 -3.391 1.146 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.513 -5.271 -0.037 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.926 -6.638 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 82 22.014 -5.110 0.909 1.00 0.00 H new ATOM 1244 N SER A 83 22.053 -3.466 4.335 1.00 0.00 N ATOM 1245 CA SER A 83 20.947 -2.551 4.595 1.00 0.00 C ATOM 1246 C SER A 83 20.855 -1.487 3.505 1.00 0.00 C ATOM 1247 O SER A 83 21.859 -0.892 3.117 1.00 0.00 O ATOM 1248 CB SER A 83 21.119 -1.885 5.961 1.00 0.00 C ATOM 1249 OG SER A 83 22.389 -1.266 6.071 1.00 0.00 O ATOM 0 H SER A 83 22.936 -3.194 4.767 1.00 0.00 H new ATOM 0 HA SER A 83 20.022 -3.128 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.335 -1.142 6.108 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.004 -2.629 6.749 1.00 0.00 H new ATOM 0 HG SER A 83 22.473 -0.846 6.953 1.00 0.00 H new ATOM 1255 N GLY A 84 19.641 -1.253 3.016 1.00 0.00 N ATOM 1256 CA GLY A 84 19.439 -0.261 1.977 1.00 0.00 C ATOM 1257 C GLY A 84 18.727 0.977 2.486 1.00 0.00 C ATOM 1258 O GLY A 84 17.874 0.908 3.372 1.00 0.00 O ATOM 0 H GLY A 84 18.794 -1.733 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.404 0.025 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 84 18.859 -0.702 1.166 1.00 0.00 H new ATOM 1262 N PRO A 85 19.080 2.142 1.922 1.00 0.00 N ATOM 1263 CA PRO A 85 18.482 3.422 2.311 1.00 0.00 C ATOM 1264 C PRO A 85 17.026 3.539 1.873 1.00 0.00 C ATOM 1265 O PRO A 85 16.655 3.084 0.791 1.00 0.00 O ATOM 1266 CB PRO A 85 19.345 4.453 1.578 1.00 0.00 C ATOM 1267 CG PRO A 85 19.900 3.718 0.407 1.00 0.00 C ATOM 1268 CD PRO A 85 20.089 2.298 0.861 1.00 0.00 C ATOM 0 HA PRO A 85 18.464 3.552 3.393 1.00 0.00 H new ATOM 0 HB2 PRO A 85 18.753 5.312 1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 85 20.140 4.832 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 85 19.220 3.769 -0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 85 20.846 4.154 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 85 19.929 1.591 0.047 1.00 0.00 H new ATOM 0 HD3 PRO A 85 21.098 2.127 1.237 1.00 0.00 H new ATOM 1276 N SER A 86 16.205 4.152 2.720 1.00 0.00 N ATOM 1277 CA SER A 86 14.788 4.325 2.421 1.00 0.00 C ATOM 1278 C SER A 86 14.515 5.724 1.877 1.00 0.00 C ATOM 1279 O SER A 86 15.087 6.707 2.347 1.00 0.00 O ATOM 1280 CB SER A 86 13.948 4.080 3.675 1.00 0.00 C ATOM 1281 OG SER A 86 14.078 2.742 4.124 1.00 0.00 O ATOM 0 H SER A 86 16.497 4.537 3.618 1.00 0.00 H new ATOM 0 HA SER A 86 14.511 3.597 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.260 4.764 4.465 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.901 4.295 3.463 1.00 0.00 H new ATOM 0 HG SER A 86 13.532 2.612 4.928 1.00 0.00 H new ATOM 1287 N SER A 87 13.636 5.804 0.883 1.00 0.00 N ATOM 1288 CA SER A 87 13.288 7.081 0.271 1.00 0.00 C ATOM 1289 C SER A 87 11.783 7.185 0.049 1.00 0.00 C ATOM 1290 O SER A 87 11.191 6.370 -0.658 1.00 0.00 O ATOM 1291 CB SER A 87 14.025 7.251 -1.059 1.00 0.00 C ATOM 1292 OG SER A 87 15.408 7.476 -0.850 1.00 0.00 O ATOM 0 H SER A 87 13.152 5.000 0.484 1.00 0.00 H new ATOM 0 HA SER A 87 13.593 7.877 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.887 6.360 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.597 8.087 -1.612 1.00 0.00 H new ATOM 0 HG SER A 87 15.857 7.580 -1.715 1.00 0.00 H new ATOM 1298 N GLY A 88 11.168 8.194 0.659 1.00 0.00 N ATOM 1299 CA GLY A 88 9.737 8.387 0.516 1.00 0.00 C ATOM 1300 C GLY A 88 8.938 7.536 1.482 1.00 0.00 C ATOM 1301 O GLY A 88 9.451 7.112 2.517 1.00 0.00 O ATOM 0 H GLY A 88 11.636 8.881 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.497 9.438 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.441 8.147 -0.505 1.00 0.00 H new TER 1305 GLY A 88