USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 95 SER OG : rot -170:sc= 0.226 USER MOD Set 1.2: A 98 ASN : amide:sc= 0.238 X(o=0.46,f=0) USER MOD Set 2.1: A 90 THR OG1 : rot -126:sc= 0.516 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0.511 USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 27 TYR OH : rot -58:sc= 0.463 USER MOD Set 4.2: A 81 THR OG1 : rot 37:sc= 1.8 USER MOD Set 5.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 9 THR OG1 : rot 180:sc= 0.059 USER MOD Set 6.1: A 5 THR OG1 : rot 49:sc= 0.467 USER MOD Set 6.2: A 10 ASN : amide:sc= 0.343 K(o=0.81,f=-0.34) USER MOD Single : A 1 PCA N :NH3+ -106:sc= 1.38 (180deg=-0.289) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 105:sc= 1 USER MOD Single : A 11 TYR OH : rot 15:sc= -0.685 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.37) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.471 K(o=-0.47,f=-1.2) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0578 X(o=-0.058,f=-0.0087) USER MOD Single : A 29 ASN : amide:sc= -0.278 X(o=-0.28,f=-0.072) USER MOD Single : A 32 THR OG1 : rot 95:sc= 1.49 USER MOD Single : A 35 SER OG : rot -142:sc= 1.31 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.358 F(o=-0.88,f=-0.36) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -3.88 X(o=-3.9,f=-3.5) USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.022) USER MOD Single : A 63 SER OG : rot 98:sc= 0.6 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= -0.0468 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.7) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 14:sc= 0.232 USER MOD Single : A 91 HIS : no HD1:sc= -0.403 K(o=-0.4,f=-5!) USER MOD Single : A 97 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 98:sc= 0.0444 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0.0034) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 2.092 10.340 -7.307 1.00 0.00 N HETATM 2 CA PCA A 1 2.512 11.185 -6.182 1.00 0.00 C HETATM 3 CB PCA A 1 1.719 10.717 -4.958 1.00 0.00 C HETATM 4 CG PCA A 1 1.298 9.274 -5.262 1.00 0.00 C HETATM 5 CD PCA A 1 1.304 9.219 -6.786 1.00 0.00 C HETATM 6 OE PCA A 1 0.823 8.298 -7.443 1.00 0.00 O HETATM 7 C PCA A 1 4.021 11.092 -5.964 1.00 0.00 C HETATM 8 O PCA A 1 4.545 10.011 -5.703 1.00 0.00 O HETATM 0 H2 PCA A 1 1.866 10.940 -8.126 1.00 0.00 H new HETATM 0 HA PCA A 1 2.306 12.237 -6.378 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.328 10.765 -4.055 1.00 0.00 H new HETATM 0 HB3 PCA A 1 0.849 11.351 -4.790 1.00 0.00 H new HETATM 0 HG2 PCA A 1 1.993 8.553 -4.831 1.00 0.00 H new HETATM 0 HG3 PCA A 1 0.312 9.049 -4.855 1.00 0.00 H new ATOM 15 N SER A 2 4.708 12.236 -6.074 1.00 0.00 N ATOM 16 CA SER A 2 6.151 12.358 -5.917 1.00 0.00 C ATOM 17 C SER A 2 6.479 13.702 -5.265 1.00 0.00 C ATOM 18 O SER A 2 5.658 14.618 -5.291 1.00 0.00 O ATOM 19 CB SER A 2 6.826 12.265 -7.292 1.00 0.00 C ATOM 20 OG SER A 2 6.538 11.032 -7.915 1.00 0.00 O ATOM 0 H SER A 2 4.255 13.126 -6.281 1.00 0.00 H new ATOM 0 HA SER A 2 6.520 11.552 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.485 13.084 -7.925 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.904 12.377 -7.180 1.00 0.00 H new ATOM 0 HG SER A 2 6.978 10.997 -8.790 1.00 0.00 H new ATOM 26 N ALA A 3 7.678 13.811 -4.676 1.00 0.00 N ATOM 27 CA ALA A 3 8.156 15.026 -4.028 1.00 0.00 C ATOM 28 C ALA A 3 8.255 16.147 -5.059 1.00 0.00 C ATOM 29 O ALA A 3 8.754 15.927 -6.163 1.00 0.00 O ATOM 30 CB ALA A 3 9.517 14.770 -3.374 1.00 0.00 C ATOM 0 H ALA A 3 8.348 13.043 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 3 7.454 15.325 -3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.867 15.683 -2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.420 13.981 -2.629 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.235 14.464 -4.135 1.00 0.00 H new ATOM 36 N THR A 4 7.788 17.343 -4.683 1.00 0.00 N ATOM 37 CA THR A 4 7.783 18.511 -5.550 1.00 0.00 C ATOM 38 C THR A 4 8.780 19.542 -5.029 1.00 0.00 C ATOM 39 O THR A 4 8.997 19.673 -3.827 1.00 0.00 O ATOM 40 CB THR A 4 6.380 19.139 -5.626 1.00 0.00 C ATOM 41 OG1 THR A 4 5.924 19.442 -4.336 1.00 0.00 O ATOM 42 CG2 THR A 4 5.320 18.262 -6.298 1.00 0.00 C ATOM 0 H THR A 4 7.400 17.522 -3.757 1.00 0.00 H new ATOM 0 HA THR A 4 8.071 18.194 -6.552 1.00 0.00 H new ATOM 0 HB THR A 4 6.503 20.029 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.980 20.409 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.365 18.787 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.623 18.045 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.217 17.328 -5.745 1.00 0.00 H new ATOM 50 N THR A 5 9.395 20.259 -5.966 1.00 0.00 N ATOM 51 CA THR A 5 10.339 21.329 -5.769 1.00 0.00 C ATOM 52 C THR A 5 9.957 22.226 -6.939 1.00 0.00 C ATOM 53 O THR A 5 10.058 21.808 -8.091 1.00 0.00 O ATOM 54 CB THR A 5 11.770 20.771 -5.763 1.00 0.00 C ATOM 55 OG1 THR A 5 12.233 20.693 -4.432 1.00 0.00 O ATOM 56 CG2 THR A 5 12.719 21.645 -6.571 1.00 0.00 C ATOM 0 H THR A 5 9.225 20.084 -6.956 1.00 0.00 H new ATOM 0 HA THR A 5 10.312 21.871 -4.824 1.00 0.00 H new ATOM 0 HB THR A 5 11.748 19.782 -6.221 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.558 20.250 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.721 21.217 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.376 21.696 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.741 22.648 -6.146 1.00 0.00 H new ATOM 64 N CYS A 6 9.504 23.449 -6.642 1.00 0.00 N ATOM 65 CA CYS A 6 9.055 24.377 -7.663 1.00 0.00 C ATOM 66 C CYS A 6 9.629 25.771 -7.426 1.00 0.00 C ATOM 67 O CYS A 6 9.175 26.500 -6.544 1.00 0.00 O ATOM 68 CB CYS A 6 7.520 24.310 -7.688 1.00 0.00 C ATOM 69 SG CYS A 6 6.827 24.103 -9.348 1.00 0.00 S ATOM 0 H CYS A 6 9.442 23.813 -5.691 1.00 0.00 H new ATOM 0 HA CYS A 6 9.423 24.107 -8.653 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.191 23.481 -7.061 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.118 25.222 -7.247 1.00 0.00 H new ATOM 74 N GLY A 7 10.647 26.120 -8.227 1.00 0.00 N ATOM 75 CA GLY A 7 11.357 27.388 -8.173 1.00 0.00 C ATOM 76 C GLY A 7 12.412 27.343 -7.073 1.00 0.00 C ATOM 77 O GLY A 7 13.609 27.429 -7.344 1.00 0.00 O ATOM 0 H GLY A 7 11.004 25.499 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.829 27.592 -9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.655 28.200 -7.984 1.00 0.00 H new ATOM 81 N SER A 8 11.944 27.199 -5.830 1.00 0.00 N ATOM 82 CA SER A 8 12.746 27.123 -4.620 1.00 0.00 C ATOM 83 C SER A 8 11.959 26.379 -3.538 1.00 0.00 C ATOM 84 O SER A 8 12.510 25.519 -2.852 1.00 0.00 O ATOM 85 CB SER A 8 13.140 28.534 -4.161 1.00 0.00 C ATOM 86 OG SER A 8 12.001 29.341 -3.938 1.00 0.00 O ATOM 0 H SER A 8 10.945 27.129 -5.638 1.00 0.00 H new ATOM 0 HA SER A 8 13.665 26.572 -4.817 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.727 28.469 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.775 28.999 -4.915 1.00 0.00 H new ATOM 0 HG SER A 8 12.284 30.232 -3.645 1.00 0.00 H new ATOM 92 N THR A 9 10.673 26.725 -3.397 1.00 0.00 N ATOM 93 CA THR A 9 9.721 26.159 -2.455 1.00 0.00 C ATOM 94 C THR A 9 9.675 24.635 -2.630 1.00 0.00 C ATOM 95 O THR A 9 9.287 24.153 -3.693 1.00 0.00 O ATOM 96 CB THR A 9 8.352 26.821 -2.706 1.00 0.00 C ATOM 97 OG1 THR A 9 8.516 28.211 -2.906 1.00 0.00 O ATOM 98 CG2 THR A 9 7.392 26.626 -1.532 1.00 0.00 C ATOM 0 H THR A 9 10.252 27.452 -3.976 1.00 0.00 H new ATOM 0 HA THR A 9 10.015 26.353 -1.424 1.00 0.00 H new ATOM 0 HB THR A 9 7.930 26.344 -3.590 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.642 28.624 -3.067 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.441 27.110 -1.755 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.228 25.561 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.822 27.068 -0.633 1.00 0.00 H new ATOM 106 N ASN A 10 10.085 23.890 -1.593 1.00 0.00 N ATOM 107 CA ASN A 10 10.131 22.431 -1.577 1.00 0.00 C ATOM 108 C ASN A 10 8.982 21.854 -0.750 1.00 0.00 C ATOM 109 O ASN A 10 8.507 22.486 0.194 1.00 0.00 O ATOM 110 CB ASN A 10 11.491 21.976 -1.028 1.00 0.00 C ATOM 111 CG ASN A 10 11.630 20.452 -0.978 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.281 19.757 -1.930 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.133 19.923 0.141 1.00 0.00 N ATOM 0 H ASN A 10 10.403 24.305 -0.717 1.00 0.00 H new ATOM 0 HA ASN A 10 10.013 22.058 -2.594 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.285 22.389 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.627 22.382 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.238 18.912 0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.412 20.530 0.911 1.00 0.00 H new ATOM 120 N TYR A 11 8.536 20.647 -1.127 1.00 0.00 N ATOM 121 CA TYR A 11 7.465 19.912 -0.474 1.00 0.00 C ATOM 122 C TYR A 11 7.756 18.411 -0.568 1.00 0.00 C ATOM 123 O TYR A 11 8.227 17.926 -1.599 1.00 0.00 O ATOM 124 CB TYR A 11 6.106 20.197 -1.133 1.00 0.00 C ATOM 125 CG TYR A 11 5.867 21.591 -1.693 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.529 22.006 -2.866 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.974 22.474 -1.057 1.00 0.00 C ATOM 128 CE1 TYR A 11 6.308 23.282 -3.397 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.754 23.756 -1.589 1.00 0.00 C ATOM 130 CZ TYR A 11 5.421 24.157 -2.757 1.00 0.00 C ATOM 131 OH TYR A 11 5.224 25.399 -3.271 1.00 0.00 O ATOM 0 H TYR A 11 8.931 20.146 -1.923 1.00 0.00 H new ATOM 0 HA TYR A 11 7.418 20.232 0.567 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.971 19.482 -1.945 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.328 19.994 -0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.214 21.333 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.458 22.166 -0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.819 23.591 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.071 24.434 -1.098 1.00 0.00 H new ATOM 0 HH TYR A 11 5.574 25.434 -4.186 1.00 0.00 H new ATOM 141 N SER A 12 7.457 17.678 0.511 1.00 0.00 N ATOM 142 CA SER A 12 7.667 16.244 0.622 1.00 0.00 C ATOM 143 C SER A 12 6.657 15.502 -0.227 1.00 0.00 C ATOM 144 O SER A 12 5.565 16.008 -0.473 1.00 0.00 O ATOM 145 CB SER A 12 7.515 15.829 2.089 1.00 0.00 C ATOM 146 OG SER A 12 8.480 16.483 2.885 1.00 0.00 O ATOM 0 H SER A 12 7.050 18.086 1.352 1.00 0.00 H new ATOM 0 HA SER A 12 8.668 15.996 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.514 16.076 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.628 14.749 2.182 1.00 0.00 H new ATOM 0 HG SER A 12 8.371 16.211 3.820 1.00 0.00 H new ATOM 152 N ALA A 13 7.035 14.300 -0.684 1.00 0.00 N ATOM 153 CA ALA A 13 6.136 13.451 -1.449 1.00 0.00 C ATOM 154 C ALA A 13 4.907 13.185 -0.574 1.00 0.00 C ATOM 155 O ALA A 13 3.843 12.853 -1.089 1.00 0.00 O ATOM 156 CB ALA A 13 6.834 12.133 -1.798 1.00 0.00 C ATOM 0 H ALA A 13 7.961 13.901 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 13 5.845 13.934 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.155 11.502 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.725 12.339 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.120 11.619 -0.881 1.00 0.00 H new ATOM 162 N SER A 14 5.070 13.351 0.750 1.00 0.00 N ATOM 163 CA SER A 14 4.029 13.168 1.743 1.00 0.00 C ATOM 164 C SER A 14 3.019 14.313 1.654 1.00 0.00 C ATOM 165 O SER A 14 1.823 14.063 1.747 1.00 0.00 O ATOM 166 CB SER A 14 4.659 13.106 3.138 1.00 0.00 C ATOM 167 OG SER A 14 5.575 12.035 3.212 1.00 0.00 O ATOM 0 H SER A 14 5.964 13.625 1.159 1.00 0.00 H new ATOM 0 HA SER A 14 3.503 12.232 1.555 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.168 14.045 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.881 12.981 3.891 1.00 0.00 H new ATOM 0 HG SER A 14 5.973 12.006 4.107 1.00 0.00 H new ATOM 173 N GLN A 15 3.489 15.556 1.465 1.00 0.00 N ATOM 174 CA GLN A 15 2.645 16.743 1.374 1.00 0.00 C ATOM 175 C GLN A 15 1.872 16.798 0.059 1.00 0.00 C ATOM 176 O GLN A 15 0.695 17.155 0.047 1.00 0.00 O ATOM 177 CB GLN A 15 3.502 18.000 1.557 1.00 0.00 C ATOM 178 CG GLN A 15 4.069 18.079 2.978 1.00 0.00 C ATOM 179 CD GLN A 15 3.018 18.529 3.990 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.752 19.722 4.120 1.00 0.00 O ATOM 181 NE2 GLN A 15 2.422 17.576 4.714 1.00 0.00 N ATOM 0 H GLN A 15 4.484 15.761 1.370 1.00 0.00 H new ATOM 0 HA GLN A 15 1.904 16.693 2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.319 17.995 0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.902 18.886 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.457 17.103 3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.909 18.773 2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.673 16.597 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.716 17.828 5.406 1.00 0.00 H new ATOM 190 N VAL A 16 2.538 16.438 -1.043 1.00 0.00 N ATOM 191 CA VAL A 16 1.950 16.418 -2.378 1.00 0.00 C ATOM 192 C VAL A 16 0.825 15.383 -2.370 1.00 0.00 C ATOM 193 O VAL A 16 -0.284 15.658 -2.825 1.00 0.00 O ATOM 194 CB VAL A 16 3.005 16.087 -3.438 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.430 16.239 -4.843 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.200 17.046 -3.320 1.00 0.00 C ATOM 0 H VAL A 16 3.516 16.148 -1.028 1.00 0.00 H new ATOM 0 HA VAL A 16 1.552 17.400 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 16 3.321 15.057 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.198 15.999 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.585 15.561 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.096 17.266 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.942 16.799 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.860 18.071 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.648 16.949 -2.331 1.00 0.00 H new ATOM 206 N ARG A 17 1.133 14.194 -1.832 1.00 0.00 N ATOM 207 CA ARG A 17 0.211 13.080 -1.708 1.00 0.00 C ATOM 208 C ARG A 17 -0.906 13.402 -0.719 1.00 0.00 C ATOM 209 O ARG A 17 -2.035 12.980 -0.947 1.00 0.00 O ATOM 210 CB ARG A 17 0.984 11.819 -1.298 1.00 0.00 C ATOM 211 CG ARG A 17 0.131 10.542 -1.297 1.00 0.00 C ATOM 212 CD ARG A 17 -0.429 10.212 0.091 1.00 0.00 C ATOM 213 NE ARG A 17 -1.229 8.981 0.055 1.00 0.00 N ATOM 214 CZ ARG A 17 -1.864 8.452 1.115 1.00 0.00 C ATOM 215 NH1 ARG A 17 -1.824 9.052 2.313 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.543 7.305 0.973 1.00 0.00 N ATOM 0 H ARG A 17 2.061 13.985 -1.463 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.262 12.898 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.825 11.682 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.401 11.967 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.694 10.659 -2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.734 9.706 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.391 10.097 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.044 11.039 0.446 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.308 8.493 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.306 9.923 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.311 8.638 3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.575 6.840 0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.028 6.897 1.772 1.00 0.00 H new ATOM 230 N ALA A 18 -0.619 14.139 0.367 1.00 0.00 N ATOM 231 CA ALA A 18 -1.630 14.476 1.361 1.00 0.00 C ATOM 232 C ALA A 18 -2.698 15.355 0.719 1.00 0.00 C ATOM 233 O ALA A 18 -3.886 15.055 0.822 1.00 0.00 O ATOM 234 CB ALA A 18 -1.002 15.174 2.570 1.00 0.00 C ATOM 0 H ALA A 18 0.309 14.509 0.572 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.093 13.557 1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.779 15.414 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.267 14.514 3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.512 16.092 2.246 1.00 0.00 H new ATOM 240 N ALA A 19 -2.268 16.432 0.047 1.00 0.00 N ATOM 241 CA ALA A 19 -3.186 17.340 -0.618 1.00 0.00 C ATOM 242 C ALA A 19 -3.913 16.615 -1.751 1.00 0.00 C ATOM 243 O ALA A 19 -5.096 16.855 -1.968 1.00 0.00 O ATOM 244 CB ALA A 19 -2.473 18.612 -1.095 1.00 0.00 C ATOM 0 H ALA A 19 -1.285 16.688 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.938 17.667 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.190 19.268 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.038 19.128 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.683 18.345 -1.797 1.00 0.00 H new ATOM 250 N ALA A 20 -3.240 15.716 -2.479 1.00 0.00 N ATOM 251 CA ALA A 20 -3.907 14.998 -3.556 1.00 0.00 C ATOM 252 C ALA A 20 -4.985 14.061 -3.033 1.00 0.00 C ATOM 253 O ALA A 20 -6.070 13.983 -3.610 1.00 0.00 O ATOM 254 CB ALA A 20 -2.895 14.311 -4.476 1.00 0.00 C ATOM 0 H ALA A 20 -2.258 15.477 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.431 15.728 -4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.424 13.784 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.235 15.060 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.304 13.600 -3.900 1.00 0.00 H new ATOM 260 N ASN A 21 -4.686 13.364 -1.938 1.00 0.00 N ATOM 261 CA ASN A 21 -5.624 12.470 -1.292 1.00 0.00 C ATOM 262 C ASN A 21 -6.737 13.313 -0.651 1.00 0.00 C ATOM 263 O ASN A 21 -7.815 12.788 -0.376 1.00 0.00 O ATOM 264 CB ASN A 21 -4.870 11.645 -0.240 1.00 0.00 C ATOM 265 CG ASN A 21 -5.785 10.677 0.506 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.082 10.882 1.681 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.234 9.620 -0.176 1.00 0.00 N ATOM 0 H ASN A 21 -3.777 13.410 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.076 11.784 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.071 11.084 -0.726 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.397 12.318 0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.849 8.944 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.962 9.489 -1.150 1.00 0.00 H new ATOM 274 N ALA A 22 -6.494 14.620 -0.436 1.00 0.00 N ATOM 275 CA ALA A 22 -7.471 15.494 0.205 1.00 0.00 C ATOM 276 C ALA A 22 -8.478 15.892 -0.863 1.00 0.00 C ATOM 277 O ALA A 22 -9.660 15.578 -0.736 1.00 0.00 O ATOM 278 CB ALA A 22 -6.793 16.692 0.868 1.00 0.00 C ATOM 0 H ALA A 22 -5.626 15.086 -0.700 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.988 14.982 1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.548 17.324 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.093 16.340 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.254 17.268 0.115 1.00 0.00 H new ATOM 284 N ALA A 23 -7.996 16.593 -1.899 1.00 0.00 N ATOM 285 CA ALA A 23 -8.797 17.006 -3.045 1.00 0.00 C ATOM 286 C ALA A 23 -9.651 15.850 -3.568 1.00 0.00 C ATOM 287 O ALA A 23 -10.820 16.069 -3.854 1.00 0.00 O ATOM 288 CB ALA A 23 -7.900 17.518 -4.169 1.00 0.00 C ATOM 0 H ALA A 23 -7.022 16.890 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.456 17.808 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.515 17.822 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.324 18.373 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.219 16.726 -4.481 1.00 0.00 H new ATOM 294 N CYS A 24 -9.091 14.636 -3.700 1.00 0.00 N ATOM 295 CA CYS A 24 -9.842 13.475 -4.169 1.00 0.00 C ATOM 296 C CYS A 24 -10.995 13.167 -3.212 1.00 0.00 C ATOM 297 O CYS A 24 -12.133 13.011 -3.650 1.00 0.00 O ATOM 298 CB CYS A 24 -8.927 12.248 -4.319 1.00 0.00 C ATOM 299 SG CYS A 24 -9.833 10.672 -4.459 1.00 0.00 S ATOM 0 H CYS A 24 -8.113 14.440 -3.485 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.253 13.711 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.302 12.378 -5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.258 12.197 -3.460 1.00 0.00 H new ATOM 304 N GLN A 25 -10.697 13.094 -1.907 1.00 0.00 N ATOM 305 CA GLN A 25 -11.674 12.786 -0.872 1.00 0.00 C ATOM 306 C GLN A 25 -12.702 13.911 -0.675 1.00 0.00 C ATOM 307 O GLN A 25 -13.674 13.709 0.043 1.00 0.00 O ATOM 308 CB GLN A 25 -10.920 12.388 0.410 1.00 0.00 C ATOM 309 CG GLN A 25 -11.733 11.536 1.399 1.00 0.00 C ATOM 310 CD GLN A 25 -12.588 12.353 2.363 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.116 13.329 2.940 1.00 0.00 O ATOM 312 NE2 GLN A 25 -13.848 11.951 2.551 1.00 0.00 N ATOM 0 H GLN A 25 -9.757 13.250 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.283 11.937 -1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.022 11.837 0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.592 13.295 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.380 10.863 0.837 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.048 10.913 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.203 11.135 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.455 12.460 3.193 1.00 0.00 H new ATOM 321 N TYR A 26 -12.502 15.089 -1.288 1.00 0.00 N ATOM 322 CA TYR A 26 -13.426 16.222 -1.198 1.00 0.00 C ATOM 323 C TYR A 26 -14.070 16.578 -2.548 1.00 0.00 C ATOM 324 O TYR A 26 -15.079 17.282 -2.559 1.00 0.00 O ATOM 325 CB TYR A 26 -12.714 17.460 -0.633 1.00 0.00 C ATOM 326 CG TYR A 26 -12.000 17.327 0.700 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.520 16.518 1.731 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.804 18.039 0.912 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.847 16.428 2.961 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.135 17.947 2.145 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.656 17.141 3.170 1.00 0.00 C ATOM 332 OH TYR A 26 -10.009 17.061 4.369 1.00 0.00 O ATOM 0 H TYR A 26 -11.683 15.280 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.223 15.910 -0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.983 17.791 -1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.453 18.255 -0.538 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.436 15.967 1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.399 18.658 0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.248 15.808 3.749 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.219 18.497 2.304 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.201 17.615 4.343 1.00 0.00 H new ATOM 342 N TYR A 27 -13.525 16.100 -3.679 1.00 0.00 N ATOM 343 CA TYR A 27 -14.027 16.398 -5.016 1.00 0.00 C ATOM 344 C TYR A 27 -15.427 15.800 -5.208 1.00 0.00 C ATOM 345 O TYR A 27 -16.346 16.516 -5.602 1.00 0.00 O ATOM 346 CB TYR A 27 -13.010 15.962 -6.100 1.00 0.00 C ATOM 347 CG TYR A 27 -13.535 16.115 -7.520 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.258 15.052 -8.091 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.332 17.293 -8.270 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.784 15.154 -9.387 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.874 17.395 -9.562 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.605 16.336 -10.121 1.00 0.00 C ATOM 353 OH TYR A 27 -15.123 16.457 -11.379 1.00 0.00 O ATOM 0 H TYR A 27 -12.710 15.486 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.136 17.477 -5.129 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.100 16.552 -5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.736 14.920 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.410 14.146 -7.524 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.763 18.111 -7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.325 14.325 -9.819 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.726 18.300 -10.132 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.764 15.746 -11.950 1.00 0.00 H new ATOM 363 N GLN A 28 -15.588 14.502 -4.920 1.00 0.00 N ATOM 364 CA GLN A 28 -16.850 13.776 -5.063 1.00 0.00 C ATOM 365 C GLN A 28 -17.725 13.775 -3.807 1.00 0.00 C ATOM 366 O GLN A 28 -18.945 13.673 -3.930 1.00 0.00 O ATOM 367 CB GLN A 28 -16.570 12.332 -5.512 1.00 0.00 C ATOM 368 CG GLN A 28 -16.772 12.157 -7.021 1.00 0.00 C ATOM 369 CD GLN A 28 -18.252 12.103 -7.402 1.00 0.00 C ATOM 370 OE1 GLN A 28 -18.865 11.039 -7.349 1.00 0.00 O ATOM 371 NE2 GLN A 28 -18.832 13.241 -7.793 1.00 0.00 N ATOM 0 H GLN A 28 -14.827 13.918 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.422 14.312 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.548 12.061 -5.248 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.229 11.650 -4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.292 12.982 -7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.280 11.241 -7.348 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -18.291 14.105 -7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.816 13.246 -8.060 1.00 0.00 H new ATOM 380 N ASN A 29 -17.138 13.895 -2.609 1.00 0.00 N ATOM 381 CA ASN A 29 -17.883 13.878 -1.352 1.00 0.00 C ATOM 382 C ASN A 29 -18.855 15.056 -1.216 1.00 0.00 C ATOM 383 O ASN A 29 -19.839 14.941 -0.487 1.00 0.00 O ATOM 384 CB ASN A 29 -16.917 13.817 -0.163 1.00 0.00 C ATOM 385 CG ASN A 29 -16.395 12.399 0.081 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.637 11.827 1.141 1.00 0.00 O ATOM 387 ND2 ASN A 29 -15.684 11.823 -0.892 1.00 0.00 N ATOM 0 H ASN A 29 -16.131 14.007 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.498 12.978 -1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.076 14.486 -0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -17.423 14.176 0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.322 10.877 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.503 12.329 -1.759 1.00 0.00 H new ATOM 394 N ASP A 30 -18.584 16.171 -1.907 1.00 0.00 N ATOM 395 CA ASP A 30 -19.414 17.370 -1.904 1.00 0.00 C ATOM 396 C ASP A 30 -19.448 18.029 -0.519 1.00 0.00 C ATOM 397 O ASP A 30 -20.510 18.405 -0.025 1.00 0.00 O ATOM 398 CB ASP A 30 -20.811 17.053 -2.471 1.00 0.00 C ATOM 399 CG ASP A 30 -21.589 18.311 -2.851 1.00 0.00 C ATOM 400 OD1 ASP A 30 -21.189 18.947 -3.851 1.00 0.00 O ATOM 401 OD2 ASP A 30 -22.576 18.612 -2.144 1.00 0.00 O ATOM 0 H ASP A 30 -17.757 16.260 -2.498 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.967 18.113 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.707 16.415 -3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.379 16.488 -1.732 1.00 0.00 H new ATOM 406 N ASP A 31 -18.272 18.157 0.106 1.00 0.00 N ATOM 407 CA ASP A 31 -18.083 18.771 1.413 1.00 0.00 C ATOM 408 C ASP A 31 -16.589 18.994 1.644 1.00 0.00 C ATOM 409 O ASP A 31 -15.763 18.249 1.117 1.00 0.00 O ATOM 410 CB ASP A 31 -18.712 17.937 2.542 1.00 0.00 C ATOM 411 CG ASP A 31 -18.203 16.497 2.592 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.020 16.315 2.953 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.012 15.598 2.274 1.00 0.00 O ATOM 0 H ASP A 31 -17.400 17.823 -0.303 1.00 0.00 H new ATOM 0 HA ASP A 31 -18.598 19.731 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.507 18.420 3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.795 17.927 2.416 1.00 0.00 H new ATOM 418 N THR A 32 -16.262 20.026 2.436 1.00 0.00 N ATOM 419 CA THR A 32 -14.905 20.437 2.784 1.00 0.00 C ATOM 420 C THR A 32 -13.990 20.519 1.560 1.00 0.00 C ATOM 421 O THR A 32 -12.820 20.150 1.625 1.00 0.00 O ATOM 422 CB THR A 32 -14.345 19.572 3.931 1.00 0.00 C ATOM 423 OG1 THR A 32 -14.257 18.215 3.557 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.209 19.683 5.190 1.00 0.00 C ATOM 0 H THR A 32 -16.971 20.619 2.867 1.00 0.00 H new ATOM 0 HA THR A 32 -14.946 21.458 3.165 1.00 0.00 H new ATOM 0 HB THR A 32 -13.346 19.951 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.352 18.023 3.234 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.785 19.061 5.978 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.236 20.721 5.522 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.222 19.347 4.967 1.00 0.00 H new ATOM 432 N ALA A 33 -14.541 21.022 0.448 1.00 0.00 N ATOM 433 CA ALA A 33 -13.859 21.165 -0.825 1.00 0.00 C ATOM 434 C ALA A 33 -13.237 22.549 -0.958 1.00 0.00 C ATOM 435 O ALA A 33 -13.848 23.483 -1.475 1.00 0.00 O ATOM 436 CB ALA A 33 -14.850 20.873 -1.941 1.00 0.00 C ATOM 0 H ALA A 33 -15.507 21.349 0.419 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.037 20.452 -0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.353 20.976 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.228 19.856 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.680 21.577 -1.884 1.00 0.00 H new ATOM 442 N GLY A 34 -11.994 22.637 -0.484 1.00 0.00 N ATOM 443 CA GLY A 34 -11.168 23.835 -0.469 1.00 0.00 C ATOM 444 C GLY A 34 -11.872 25.025 0.182 1.00 0.00 C ATOM 445 O GLY A 34 -12.581 24.866 1.176 1.00 0.00 O ATOM 0 H GLY A 34 -11.516 21.831 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.242 23.627 0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.893 24.095 -1.491 1.00 0.00 H new ATOM 449 N SER A 35 -11.663 26.216 -0.394 1.00 0.00 N ATOM 450 CA SER A 35 -12.252 27.468 0.068 1.00 0.00 C ATOM 451 C SER A 35 -12.382 28.508 -1.052 1.00 0.00 C ATOM 452 O SER A 35 -13.340 29.279 -1.045 1.00 0.00 O ATOM 453 CB SER A 35 -11.439 28.037 1.238 1.00 0.00 C ATOM 454 OG SER A 35 -10.142 28.394 0.810 1.00 0.00 O ATOM 0 H SER A 35 -11.065 26.333 -1.212 1.00 0.00 H new ATOM 0 HA SER A 35 -13.263 27.241 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.946 28.910 1.650 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.374 27.299 2.037 1.00 0.00 H new ATOM 0 HG SER A 35 -9.495 28.181 1.514 1.00 0.00 H new ATOM 460 N SER A 36 -11.440 28.537 -2.009 1.00 0.00 N ATOM 461 CA SER A 36 -11.440 29.486 -3.110 1.00 0.00 C ATOM 462 C SER A 36 -12.378 28.985 -4.212 1.00 0.00 C ATOM 463 O SER A 36 -13.594 29.122 -4.083 1.00 0.00 O ATOM 464 CB SER A 36 -9.991 29.707 -3.568 1.00 0.00 C ATOM 465 OG SER A 36 -9.940 30.613 -4.651 1.00 0.00 O ATOM 0 H SER A 36 -10.652 27.890 -2.031 1.00 0.00 H new ATOM 0 HA SER A 36 -11.825 30.459 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.397 30.091 -2.739 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.549 28.755 -3.863 1.00 0.00 H new ATOM 0 HG SER A 36 -9.008 30.741 -4.926 1.00 0.00 H new ATOM 471 N THR A 37 -11.823 28.423 -5.292 1.00 0.00 N ATOM 472 CA THR A 37 -12.569 27.883 -6.419 1.00 0.00 C ATOM 473 C THR A 37 -11.939 26.558 -6.851 1.00 0.00 C ATOM 474 O THR A 37 -11.917 26.252 -8.040 1.00 0.00 O ATOM 475 CB THR A 37 -12.587 28.903 -7.572 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.266 29.189 -7.992 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.288 30.209 -7.183 1.00 0.00 C ATOM 0 H THR A 37 -10.813 28.332 -5.403 1.00 0.00 H new ATOM 0 HA THR A 37 -13.602 27.694 -6.128 1.00 0.00 H new ATOM 0 HB THR A 37 -13.150 28.450 -8.388 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.289 29.837 -8.727 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.274 30.895 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.320 29.999 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.769 30.663 -6.339 1.00 0.00 H new ATOM 485 N TYR A 38 -11.430 25.775 -5.888 1.00 0.00 N ATOM 486 CA TYR A 38 -10.782 24.495 -6.137 1.00 0.00 C ATOM 487 C TYR A 38 -11.332 23.455 -5.156 1.00 0.00 C ATOM 488 O TYR A 38 -11.694 23.809 -4.034 1.00 0.00 O ATOM 489 CB TYR A 38 -9.261 24.684 -5.989 1.00 0.00 C ATOM 490 CG TYR A 38 -8.642 25.729 -6.912 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.939 25.713 -8.285 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.778 26.724 -6.412 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.387 26.676 -9.147 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.228 27.688 -7.270 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.531 27.667 -8.640 1.00 0.00 C ATOM 496 OH TYR A 38 -6.985 28.600 -9.472 1.00 0.00 O ATOM 0 H TYR A 38 -11.462 26.025 -4.900 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.986 24.136 -7.146 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.044 24.960 -4.957 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.773 23.727 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.597 24.954 -8.682 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.537 26.744 -5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.622 26.654 -10.201 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.570 28.448 -6.875 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.419 29.209 -8.954 1.00 0.00 H new ATOM 506 N PRO A 39 -11.414 22.173 -5.552 1.00 0.00 N ATOM 507 CA PRO A 39 -11.018 21.632 -6.840 1.00 0.00 C ATOM 508 C PRO A 39 -12.095 21.822 -7.914 1.00 0.00 C ATOM 509 O PRO A 39 -13.240 21.418 -7.719 1.00 0.00 O ATOM 510 CB PRO A 39 -10.741 20.153 -6.560 1.00 0.00 C ATOM 511 CG PRO A 39 -11.773 19.808 -5.487 1.00 0.00 C ATOM 512 CD PRO A 39 -11.912 21.112 -4.698 1.00 0.00 C ATOM 0 HA PRO A 39 -10.147 22.147 -7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.868 19.542 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.722 19.993 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.722 19.501 -5.926 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.435 18.988 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.952 21.291 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.344 21.064 -3.769 1.00 0.00 H new ATOM 520 N HIS A 40 -11.718 22.449 -9.040 1.00 0.00 N ATOM 521 CA HIS A 40 -12.602 22.691 -10.174 1.00 0.00 C ATOM 522 C HIS A 40 -11.872 22.454 -11.493 1.00 0.00 C ATOM 523 O HIS A 40 -10.641 22.408 -11.540 1.00 0.00 O ATOM 524 CB HIS A 40 -13.277 24.072 -10.103 1.00 0.00 C ATOM 525 CG HIS A 40 -12.536 25.233 -10.729 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.210 25.477 -11.008 1.00 0.00 N flip ATOM 527 CD2 HIS A 40 -13.203 26.372 -11.155 1.00 0.00 C flip ATOM 528 CE1 HIS A 40 -11.049 26.723 -11.604 1.00 0.00 C flip ATOM 529 NE2 HIS A 40 -12.286 27.213 -11.660 1.00 0.00 N flip ATOM 0 H HIS A 40 -10.773 22.805 -9.183 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.415 21.966 -10.123 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.254 23.996 -10.581 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.453 24.309 -9.054 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.266 26.550 -11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.134 27.186 -11.943 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -12.513 28.130 -12.046 1.00 0.00 H new ATOM 537 N THR A 41 -12.674 22.302 -12.555 1.00 0.00 N ATOM 538 CA THR A 41 -12.296 22.044 -13.921 1.00 0.00 C ATOM 539 C THR A 41 -11.190 22.972 -14.420 1.00 0.00 C ATOM 540 O THR A 41 -11.324 24.193 -14.362 1.00 0.00 O ATOM 541 CB THR A 41 -13.570 22.171 -14.765 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.648 21.471 -14.170 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.333 21.561 -16.136 1.00 0.00 C ATOM 0 H THR A 41 -13.687 22.365 -12.455 1.00 0.00 H new ATOM 0 HA THR A 41 -11.871 21.044 -14.003 1.00 0.00 H new ATOM 0 HB THR A 41 -13.814 23.231 -14.839 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.449 21.569 -14.727 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.239 21.651 -16.736 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.516 22.085 -16.631 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.074 20.508 -16.026 1.00 0.00 H new ATOM 551 N TYR A 42 -10.102 22.359 -14.898 1.00 0.00 N ATOM 552 CA TYR A 42 -8.931 23.017 -15.455 1.00 0.00 C ATOM 553 C TYR A 42 -8.890 22.584 -16.920 1.00 0.00 C ATOM 554 O TYR A 42 -8.007 21.835 -17.335 1.00 0.00 O ATOM 555 CB TYR A 42 -7.706 22.575 -14.645 1.00 0.00 C ATOM 556 CG TYR A 42 -6.355 23.172 -15.007 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.228 24.325 -15.810 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.197 22.551 -14.507 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.953 24.842 -16.105 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.923 23.057 -14.817 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.800 24.205 -15.616 1.00 0.00 C ATOM 562 OH TYR A 42 -2.562 24.701 -15.909 1.00 0.00 O ATOM 0 H TYR A 42 -10.017 21.343 -14.904 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.953 24.106 -15.405 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.900 22.801 -13.597 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.625 21.491 -14.728 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.110 24.811 -16.199 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.287 21.677 -13.879 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.860 25.732 -16.710 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.039 22.563 -14.441 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.877 24.139 -15.490 1.00 0.00 H new ATOM 572 N ASN A 43 -9.875 23.068 -17.689 1.00 0.00 N ATOM 573 CA ASN A 43 -10.065 22.759 -19.097 1.00 0.00 C ATOM 574 C ASN A 43 -8.983 23.375 -19.991 1.00 0.00 C ATOM 575 O ASN A 43 -9.155 24.465 -20.532 1.00 0.00 O ATOM 576 CB ASN A 43 -11.496 23.154 -19.513 1.00 0.00 C ATOM 577 CG ASN A 43 -12.091 22.141 -20.488 1.00 0.00 C ATOM 578 OD1 ASN A 43 -12.082 22.356 -21.699 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.616 21.034 -19.953 1.00 0.00 N ATOM 0 H ASN A 43 -10.582 23.708 -17.327 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.952 21.684 -19.239 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.128 23.224 -18.628 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.483 24.141 -19.974 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.032 20.324 -20.556 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.600 20.899 -18.942 1.00 0.00 H new ATOM 586 N ASN A 44 -7.860 22.659 -20.127 1.00 0.00 N ATOM 587 CA ASN A 44 -6.708 23.025 -20.940 1.00 0.00 C ATOM 588 C ASN A 44 -6.349 21.801 -21.781 1.00 0.00 C ATOM 589 O ASN A 44 -6.344 20.682 -21.265 1.00 0.00 O ATOM 590 CB ASN A 44 -5.532 23.461 -20.053 1.00 0.00 C ATOM 591 CG ASN A 44 -5.603 24.942 -19.681 1.00 0.00 C ATOM 592 OD1 ASN A 44 -6.658 25.355 -18.976 1.00 0.00 O flip ATOM 593 ND2 ASN A 44 -4.707 25.709 -20.030 1.00 0.00 N flip ATOM 0 H ASN A 44 -7.730 21.768 -19.648 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.939 23.873 -21.585 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.524 22.860 -19.143 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.595 23.264 -20.574 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.915 25.357 -20.568 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.756 26.697 -19.781 1.00 0.00 H new ATOM 600 N TYR A 45 -6.043 22.026 -23.068 1.00 0.00 N ATOM 601 CA TYR A 45 -5.709 20.985 -24.030 1.00 0.00 C ATOM 602 C TYR A 45 -4.273 21.148 -24.532 1.00 0.00 C ATOM 603 O TYR A 45 -3.871 22.252 -24.894 1.00 0.00 O ATOM 604 CB TYR A 45 -6.724 21.049 -25.181 1.00 0.00 C ATOM 605 CG TYR A 45 -6.943 19.739 -25.911 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.688 18.719 -25.290 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.421 19.537 -27.201 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.910 17.503 -25.955 1.00 0.00 C ATOM 609 CE2 TYR A 45 -6.643 18.320 -27.867 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.390 17.303 -27.245 1.00 0.00 C ATOM 611 OH TYR A 45 -7.616 16.124 -27.894 1.00 0.00 O ATOM 0 H TYR A 45 -6.023 22.963 -23.470 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.764 20.005 -23.556 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.680 21.392 -24.785 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.390 21.797 -25.900 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.090 18.872 -24.299 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.849 20.318 -27.680 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.480 16.721 -25.475 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.240 18.165 -28.857 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.189 16.149 -28.776 1.00 0.00 H new ATOM 621 N GLU A 46 -3.520 20.036 -24.548 1.00 0.00 N ATOM 622 CA GLU A 46 -2.129 19.917 -24.983 1.00 0.00 C ATOM 623 C GLU A 46 -1.233 21.082 -24.542 1.00 0.00 C ATOM 624 O GLU A 46 -0.451 21.606 -25.333 1.00 0.00 O ATOM 625 CB GLU A 46 -2.054 19.594 -26.488 1.00 0.00 C ATOM 626 CG GLU A 46 -2.613 20.679 -27.419 1.00 0.00 C ATOM 627 CD GLU A 46 -2.545 20.232 -28.876 1.00 0.00 C ATOM 628 OE1 GLU A 46 -3.488 19.528 -29.300 1.00 0.00 O ATOM 629 OE2 GLU A 46 -1.550 20.595 -29.541 1.00 0.00 O ATOM 0 H GLU A 46 -3.896 19.141 -24.236 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.699 19.066 -24.455 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.012 19.412 -26.753 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.596 18.666 -26.671 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.646 20.899 -27.149 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.047 21.602 -27.290 1.00 0.00 H new ATOM 636 N GLY A 47 -1.343 21.474 -23.265 1.00 0.00 N ATOM 637 CA GLY A 47 -0.581 22.566 -22.681 1.00 0.00 C ATOM 638 C GLY A 47 0.697 22.032 -22.043 1.00 0.00 C ATOM 639 O GLY A 47 1.772 22.124 -22.633 1.00 0.00 O ATOM 0 H GLY A 47 -1.978 21.027 -22.604 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.334 23.299 -23.449 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.183 23.080 -21.932 1.00 0.00 H new ATOM 643 N PHE A 48 0.565 21.469 -20.834 1.00 0.00 N ATOM 644 CA PHE A 48 1.669 20.916 -20.060 1.00 0.00 C ATOM 645 C PHE A 48 2.056 19.512 -20.531 1.00 0.00 C ATOM 646 O PHE A 48 1.381 18.919 -21.371 1.00 0.00 O ATOM 647 CB PHE A 48 1.309 20.930 -18.565 1.00 0.00 C ATOM 648 CG PHE A 48 2.004 22.033 -17.794 1.00 0.00 C ATOM 649 CD1 PHE A 48 3.376 21.918 -17.501 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.292 23.172 -17.378 1.00 0.00 C ATOM 651 CE1 PHE A 48 4.033 22.937 -16.794 1.00 0.00 C ATOM 652 CE2 PHE A 48 1.952 24.193 -16.672 1.00 0.00 C ATOM 653 CZ PHE A 48 3.322 24.075 -16.378 1.00 0.00 C ATOM 0 H PHE A 48 -0.336 21.387 -20.362 1.00 0.00 H new ATOM 0 HA PHE A 48 2.546 21.544 -20.218 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.230 21.045 -18.459 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.571 19.968 -18.126 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.924 21.044 -17.821 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.239 23.262 -17.601 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.086 22.846 -16.570 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.406 25.069 -16.355 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.827 24.859 -15.833 1.00 0.00 H new ATOM 663 N ASP A 49 3.153 18.988 -19.959 1.00 0.00 N ATOM 664 CA ASP A 49 3.718 17.676 -20.269 1.00 0.00 C ATOM 665 C ASP A 49 3.042 16.467 -19.627 1.00 0.00 C ATOM 666 O ASP A 49 3.495 15.330 -19.739 1.00 0.00 O ATOM 667 CB ASP A 49 5.208 17.727 -19.943 1.00 0.00 C ATOM 668 CG ASP A 49 6.006 16.567 -20.536 1.00 0.00 C ATOM 669 OD1 ASP A 49 5.934 16.398 -21.773 1.00 0.00 O ATOM 670 OD2 ASP A 49 6.675 15.871 -19.742 1.00 0.00 O ATOM 0 H ASP A 49 3.684 19.487 -19.245 1.00 0.00 H new ATOM 0 HA ASP A 49 3.534 17.502 -21.329 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.620 18.666 -20.312 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.334 17.727 -18.860 1.00 0.00 H new ATOM 675 N PHE A 50 1.940 16.761 -18.966 1.00 0.00 N ATOM 676 CA PHE A 50 1.052 15.855 -18.269 1.00 0.00 C ATOM 677 C PHE A 50 -0.391 16.056 -18.749 1.00 0.00 C ATOM 678 O PHE A 50 -1.241 16.518 -17.990 1.00 0.00 O ATOM 679 CB PHE A 50 1.286 15.991 -16.759 1.00 0.00 C ATOM 680 CG PHE A 50 1.022 17.326 -16.080 1.00 0.00 C ATOM 681 CD1 PHE A 50 2.030 18.308 -16.031 1.00 0.00 C ATOM 682 CD2 PHE A 50 -0.223 17.583 -15.479 1.00 0.00 C ATOM 683 CE1 PHE A 50 1.788 19.537 -15.390 1.00 0.00 C ATOM 684 CE2 PHE A 50 -0.474 18.817 -14.856 1.00 0.00 C ATOM 685 CZ PHE A 50 0.532 19.793 -14.812 1.00 0.00 C ATOM 0 H PHE A 50 1.616 17.726 -18.898 1.00 0.00 H new ATOM 0 HA PHE A 50 1.267 14.812 -18.503 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.666 15.244 -16.263 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.325 15.724 -16.564 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.991 18.118 -16.486 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.993 16.826 -15.496 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.567 20.284 -15.342 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.439 19.013 -14.412 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.342 20.742 -14.334 1.00 0.00 H new ATOM 695 N PRO A 51 -0.697 15.718 -20.015 1.00 0.00 N ATOM 696 CA PRO A 51 -2.038 15.849 -20.564 1.00 0.00 C ATOM 697 C PRO A 51 -2.977 14.821 -19.924 1.00 0.00 C ATOM 698 O PRO A 51 -4.112 15.159 -19.593 1.00 0.00 O ATOM 699 CB PRO A 51 -1.893 15.629 -22.071 1.00 0.00 C ATOM 700 CG PRO A 51 -0.654 14.742 -22.195 1.00 0.00 C ATOM 701 CD PRO A 51 0.217 15.198 -21.023 1.00 0.00 C ATOM 0 HA PRO A 51 -2.474 16.827 -20.359 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.775 15.145 -22.491 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.764 16.572 -22.602 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.906 13.684 -22.122 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.150 14.884 -23.151 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.802 14.368 -20.627 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.925 15.964 -21.339 1.00 0.00 H new ATOM 709 N VAL A 52 -2.490 13.583 -19.748 1.00 0.00 N ATOM 710 CA VAL A 52 -3.212 12.455 -19.176 1.00 0.00 C ATOM 711 C VAL A 52 -4.412 12.129 -20.074 1.00 0.00 C ATOM 712 O VAL A 52 -4.249 11.437 -21.076 1.00 0.00 O ATOM 713 CB VAL A 52 -3.543 12.691 -17.682 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.200 11.456 -17.049 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.270 13.008 -16.883 1.00 0.00 C ATOM 0 H VAL A 52 -1.537 13.338 -20.016 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.587 11.562 -19.159 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.233 13.534 -17.646 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.418 11.657 -16.000 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.127 11.227 -17.575 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.522 10.606 -17.122 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.528 13.170 -15.836 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.574 12.172 -16.960 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.803 13.907 -17.285 1.00 0.00 H new ATOM 725 N ASP A 53 -5.599 12.635 -19.716 1.00 0.00 N ATOM 726 CA ASP A 53 -6.859 12.463 -20.425 1.00 0.00 C ATOM 727 C ASP A 53 -7.852 13.483 -19.871 1.00 0.00 C ATOM 728 O ASP A 53 -8.378 14.309 -20.614 1.00 0.00 O ATOM 729 CB ASP A 53 -7.419 11.043 -20.230 1.00 0.00 C ATOM 730 CG ASP A 53 -6.794 10.010 -21.168 1.00 0.00 C ATOM 731 OD1 ASP A 53 -6.931 10.200 -22.396 1.00 0.00 O ATOM 732 OD2 ASP A 53 -6.199 9.046 -20.640 1.00 0.00 O ATOM 0 H ASP A 53 -5.704 13.205 -18.877 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.697 12.613 -21.492 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.253 10.733 -19.198 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.497 11.061 -20.388 1.00 0.00 H new ATOM 737 N GLY A 54 -8.094 13.415 -18.556 1.00 0.00 N ATOM 738 CA GLY A 54 -9.019 14.280 -17.845 1.00 0.00 C ATOM 739 C GLY A 54 -10.450 13.741 -17.954 1.00 0.00 C ATOM 740 O GLY A 54 -10.652 12.661 -18.510 1.00 0.00 O ATOM 0 H GLY A 54 -7.635 12.736 -17.949 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.729 14.349 -16.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.972 15.289 -18.256 1.00 0.00 H new ATOM 744 N PRO A 55 -11.460 14.458 -17.428 1.00 0.00 N ATOM 745 CA PRO A 55 -11.369 15.734 -16.728 1.00 0.00 C ATOM 746 C PRO A 55 -10.468 15.689 -15.492 1.00 0.00 C ATOM 747 O PRO A 55 -10.307 14.642 -14.866 1.00 0.00 O ATOM 748 CB PRO A 55 -12.803 16.091 -16.317 1.00 0.00 C ATOM 749 CG PRO A 55 -13.670 15.292 -17.285 1.00 0.00 C ATOM 750 CD PRO A 55 -12.845 14.028 -17.509 1.00 0.00 C ATOM 0 HA PRO A 55 -10.918 16.476 -17.386 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.002 15.816 -15.281 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.989 17.161 -16.404 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.649 15.067 -16.861 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.843 15.833 -18.215 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.068 13.273 -16.755 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.063 13.582 -18.480 1.00 0.00 H new ATOM 758 N TYR A 56 -9.873 16.836 -15.156 1.00 0.00 N ATOM 759 CA TYR A 56 -8.974 16.997 -14.032 1.00 0.00 C ATOM 760 C TYR A 56 -9.140 18.383 -13.436 1.00 0.00 C ATOM 761 O TYR A 56 -9.627 19.302 -14.097 1.00 0.00 O ATOM 762 CB TYR A 56 -7.564 16.696 -14.554 1.00 0.00 C ATOM 763 CG TYR A 56 -6.921 17.739 -15.453 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.387 17.946 -16.767 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.837 18.496 -14.974 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.774 18.904 -17.590 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.222 19.452 -15.800 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.689 19.658 -17.108 1.00 0.00 C ATOM 769 OH TYR A 56 -5.084 20.581 -17.909 1.00 0.00 O ATOM 0 H TYR A 56 -10.014 17.699 -15.681 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.189 16.311 -13.212 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.911 16.541 -13.695 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.600 15.754 -15.101 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.218 17.366 -17.142 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.476 18.342 -13.968 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.136 19.062 -18.595 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.389 20.029 -15.428 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.354 21.012 -17.418 1.00 0.00 H new ATOM 779 N GLN A 57 -8.711 18.505 -12.177 1.00 0.00 N ATOM 780 CA GLN A 57 -8.862 19.712 -11.394 1.00 0.00 C ATOM 781 C GLN A 57 -7.605 20.232 -10.719 1.00 0.00 C ATOM 782 O GLN A 57 -6.627 19.512 -10.535 1.00 0.00 O ATOM 783 CB GLN A 57 -9.871 19.399 -10.276 1.00 0.00 C ATOM 784 CG GLN A 57 -10.732 18.144 -10.484 1.00 0.00 C ATOM 785 CD GLN A 57 -11.649 18.189 -11.706 1.00 0.00 C ATOM 786 OE1 GLN A 57 -11.774 17.202 -12.425 1.00 0.00 O ATOM 787 NE2 GLN A 57 -12.303 19.324 -11.945 1.00 0.00 N ATOM 0 H GLN A 57 -8.243 17.750 -11.675 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.170 20.487 -12.096 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.324 19.290 -9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.534 20.256 -10.161 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.074 17.280 -10.573 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.343 17.989 -9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.176 20.126 -11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.931 19.392 -12.746 1.00 0.00 H new ATOM 796 N GLU A 58 -7.687 21.512 -10.344 1.00 0.00 N ATOM 797 CA GLU A 58 -6.646 22.256 -9.648 1.00 0.00 C ATOM 798 C GLU A 58 -6.822 22.062 -8.141 1.00 0.00 C ATOM 799 O GLU A 58 -7.911 21.728 -7.692 1.00 0.00 O ATOM 800 CB GLU A 58 -6.829 23.748 -9.971 1.00 0.00 C ATOM 801 CG GLU A 58 -6.221 24.153 -11.321 1.00 0.00 C ATOM 802 CD GLU A 58 -4.745 24.556 -11.258 1.00 0.00 C ATOM 803 OE1 GLU A 58 -4.155 24.492 -10.158 1.00 0.00 O ATOM 804 OE2 GLU A 58 -4.228 24.935 -12.331 1.00 0.00 O ATOM 0 H GLU A 58 -8.517 22.077 -10.527 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.660 21.910 -9.957 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.893 23.985 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.372 24.343 -9.181 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.328 23.321 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.795 24.986 -11.728 1.00 0.00 H new ATOM 811 N PHE A 59 -5.759 22.250 -7.351 1.00 0.00 N ATOM 812 CA PHE A 59 -5.807 22.155 -5.898 1.00 0.00 C ATOM 813 C PHE A 59 -4.586 22.899 -5.364 1.00 0.00 C ATOM 814 O PHE A 59 -3.466 22.441 -5.549 1.00 0.00 O ATOM 815 CB PHE A 59 -5.900 20.712 -5.415 1.00 0.00 C ATOM 816 CG PHE A 59 -6.238 20.614 -3.943 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.340 21.318 -3.415 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.463 19.806 -3.095 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.649 21.214 -2.051 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.800 19.705 -1.736 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.888 20.406 -1.212 1.00 0.00 C ATOM 0 H PHE A 59 -4.832 22.475 -7.713 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.714 22.618 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.659 20.187 -5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.951 20.208 -5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.946 21.937 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.613 19.266 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.485 21.766 -1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.209 19.076 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.137 20.322 -0.164 1.00 0.00 H new ATOM 831 N PRO A 60 -4.742 24.030 -4.675 1.00 0.00 N ATOM 832 CA PRO A 60 -3.610 24.808 -4.245 1.00 0.00 C ATOM 833 C PRO A 60 -2.938 24.325 -2.955 1.00 0.00 C ATOM 834 O PRO A 60 -3.624 23.958 -2.000 1.00 0.00 O ATOM 835 CB PRO A 60 -4.186 26.206 -4.206 1.00 0.00 C ATOM 836 CG PRO A 60 -5.537 25.957 -3.540 1.00 0.00 C ATOM 837 CD PRO A 60 -5.972 24.653 -4.225 1.00 0.00 C ATOM 0 HA PRO A 60 -2.753 24.727 -4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.564 26.891 -3.629 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.292 26.634 -5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.448 25.844 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.240 26.770 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.511 24.006 -3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.641 24.852 -5.062 1.00 0.00 H new ATOM 845 N ILE A 61 -1.592 24.311 -2.939 1.00 0.00 N ATOM 846 CA ILE A 61 -0.782 23.902 -1.800 1.00 0.00 C ATOM 847 C ILE A 61 -0.053 25.065 -1.172 1.00 0.00 C ATOM 848 O ILE A 61 -0.196 26.236 -1.520 1.00 0.00 O ATOM 849 CB ILE A 61 0.194 22.772 -2.172 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.801 21.838 -1.100 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.216 23.185 -3.229 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.979 20.406 -1.604 1.00 0.00 C ATOM 0 H ILE A 61 -1.033 24.593 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.472 23.512 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.541 22.084 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.767 22.232 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.157 21.833 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.874 22.344 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.697 23.485 -4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.807 24.021 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.409 19.792 -0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.010 19.999 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.646 20.404 -2.466 1.00 0.00 H new ATOM 864 N LYS A 62 0.724 24.608 -0.211 1.00 0.00 N ATOM 865 CA LYS A 62 1.628 25.352 0.653 1.00 0.00 C ATOM 866 C LYS A 62 2.665 24.426 1.288 1.00 0.00 C ATOM 867 O LYS A 62 2.405 23.242 1.498 1.00 0.00 O ATOM 868 CB LYS A 62 0.867 26.171 1.709 1.00 0.00 C ATOM 869 CG LYS A 62 0.948 27.683 1.438 1.00 0.00 C ATOM 870 CD LYS A 62 2.355 28.305 1.517 1.00 0.00 C ATOM 871 CE LYS A 62 3.013 28.193 2.899 1.00 0.00 C ATOM 872 NZ LYS A 62 2.248 28.906 3.936 1.00 0.00 N ATOM 0 H LYS A 62 0.742 23.612 0.008 1.00 0.00 H new ATOM 0 HA LYS A 62 2.164 26.068 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.178 25.861 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.276 25.958 2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.541 27.877 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.304 28.196 2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.996 27.821 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.291 29.358 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.102 27.142 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.024 28.597 2.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.762 28.862 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.126 29.900 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.315 28.460 4.047 1.00 0.00 H new ATOM 886 N SER A 63 3.841 24.988 1.601 1.00 0.00 N ATOM 887 CA SER A 63 4.960 24.292 2.222 1.00 0.00 C ATOM 888 C SER A 63 4.755 24.279 3.738 1.00 0.00 C ATOM 889 O SER A 63 5.568 24.804 4.498 1.00 0.00 O ATOM 890 CB SER A 63 6.268 24.975 1.804 1.00 0.00 C ATOM 891 OG SER A 63 7.383 24.248 2.273 1.00 0.00 O ATOM 0 H SER A 63 4.039 25.972 1.420 1.00 0.00 H new ATOM 0 HA SER A 63 5.016 23.255 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.311 25.055 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.297 25.990 2.200 1.00 0.00 H new ATOM 0 HG SER A 63 7.725 23.675 1.555 1.00 0.00 H new ATOM 897 N GLY A 64 3.641 23.676 4.162 1.00 0.00 N ATOM 898 CA GLY A 64 3.246 23.562 5.554 1.00 0.00 C ATOM 899 C GLY A 64 2.109 22.552 5.696 1.00 0.00 C ATOM 900 O GLY A 64 2.184 21.656 6.534 1.00 0.00 O ATOM 0 H GLY A 64 2.975 23.244 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.098 23.249 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.928 24.534 5.931 1.00 0.00 H new ATOM 904 N GLY A 65 1.054 22.702 4.882 1.00 0.00 N ATOM 905 CA GLY A 65 -0.091 21.808 4.901 1.00 0.00 C ATOM 906 C GLY A 65 -1.074 22.124 3.776 1.00 0.00 C ATOM 907 O GLY A 65 -0.930 23.124 3.071 1.00 0.00 O ATOM 0 H GLY A 65 0.980 23.451 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.251 20.777 4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.600 21.889 5.862 1.00 0.00 H new ATOM 911 N VAL A 66 -2.075 21.248 3.622 1.00 0.00 N ATOM 912 CA VAL A 66 -3.127 21.370 2.624 1.00 0.00 C ATOM 913 C VAL A 66 -4.073 22.510 3.012 1.00 0.00 C ATOM 914 O VAL A 66 -4.685 22.458 4.076 1.00 0.00 O ATOM 915 CB VAL A 66 -3.848 20.017 2.444 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.486 19.433 3.713 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.934 20.140 1.376 1.00 0.00 C ATOM 0 H VAL A 66 -2.171 20.417 4.206 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.700 21.625 1.654 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.058 19.326 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.965 18.483 3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.715 19.272 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.231 20.129 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.437 19.180 1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.660 20.894 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.481 20.433 0.429 1.00 0.00 H new ATOM 927 N TYR A 67 -4.176 23.533 2.148 1.00 0.00 N ATOM 928 CA TYR A 67 -5.019 24.716 2.306 1.00 0.00 C ATOM 929 C TYR A 67 -4.635 25.557 3.533 1.00 0.00 C ATOM 930 O TYR A 67 -4.712 25.092 4.669 1.00 0.00 O ATOM 931 CB TYR A 67 -6.512 24.341 2.264 1.00 0.00 C ATOM 932 CG TYR A 67 -7.446 25.348 2.915 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.394 26.707 2.553 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.360 24.923 3.898 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.246 27.636 3.175 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.221 25.850 4.511 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.157 27.210 4.156 1.00 0.00 C ATOM 938 OH TYR A 67 -9.986 28.114 4.756 1.00 0.00 O ATOM 0 H TYR A 67 -3.644 23.552 1.278 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.835 25.367 1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.810 24.212 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.643 23.377 2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.698 27.037 1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.400 23.882 4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.200 28.679 2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.931 25.518 5.254 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.553 27.654 5.409 1.00 0.00 H new ATOM 948 N THR A 68 -4.232 26.811 3.288 1.00 0.00 N ATOM 949 CA THR A 68 -3.838 27.775 4.307 1.00 0.00 C ATOM 950 C THR A 68 -4.634 29.069 4.131 1.00 0.00 C ATOM 951 O THR A 68 -5.079 29.387 3.028 1.00 0.00 O ATOM 952 CB THR A 68 -2.333 28.060 4.202 1.00 0.00 C ATOM 953 OG1 THR A 68 -2.035 28.594 2.929 1.00 0.00 O ATOM 954 CG2 THR A 68 -1.498 26.799 4.451 1.00 0.00 C ATOM 0 H THR A 68 -4.172 27.188 2.342 1.00 0.00 H new ATOM 0 HA THR A 68 -4.050 27.362 5.293 1.00 0.00 H new ATOM 0 HB THR A 68 -2.075 28.785 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.373 29.311 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.439 27.042 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.705 26.417 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.755 26.040 3.712 1.00 0.00 H new ATOM 962 N GLY A 69 -4.800 29.814 5.232 1.00 0.00 N ATOM 963 CA GLY A 69 -5.511 31.082 5.254 1.00 0.00 C ATOM 964 C GLY A 69 -4.557 32.203 4.852 1.00 0.00 C ATOM 965 O GLY A 69 -4.147 33.000 5.692 1.00 0.00 O ATOM 0 H GLY A 69 -4.434 29.540 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.359 31.048 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.912 31.270 6.250 1.00 0.00 H new ATOM 969 N GLY A 70 -4.208 32.250 3.560 1.00 0.00 N ATOM 970 CA GLY A 70 -3.298 33.236 3.001 1.00 0.00 C ATOM 971 C GLY A 70 -3.461 33.329 1.486 1.00 0.00 C ATOM 972 O GLY A 70 -3.573 34.431 0.952 1.00 0.00 O ATOM 0 H GLY A 70 -4.561 31.588 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.489 34.210 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.270 32.968 3.245 1.00 0.00 H new ATOM 976 N SER A 71 -3.468 32.172 0.807 1.00 0.00 N ATOM 977 CA SER A 71 -3.613 32.043 -0.639 1.00 0.00 C ATOM 978 C SER A 71 -2.469 32.763 -1.365 1.00 0.00 C ATOM 979 O SER A 71 -2.664 33.885 -1.830 1.00 0.00 O ATOM 980 CB SER A 71 -4.998 32.534 -1.094 1.00 0.00 C ATOM 981 OG SER A 71 -6.013 31.821 -0.420 1.00 0.00 O ATOM 0 H SER A 71 -3.369 31.270 1.274 1.00 0.00 H new ATOM 0 HA SER A 71 -3.546 30.988 -0.906 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.098 33.601 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.104 32.401 -2.171 1.00 0.00 H new ATOM 0 HG SER A 71 -6.890 32.143 -0.716 1.00 0.00 H new ATOM 987 N PRO A 72 -1.280 32.138 -1.465 1.00 0.00 N ATOM 988 CA PRO A 72 -0.106 32.700 -2.127 1.00 0.00 C ATOM 989 C PRO A 72 -0.430 33.214 -3.530 1.00 0.00 C ATOM 990 O PRO A 72 -0.182 34.377 -3.838 1.00 0.00 O ATOM 991 CB PRO A 72 0.937 31.576 -2.156 1.00 0.00 C ATOM 992 CG PRO A 72 0.557 30.726 -0.948 1.00 0.00 C ATOM 993 CD PRO A 72 -0.967 30.824 -0.927 1.00 0.00 C ATOM 0 HA PRO A 72 0.268 33.571 -1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.889 31.005 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.952 31.965 -2.073 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.894 29.695 -1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.999 31.110 -0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.419 30.036 -1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.353 30.713 0.086 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.976 32.327 -4.369 1.00 0.00 N ATOM 1002 CA GLY A 73 -1.380 32.612 -5.732 1.00 0.00 C ATOM 1003 C GLY A 73 -0.317 32.137 -6.713 1.00 0.00 C ATOM 1004 O GLY A 73 -0.050 32.824 -7.699 1.00 0.00 O ATOM 0 H GLY A 73 -1.151 31.359 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.328 32.119 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.543 33.683 -5.853 1.00 0.00 H new ATOM 1008 N ALA A 74 0.290 30.970 -6.445 1.00 0.00 N ATOM 1009 CA ALA A 74 1.307 30.415 -7.316 1.00 0.00 C ATOM 1010 C ALA A 74 1.408 28.900 -7.205 1.00 0.00 C ATOM 1011 O ALA A 74 0.982 28.227 -8.134 1.00 0.00 O ATOM 1012 CB ALA A 74 2.660 31.091 -7.098 1.00 0.00 C ATOM 0 H ALA A 74 0.084 30.399 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 74 0.994 30.628 -8.338 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.399 30.650 -7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.572 32.157 -7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.976 30.948 -6.065 1.00 0.00 H new ATOM 1018 N ASP A 75 1.963 28.357 -6.111 1.00 0.00 N ATOM 1019 CA ASP A 75 2.139 26.921 -5.917 1.00 0.00 C ATOM 1020 C ASP A 75 0.834 26.142 -5.757 1.00 0.00 C ATOM 1021 O ASP A 75 0.086 26.348 -4.800 1.00 0.00 O ATOM 1022 CB ASP A 75 3.110 26.663 -4.765 1.00 0.00 C ATOM 1023 CG ASP A 75 2.701 27.299 -3.436 1.00 0.00 C ATOM 1024 OD1 ASP A 75 2.658 28.547 -3.374 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.448 26.519 -2.494 1.00 0.00 O ATOM 0 H ASP A 75 2.305 28.916 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 75 2.570 26.533 -6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.208 25.587 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.094 27.038 -5.045 1.00 0.00 H new ATOM 1030 N ARG A 76 0.584 25.228 -6.708 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.614 24.410 -6.730 1.00 0.00 C ATOM 1032 C ARG A 76 -0.390 23.010 -7.299 1.00 0.00 C ATOM 1033 O ARG A 76 0.185 22.865 -8.378 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.688 25.076 -7.605 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.022 26.528 -7.242 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.227 26.982 -8.071 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.765 28.268 -7.614 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.233 29.483 -7.828 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -2.040 29.639 -8.419 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.922 30.563 -7.437 1.00 0.00 N ATOM 0 H ARG A 76 1.220 25.043 -7.484 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.922 24.319 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.357 25.045 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.601 24.484 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.244 26.609 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.165 27.172 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.935 27.065 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.008 26.224 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.633 28.236 -7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.509 28.822 -8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.663 30.575 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.831 30.453 -6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.538 31.496 -7.589 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.841 21.984 -6.560 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.775 20.598 -7.006 1.00 0.00 C ATOM 1056 C VAL A 77 -2.021 20.441 -7.877 1.00 0.00 C ATOM 1057 O VAL A 77 -2.992 21.174 -7.707 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.713 19.579 -5.857 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.541 19.809 -5.014 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.948 19.580 -4.952 1.00 0.00 C ATOM 0 H VAL A 77 -1.260 22.100 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 77 0.147 20.390 -7.549 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.681 18.599 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.573 19.081 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.426 19.695 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.519 20.816 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.825 18.833 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.067 20.565 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.832 19.342 -5.543 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.037 19.505 -8.821 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.185 19.359 -9.701 1.00 0.00 C ATOM 1072 C VAL A 78 -3.501 17.866 -9.829 1.00 0.00 C ATOM 1073 O VAL A 78 -2.636 17.078 -10.212 1.00 0.00 O ATOM 1074 CB VAL A 78 -2.854 20.149 -10.985 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -3.907 19.976 -12.077 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.700 21.661 -10.656 1.00 0.00 C ATOM 0 H VAL A 78 -1.278 18.846 -8.993 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.120 19.784 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.917 19.745 -11.367 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.619 20.555 -12.955 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.983 18.922 -12.346 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.872 20.327 -11.711 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.467 22.210 -11.568 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.631 22.038 -10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.894 21.796 -9.935 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.749 17.497 -9.487 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.266 16.132 -9.489 1.00 0.00 C ATOM 1088 C ILE A 79 -6.208 15.858 -10.662 1.00 0.00 C ATOM 1089 O ILE A 79 -6.533 16.764 -11.421 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.972 15.827 -8.145 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.438 16.295 -8.017 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.192 16.384 -6.948 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.190 15.373 -7.050 1.00 0.00 C ATOM 0 H ILE A 79 -5.448 18.178 -9.190 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.411 15.466 -9.611 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.991 14.737 -8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.472 17.323 -7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.920 16.285 -8.994 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.723 16.147 -6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.199 15.935 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.099 17.466 -7.046 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.224 15.705 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.168 14.352 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.713 15.406 -6.071 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.642 14.593 -10.774 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.561 14.056 -11.769 1.00 0.00 C ATOM 1107 C ASN A 80 -8.941 13.910 -11.122 1.00 0.00 C ATOM 1108 O ASN A 80 -9.057 13.952 -9.897 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.033 12.713 -12.281 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.849 12.162 -13.448 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.641 11.236 -13.272 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.656 12.729 -14.642 1.00 0.00 N ATOM 0 H ASN A 80 -6.333 13.873 -10.121 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.643 14.726 -12.625 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.995 12.831 -12.593 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.040 11.990 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.176 12.397 -15.454 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.989 13.494 -14.741 1.00 0.00 H new ATOM 1119 N THR A 81 -9.987 13.727 -11.937 1.00 0.00 N ATOM 1120 CA THR A 81 -11.356 13.612 -11.452 1.00 0.00 C ATOM 1121 C THR A 81 -11.726 12.398 -10.633 1.00 0.00 C ATOM 1122 O THR A 81 -12.602 12.505 -9.772 1.00 0.00 O ATOM 1123 CB THR A 81 -12.379 13.900 -12.556 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.672 14.052 -12.021 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.402 12.741 -13.547 1.00 0.00 C ATOM 0 H THR A 81 -9.902 13.655 -12.951 1.00 0.00 H new ATOM 0 HA THR A 81 -11.396 14.401 -10.701 1.00 0.00 H new ATOM 0 HB THR A 81 -12.086 14.825 -13.052 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.617 14.511 -11.157 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.130 12.947 -14.331 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.414 12.622 -13.991 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.679 11.824 -13.028 1.00 0.00 H new ATOM 1133 N ASN A 82 -11.081 11.260 -10.862 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.425 10.105 -10.072 1.00 0.00 C ATOM 1135 C ASN A 82 -10.721 10.279 -8.730 1.00 0.00 C ATOM 1136 O ASN A 82 -11.347 10.582 -7.716 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.000 8.832 -10.821 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.190 7.584 -9.963 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -10.222 7.023 -9.455 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -12.442 7.153 -9.796 1.00 0.00 N ATOM 0 H ASN A 82 -10.349 11.122 -11.559 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.497 10.009 -9.901 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.583 8.737 -11.737 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.954 8.915 -11.116 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.625 6.326 -9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.216 7.650 -10.237 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.406 10.087 -8.772 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.505 10.142 -7.625 1.00 0.00 C ATOM 1149 C CYS A 83 -7.014 10.251 -7.968 1.00 0.00 C ATOM 1150 O CYS A 83 -6.193 10.246 -7.051 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.757 8.950 -6.690 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.427 9.265 -4.932 1.00 0.00 S ATOM 0 H CYS A 83 -8.918 9.880 -9.644 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.745 11.078 -7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.795 8.637 -6.798 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -8.137 8.115 -7.016 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.633 10.360 -9.248 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.230 10.371 -9.646 1.00 0.00 C ATOM 1159 C GLU A 84 -4.535 11.712 -9.429 1.00 0.00 C ATOM 1160 O GLU A 84 -5.178 12.735 -9.226 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.141 9.949 -11.125 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.959 9.019 -11.417 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.897 8.680 -12.904 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.626 7.748 -13.309 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.125 9.363 -13.613 1.00 0.00 O ATOM 0 H GLU A 84 -7.287 10.442 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.701 9.667 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.067 9.450 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.056 10.841 -11.746 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.029 9.496 -11.108 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.057 8.104 -10.833 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.200 11.673 -9.462 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.298 12.801 -9.315 1.00 0.00 C ATOM 1174 C TYR A 85 -1.790 13.083 -10.731 1.00 0.00 C ATOM 1175 O TYR A 85 -1.151 12.227 -11.341 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.215 12.430 -8.278 1.00 0.00 C ATOM 1177 CG TYR A 85 0.159 13.070 -8.435 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.077 12.505 -9.344 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.535 14.209 -7.692 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.351 13.071 -9.519 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.806 14.773 -7.879 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.715 14.209 -8.787 1.00 0.00 C ATOM 1183 OH TYR A 85 3.951 14.763 -8.947 1.00 0.00 O ATOM 0 H TYR A 85 -2.697 10.796 -9.601 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.749 13.714 -8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.594 12.687 -7.289 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.086 11.348 -8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.798 11.629 -9.911 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.153 14.645 -6.982 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.048 12.630 -10.216 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.088 15.651 -7.318 1.00 0.00 H new ATOM 0 HH TYR A 85 4.373 14.395 -9.751 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.085 14.276 -11.266 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.681 14.667 -12.610 1.00 0.00 C ATOM 1195 C ALA A 86 -0.256 15.224 -12.592 1.00 0.00 C ATOM 1196 O ALA A 86 0.561 14.857 -13.434 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.682 15.669 -13.191 1.00 0.00 C ATOM 0 H ALA A 86 -2.613 14.995 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.681 13.791 -13.258 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.370 15.954 -14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.671 15.212 -13.234 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.719 16.555 -12.557 1.00 0.00 H new ATOM 1203 N GLY A 87 0.034 16.106 -11.629 1.00 0.00 N ATOM 1204 CA GLY A 87 1.344 16.716 -11.468 1.00 0.00 C ATOM 1205 C GLY A 87 1.255 17.914 -10.528 1.00 0.00 C ATOM 1206 O GLY A 87 0.308 18.026 -9.753 1.00 0.00 O ATOM 0 H GLY A 87 -0.647 16.415 -10.935 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.048 15.984 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.727 17.033 -12.438 1.00 0.00 H new ATOM 1210 N ALA A 88 2.256 18.802 -10.595 1.00 0.00 N ATOM 1211 CA ALA A 88 2.321 20.013 -9.788 1.00 0.00 C ATOM 1212 C ALA A 88 2.953 21.139 -10.602 1.00 0.00 C ATOM 1213 O ALA A 88 3.854 20.894 -11.405 1.00 0.00 O ATOM 1214 CB ALA A 88 3.092 19.746 -8.496 1.00 0.00 C ATOM 0 H ALA A 88 3.052 18.691 -11.223 1.00 0.00 H new ATOM 0 HA ALA A 88 1.314 20.322 -9.509 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.133 20.659 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.588 18.965 -7.927 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.105 19.424 -8.737 1.00 0.00 H new ATOM 1220 N ILE A 89 2.476 22.372 -10.377 1.00 0.00 N ATOM 1221 CA ILE A 89 2.916 23.577 -11.071 1.00 0.00 C ATOM 1222 C ILE A 89 2.952 24.790 -10.129 1.00 0.00 C ATOM 1223 O ILE A 89 2.384 24.728 -9.040 1.00 0.00 O ATOM 1224 CB ILE A 89 1.968 23.819 -12.264 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.496 23.915 -11.808 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.137 22.724 -13.321 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.468 24.225 -12.957 1.00 0.00 C ATOM 0 H ILE A 89 1.751 22.557 -9.684 1.00 0.00 H new ATOM 0 HA ILE A 89 3.935 23.440 -11.432 1.00 0.00 H new ATOM 0 HB ILE A 89 2.238 24.776 -12.711 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.204 22.975 -11.340 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.407 24.691 -11.047 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.459 22.914 -14.153 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.165 22.723 -13.683 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.907 21.754 -12.880 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.487 24.280 -12.573 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.199 25.179 -13.410 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.405 23.437 -13.707 1.00 0.00 H new ATOM 1239 N THR A 90 3.621 25.890 -10.529 1.00 0.00 N ATOM 1240 CA THR A 90 3.685 27.100 -9.702 1.00 0.00 C ATOM 1241 C THR A 90 3.946 28.415 -10.451 1.00 0.00 C ATOM 1242 O THR A 90 4.647 28.409 -11.461 1.00 0.00 O ATOM 1243 CB THR A 90 4.806 26.947 -8.652 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.598 27.841 -7.581 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.198 27.239 -9.237 1.00 0.00 C ATOM 0 H THR A 90 4.120 25.960 -11.416 1.00 0.00 H new ATOM 0 HA THR A 90 2.688 27.179 -9.268 1.00 0.00 H new ATOM 0 HB THR A 90 4.771 25.911 -8.314 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.403 28.384 -7.447 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.952 27.118 -8.459 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.403 26.545 -10.052 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.227 28.261 -9.614 1.00 0.00 H new ATOM 1253 N HIS A 91 3.371 29.539 -9.974 1.00 0.00 N ATOM 1254 CA HIS A 91 3.676 30.857 -10.564 1.00 0.00 C ATOM 1255 C HIS A 91 5.030 31.412 -10.062 1.00 0.00 C ATOM 1256 O HIS A 91 5.553 32.341 -10.674 1.00 0.00 O ATOM 1257 CB HIS A 91 2.643 31.990 -10.347 1.00 0.00 C ATOM 1258 CG HIS A 91 1.358 31.902 -11.103 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.520 32.992 -11.283 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.749 30.862 -11.737 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.534 32.564 -11.997 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.445 31.274 -12.319 1.00 0.00 N ATOM 0 H HIS A 91 2.708 29.561 -9.199 1.00 0.00 H new ATOM 0 HA HIS A 91 3.674 30.614 -11.627 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.406 32.031 -9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.121 32.935 -10.604 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.139 29.856 -11.782 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.363 33.196 -12.279 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.101 30.717 -12.866 1.00 0.00 H new ATOM 1270 N THR A 92 5.601 30.860 -8.976 1.00 0.00 N ATOM 1271 CA THR A 92 6.854 31.270 -8.338 1.00 0.00 C ATOM 1272 C THR A 92 7.965 31.657 -9.311 1.00 0.00 C ATOM 1273 O THR A 92 8.498 32.763 -9.232 1.00 0.00 O ATOM 1274 CB THR A 92 7.320 30.189 -7.344 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.269 29.880 -6.453 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.538 30.628 -6.522 1.00 0.00 C ATOM 0 H THR A 92 5.170 30.070 -8.496 1.00 0.00 H new ATOM 0 HA THR A 92 6.633 32.190 -7.797 1.00 0.00 H new ATOM 0 HB THR A 92 7.606 29.319 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.566 29.191 -5.823 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.823 29.828 -5.839 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.370 30.846 -7.192 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.288 31.522 -5.950 1.00 0.00 H new ATOM 1284 N GLY A 93 8.294 30.744 -10.225 1.00 0.00 N ATOM 1285 CA GLY A 93 9.339 30.916 -11.224 1.00 0.00 C ATOM 1286 C GLY A 93 8.786 31.069 -12.639 1.00 0.00 C ATOM 1287 O GLY A 93 9.473 30.710 -13.595 1.00 0.00 O ATOM 0 H GLY A 93 7.825 29.840 -10.289 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.933 31.795 -10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.010 30.058 -11.192 1.00 0.00 H new ATOM 1291 N ALA A 94 7.561 31.596 -12.780 1.00 0.00 N ATOM 1292 CA ALA A 94 6.910 31.818 -14.066 1.00 0.00 C ATOM 1293 C ALA A 94 7.050 33.275 -14.517 1.00 0.00 C ATOM 1294 O ALA A 94 7.601 34.107 -13.798 1.00 0.00 O ATOM 1295 CB ALA A 94 5.439 31.415 -13.963 1.00 0.00 C ATOM 0 H ALA A 94 6.990 31.883 -11.985 1.00 0.00 H new ATOM 0 HA ALA A 94 7.399 31.201 -14.820 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.949 31.579 -14.922 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.368 30.361 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.950 32.017 -13.197 1.00 0.00 H new ATOM 1301 N SER A 95 6.539 33.575 -15.720 1.00 0.00 N ATOM 1302 CA SER A 95 6.590 34.900 -16.321 1.00 0.00 C ATOM 1303 C SER A 95 5.712 35.894 -15.556 1.00 0.00 C ATOM 1304 O SER A 95 6.166 36.989 -15.232 1.00 0.00 O ATOM 1305 CB SER A 95 6.201 34.815 -17.803 1.00 0.00 C ATOM 1306 OG SER A 95 4.887 34.326 -17.964 1.00 0.00 O ATOM 0 H SER A 95 6.071 32.885 -16.307 1.00 0.00 H new ATOM 0 HA SER A 95 7.612 35.275 -16.258 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.282 35.802 -18.259 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.900 34.163 -18.327 1.00 0.00 H new ATOM 0 HG SER A 95 4.723 34.134 -18.911 1.00 0.00 H new ATOM 1312 N GLY A 96 4.461 35.514 -15.264 1.00 0.00 N ATOM 1313 CA GLY A 96 3.529 36.361 -14.538 1.00 0.00 C ATOM 1314 C GLY A 96 2.167 35.686 -14.430 1.00 0.00 C ATOM 1315 O GLY A 96 1.770 35.267 -13.342 1.00 0.00 O ATOM 0 H GLY A 96 4.074 34.608 -15.529 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.918 36.569 -13.541 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.427 37.319 -15.047 1.00 0.00 H new ATOM 1319 N ASN A 97 1.466 35.576 -15.566 1.00 0.00 N ATOM 1320 CA ASN A 97 0.139 34.979 -15.669 1.00 0.00 C ATOM 1321 C ASN A 97 0.254 33.562 -16.246 1.00 0.00 C ATOM 1322 O ASN A 97 -0.658 33.079 -16.912 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.748 35.902 -16.522 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.242 35.679 -16.278 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.816 36.278 -15.369 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -2.881 34.830 -17.087 1.00 0.00 N ATOM 0 H ASN A 97 1.822 35.911 -16.461 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.326 34.881 -14.688 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.500 36.941 -16.303 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.528 35.737 -17.577 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.879 34.660 -16.962 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.371 34.352 -17.830 1.00 0.00 H new ATOM 1333 N ASN A 98 1.392 32.902 -15.994 1.00 0.00 N ATOM 1334 CA ASN A 98 1.682 31.547 -16.440 1.00 0.00 C ATOM 1335 C ASN A 98 2.218 30.726 -15.270 1.00 0.00 C ATOM 1336 O ASN A 98 2.403 31.239 -14.168 1.00 0.00 O ATOM 1337 CB ASN A 98 2.662 31.583 -17.621 1.00 0.00 C ATOM 1338 CG ASN A 98 2.030 32.238 -18.848 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.358 31.570 -19.632 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.238 33.546 -19.019 1.00 0.00 N ATOM 0 H ASN A 98 2.155 33.315 -15.457 1.00 0.00 H new ATOM 0 HA ASN A 98 0.769 31.066 -16.791 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.559 32.132 -17.335 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.974 30.568 -17.868 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.833 34.026 -19.823 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.802 34.065 -18.346 1.00 0.00 H new ATOM 1347 N PHE A 99 2.463 29.441 -15.537 1.00 0.00 N ATOM 1348 CA PHE A 99 2.950 28.448 -14.596 1.00 0.00 C ATOM 1349 C PHE A 99 4.187 27.736 -15.148 1.00 0.00 C ATOM 1350 O PHE A 99 4.477 27.817 -16.342 1.00 0.00 O ATOM 1351 CB PHE A 99 1.848 27.382 -14.476 1.00 0.00 C ATOM 1352 CG PHE A 99 0.749 27.685 -13.487 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.933 27.318 -12.148 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.447 28.311 -13.882 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.050 27.588 -11.192 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.440 28.586 -12.923 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.231 28.233 -11.577 1.00 0.00 C ATOM 0 H PHE A 99 2.317 29.051 -16.468 1.00 0.00 H new ATOM 0 HA PHE A 99 3.198 28.930 -13.650 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.398 27.239 -15.458 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.312 26.436 -14.197 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.845 26.821 -11.851 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.603 28.579 -14.916 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.101 27.301 -10.162 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.360 29.067 -13.220 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.985 28.461 -10.838 1.00 0.00 H new ATOM 1367 N VAL A 100 4.911 27.040 -14.260 1.00 0.00 N ATOM 1368 CA VAL A 100 6.090 26.242 -14.586 1.00 0.00 C ATOM 1369 C VAL A 100 5.948 24.901 -13.878 1.00 0.00 C ATOM 1370 O VAL A 100 5.254 24.790 -12.871 1.00 0.00 O ATOM 1371 CB VAL A 100 7.435 26.912 -14.277 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.648 28.106 -15.200 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.607 27.282 -12.805 1.00 0.00 C ATOM 0 H VAL A 100 4.681 27.020 -13.266 1.00 0.00 H new ATOM 0 HA VAL A 100 6.119 26.117 -15.668 1.00 0.00 H new ATOM 0 HB VAL A 100 8.215 26.176 -14.473 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.605 28.575 -14.973 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.646 27.769 -16.237 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.846 28.829 -15.051 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.580 27.751 -12.659 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.821 27.977 -12.510 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.543 26.382 -12.194 1.00 0.00 H new ATOM 1383 N GLY A 101 6.631 23.895 -14.421 1.00 0.00 N ATOM 1384 CA GLY A 101 6.605 22.525 -13.928 1.00 0.00 C ATOM 1385 C GLY A 101 7.490 22.322 -12.701 1.00 0.00 C ATOM 1386 O GLY A 101 8.568 22.907 -12.614 1.00 0.00 O ATOM 0 H GLY A 101 7.232 24.016 -15.236 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.579 22.252 -13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.931 21.852 -14.721 1.00 0.00 H new ATOM 1390 N CYS A 102 7.022 21.494 -11.756 1.00 0.00 N ATOM 1391 CA CYS A 102 7.746 21.167 -10.533 1.00 0.00 C ATOM 1392 C CYS A 102 8.511 19.853 -10.698 1.00 0.00 C ATOM 1393 O CYS A 102 8.458 19.222 -11.752 1.00 0.00 O ATOM 1394 CB CYS A 102 6.776 21.085 -9.346 1.00 0.00 C ATOM 1395 SG CYS A 102 5.627 22.474 -9.158 1.00 0.00 S ATOM 0 H CYS A 102 6.117 21.029 -11.827 1.00 0.00 H new ATOM 0 HA CYS A 102 8.468 21.959 -10.334 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.194 20.169 -9.441 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.361 20.997 -8.430 1.00 0.00 H new ATOM 1400 N SER A 103 9.238 19.445 -9.650 1.00 0.00 N ATOM 1401 CA SER A 103 10.001 18.207 -9.650 1.00 0.00 C ATOM 1402 C SER A 103 9.044 17.014 -9.641 1.00 0.00 C ATOM 1403 O SER A 103 8.012 17.045 -8.969 1.00 0.00 O ATOM 1404 CB SER A 103 10.952 18.180 -8.451 1.00 0.00 C ATOM 1405 OG SER A 103 11.785 17.043 -8.512 1.00 0.00 O ATOM 0 H SER A 103 9.309 19.972 -8.779 1.00 0.00 H new ATOM 0 HA SER A 103 10.607 18.146 -10.554 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.560 19.085 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.379 18.170 -7.524 1.00 0.00 H new ATOM 0 HG SER A 103 12.389 17.039 -7.741 1.00 0.00 H new ATOM 1411 N GLY A 104 9.389 15.966 -10.398 1.00 0.00 N ATOM 1412 CA GLY A 104 8.587 14.759 -10.521 1.00 0.00 C ATOM 1413 C GLY A 104 7.280 15.048 -11.260 1.00 0.00 C ATOM 1414 O GLY A 104 6.213 14.638 -10.808 1.00 0.00 O ATOM 0 H GLY A 104 10.248 15.939 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.151 13.995 -11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.369 14.359 -9.531 1.00 0.00 H new ATOM 1418 N THR A 105 7.375 15.763 -12.390 1.00 0.00 N ATOM 1419 CA THR A 105 6.257 16.149 -13.240 1.00 0.00 C ATOM 1420 C THR A 105 6.642 15.795 -14.677 1.00 0.00 C ATOM 1421 O THR A 105 7.332 16.562 -15.346 1.00 0.00 O ATOM 1422 CB THR A 105 5.959 17.647 -13.053 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.699 17.921 -11.688 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.746 18.093 -13.873 1.00 0.00 C ATOM 0 H THR A 105 8.271 16.098 -12.744 1.00 0.00 H new ATOM 0 HA THR A 105 5.341 15.620 -12.980 1.00 0.00 H new ATOM 0 HB THR A 105 6.836 18.195 -13.397 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.512 18.266 -11.263 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.570 19.157 -13.713 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.936 17.912 -14.931 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.868 17.528 -13.560 1.00 0.00 H new ATOM 1432 N ASN A 106 6.196 14.620 -15.139 1.00 0.00 N ATOM 1433 CA ASN A 106 6.472 14.099 -16.471 1.00 0.00 C ATOM 1434 C ASN A 106 5.315 13.200 -16.910 1.00 0.00 C ATOM 1435 O ASN A 106 4.889 13.351 -18.075 1.00 0.00 O ATOM 1436 CB ASN A 106 7.802 13.329 -16.443 1.00 0.00 C ATOM 1437 CG ASN A 106 8.191 12.741 -17.801 1.00 0.00 C ATOM 1438 OD1 ASN A 106 7.879 13.305 -18.847 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.887 11.600 -17.784 1.00 0.00 N ATOM 1440 OXT ASN A 106 4.982 12.280 -16.130 1.00 0.00 O ATOM 0 H ASN A 106 5.619 13.994 -14.577 1.00 0.00 H new ATOM 0 HA ASN A 106 6.562 14.913 -17.190 1.00 0.00 H new ATOM 0 HB2 ASN A 106 8.594 13.998 -16.104 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.732 12.523 -15.713 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.178 11.167 -18.660 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.127 11.162 -16.895 1.00 0.00 H new TER 1447 ASN A 106