USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 667 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 9 THR OG1 : rot 121:sc= 0.0216 USER MOD Set 1.2: A 90 THR OG1 : rot 18:sc= 1.48 USER MOD Set 1.3: A 92 THR OG1 : rot 96:sc= 0.253 USER MOD Set 2.1: A 85 TYR OH : rot -33:sc= 0.131 USER MOD Set 2.2: A 103 SER OG : rot -9:sc= 0.373 USER MOD Set 3.1: A 27 TYR OH : rot 180:sc=-0.00439 USER MOD Set 3.2: A 57 GLN :FLIP amide:sc= -2.57 F(o=-3.4,f=-2.6) USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0.119 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 5 THR OG1 : rot -19:sc= 0.381 USER MOD Set 5.2: A 10 ASN :FLIP amide:sc= 0.372 F(o=0.094,f=0.75) USER MOD Single : A 2 SER OG : rot -29:sc= 0.0855 USER MOD Single : A 4 THR OG1 : rot 122:sc= 0.249 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00276 USER MOD Single : A 11 TYR OH : rot 69:sc= -0.979 USER MOD Single : A 15 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.4) USER MOD Single : A 21 ASN : amide:sc= -0.0585 K(o=-0.059,f=-1.3) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.091) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.18) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 32 THR OG1 : rot 121:sc= 1.84 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 116:sc= 0.979 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -0.546 K(o=-0.55,f=-2.5) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.158 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0655 K(o=0.066,f=-2.4!) 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 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0864) USER MOD Single : A 63 SER OG : rot -55:sc= 0.269 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.534 K(o=-0.53,f=-2.3!) USER MOD Single : A 81 THR OG1 : rot -53:sc= 0.238 USER MOD Single : A 82 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 91 HIS : no HD1:sc= 0.0761 K(o=0.076,f=-2.6!) USER MOD Single : A 95 SER OG : rot -57:sc= 0.142 USER MOD Single : A 97 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.18) USER MOD Single : A 98 ASN : amide:sc= -0.624 X(o=-0.62,f=-0.18) USER MOD Single : A 105 THR OG1 : rot 104:sc= 0.471 USER MOD Single : A 106 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.110 12.541 -6.140 1.00 0.00 N ATOM 16 CA SER A 2 6.467 12.411 -5.625 1.00 0.00 C ATOM 17 C SER A 2 6.961 13.769 -5.119 1.00 0.00 C ATOM 18 O SER A 2 6.250 14.766 -5.234 1.00 0.00 O ATOM 19 CB SER A 2 7.368 11.866 -6.741 1.00 0.00 C ATOM 20 OG SER A 2 7.378 12.752 -7.841 1.00 0.00 O ATOM 0 HA SER A 2 6.491 11.716 -4.786 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.382 11.731 -6.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.012 10.886 -7.058 1.00 0.00 H new ATOM 0 HG SER A 2 6.528 13.239 -7.877 1.00 0.00 H new ATOM 26 N ALA A 3 8.176 13.797 -4.553 1.00 0.00 N ATOM 27 CA ALA A 3 8.829 14.992 -4.028 1.00 0.00 C ATOM 28 C ALA A 3 8.720 16.157 -5.014 1.00 0.00 C ATOM 29 O ALA A 3 9.073 16.018 -6.185 1.00 0.00 O ATOM 30 CB ALA A 3 10.294 14.683 -3.715 1.00 0.00 C ATOM 0 H ALA A 3 8.745 12.957 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 3 8.324 15.290 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.779 15.577 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.347 13.887 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.801 14.365 -4.626 1.00 0.00 H new ATOM 36 N THR A 4 8.229 17.300 -4.523 1.00 0.00 N ATOM 37 CA THR A 4 8.021 18.516 -5.297 1.00 0.00 C ATOM 38 C THR A 4 9.002 19.593 -4.838 1.00 0.00 C ATOM 39 O THR A 4 9.050 19.929 -3.657 1.00 0.00 O ATOM 40 CB THR A 4 6.580 19.023 -5.074 1.00 0.00 C ATOM 41 OG1 THR A 4 6.215 18.772 -3.738 1.00 0.00 O ATOM 42 CG2 THR A 4 5.509 18.419 -5.991 1.00 0.00 C ATOM 0 H THR A 4 7.959 17.401 -3.545 1.00 0.00 H new ATOM 0 HA THR A 4 8.182 18.301 -6.353 1.00 0.00 H new ATOM 0 HB THR A 4 6.608 20.085 -5.318 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.972 19.615 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.537 18.847 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.752 18.642 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.476 17.339 -5.850 1.00 0.00 H new ATOM 50 N THR A 5 9.801 20.123 -5.768 1.00 0.00 N ATOM 51 CA THR A 5 10.743 21.180 -5.579 1.00 0.00 C ATOM 52 C THR A 5 10.317 22.076 -6.745 1.00 0.00 C ATOM 53 O THR A 5 10.763 21.895 -7.878 1.00 0.00 O ATOM 54 CB THR A 5 12.137 20.564 -5.678 1.00 0.00 C ATOM 55 OG1 THR A 5 12.486 19.968 -4.447 1.00 0.00 O ATOM 56 CG2 THR A 5 13.104 21.668 -6.031 1.00 0.00 C ATOM 0 H THR A 5 9.790 19.788 -6.731 1.00 0.00 H new ATOM 0 HA THR A 5 10.768 21.728 -4.637 1.00 0.00 H new ATOM 0 HB THR A 5 12.164 19.788 -6.443 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.919 20.332 -3.735 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.111 21.258 -6.109 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.818 22.111 -6.985 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.083 22.433 -5.254 1.00 0.00 H new ATOM 64 N CYS A 6 9.431 23.035 -6.458 1.00 0.00 N ATOM 65 CA CYS A 6 8.885 23.939 -7.457 1.00 0.00 C ATOM 66 C CYS A 6 9.556 25.306 -7.357 1.00 0.00 C ATOM 67 O CYS A 6 9.074 26.199 -6.661 1.00 0.00 O ATOM 68 CB CYS A 6 7.355 23.955 -7.334 1.00 0.00 C ATOM 69 SG CYS A 6 6.548 22.337 -7.162 1.00 0.00 S ATOM 0 H CYS A 6 9.074 23.201 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 6 9.105 23.594 -8.467 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.087 24.565 -6.471 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.946 24.450 -8.214 1.00 0.00 H new ATOM 74 N GLY A 7 10.676 25.444 -8.082 1.00 0.00 N ATOM 75 CA GLY A 7 11.497 26.644 -8.128 1.00 0.00 C ATOM 76 C GLY A 7 12.299 26.748 -6.833 1.00 0.00 C ATOM 77 O GLY A 7 13.484 26.421 -6.799 1.00 0.00 O ATOM 0 H GLY A 7 11.040 24.693 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.169 26.607 -8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.868 27.526 -8.253 1.00 0.00 H new ATOM 81 N SER A 8 11.625 27.220 -5.780 1.00 0.00 N ATOM 82 CA SER A 8 12.144 27.389 -4.428 1.00 0.00 C ATOM 83 C SER A 8 11.158 26.817 -3.399 1.00 0.00 C ATOM 84 O SER A 8 11.586 26.334 -2.353 1.00 0.00 O ATOM 85 CB SER A 8 12.479 28.861 -4.158 1.00 0.00 C ATOM 86 OG SER A 8 11.318 29.663 -4.163 1.00 0.00 O ATOM 0 H SER A 8 10.650 27.509 -5.857 1.00 0.00 H new ATOM 0 HA SER A 8 13.073 26.827 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.981 28.951 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.175 29.222 -4.915 1.00 0.00 H new ATOM 0 HG SER A 8 11.564 30.595 -3.986 1.00 0.00 H new ATOM 92 N THR A 9 9.847 26.873 -3.687 1.00 0.00 N ATOM 93 CA THR A 9 8.775 26.364 -2.843 1.00 0.00 C ATOM 94 C THR A 9 8.932 24.839 -2.838 1.00 0.00 C ATOM 95 O THR A 9 8.641 24.189 -3.840 1.00 0.00 O ATOM 96 CB THR A 9 7.422 26.839 -3.424 1.00 0.00 C ATOM 97 OG1 THR A 9 7.529 28.170 -3.883 1.00 0.00 O ATOM 98 CG2 THR A 9 6.274 26.801 -2.409 1.00 0.00 C ATOM 0 H THR A 9 9.501 27.292 -4.550 1.00 0.00 H new ATOM 0 HA THR A 9 8.814 26.729 -1.817 1.00 0.00 H new ATOM 0 HB THR A 9 7.193 26.145 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.308 28.206 -4.837 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.356 27.147 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.136 25.780 -2.054 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.512 27.449 -1.566 1.00 0.00 H new ATOM 106 N ASN A 10 9.406 24.275 -1.717 1.00 0.00 N ATOM 107 CA ASN A 10 9.651 22.845 -1.549 1.00 0.00 C ATOM 108 C ASN A 10 8.623 22.200 -0.621 1.00 0.00 C ATOM 109 O ASN A 10 8.212 22.795 0.374 1.00 0.00 O ATOM 110 CB ASN A 10 11.077 22.654 -1.013 1.00 0.00 C ATOM 111 CG ASN A 10 11.395 21.190 -0.710 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.420 20.343 -1.742 1.00 0.00 O flip ATOM 113 ND2 ASN A 10 11.605 20.827 0.446 1.00 0.00 N flip ATOM 0 H ASN A 10 9.633 24.819 -0.885 1.00 0.00 H new ATOM 0 HA ASN A 10 9.550 22.349 -2.514 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.791 23.034 -1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.204 23.246 -0.106 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.577 21.506 1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.808 19.847 0.644 1.00 0.00 H new ATOM 120 N TYR A 11 8.215 20.970 -0.967 1.00 0.00 N ATOM 121 CA TYR A 11 7.263 20.159 -0.240 1.00 0.00 C ATOM 122 C TYR A 11 7.698 18.695 -0.354 1.00 0.00 C ATOM 123 O TYR A 11 8.201 18.265 -1.395 1.00 0.00 O ATOM 124 CB TYR A 11 5.847 20.299 -0.827 1.00 0.00 C ATOM 125 CG TYR A 11 5.509 21.514 -1.675 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.218 21.764 -2.862 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.477 22.389 -1.294 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.918 22.876 -3.648 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.178 23.515 -2.081 1.00 0.00 C ATOM 130 CZ TYR A 11 4.903 23.751 -3.262 1.00 0.00 C ATOM 131 OH TYR A 11 4.652 24.828 -4.048 1.00 0.00 O ATOM 0 H TYR A 11 8.565 20.503 -1.804 1.00 0.00 H new ATOM 0 HA TYR A 11 7.239 20.489 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.655 19.413 -1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.144 20.275 0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.003 21.088 -3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.912 22.196 -0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.472 23.060 -4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.395 24.195 -1.780 1.00 0.00 H new ATOM 0 HH TYR A 11 4.262 24.530 -4.896 1.00 0.00 H new ATOM 141 N SER A 12 7.482 17.937 0.723 1.00 0.00 N ATOM 142 CA SER A 12 7.802 16.521 0.810 1.00 0.00 C ATOM 143 C SER A 12 6.862 15.724 -0.073 1.00 0.00 C ATOM 144 O SER A 12 5.759 16.177 -0.370 1.00 0.00 O ATOM 145 CB SER A 12 7.681 16.081 2.273 1.00 0.00 C ATOM 146 OG SER A 12 7.945 14.699 2.399 1.00 0.00 O ATOM 0 H SER A 12 7.068 18.306 1.579 1.00 0.00 H new ATOM 0 HA SER A 12 8.820 16.343 0.464 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.380 16.648 2.888 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.680 16.301 2.643 1.00 0.00 H new ATOM 0 HG SER A 12 7.865 14.435 3.339 1.00 0.00 H new ATOM 152 N ALA A 13 7.318 14.536 -0.499 1.00 0.00 N ATOM 153 CA ALA A 13 6.504 13.625 -1.288 1.00 0.00 C ATOM 154 C ALA A 13 5.255 13.304 -0.449 1.00 0.00 C ATOM 155 O ALA A 13 4.220 12.915 -0.990 1.00 0.00 O ATOM 156 CB ALA A 13 7.301 12.347 -1.565 1.00 0.00 C ATOM 0 H ALA A 13 8.257 14.190 -0.303 1.00 0.00 H new ATOM 0 HA ALA A 13 6.221 14.065 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.695 11.661 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.208 12.596 -2.115 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.568 11.873 -0.621 1.00 0.00 H new ATOM 162 N SER A 14 5.373 13.493 0.880 1.00 0.00 N ATOM 163 CA SER A 14 4.318 13.269 1.854 1.00 0.00 C ATOM 164 C SER A 14 3.267 14.377 1.750 1.00 0.00 C ATOM 165 O SER A 14 2.083 14.119 1.933 1.00 0.00 O ATOM 166 CB SER A 14 4.915 13.227 3.265 1.00 0.00 C ATOM 167 OG SER A 14 5.897 12.216 3.351 1.00 0.00 O ATOM 0 H SER A 14 6.241 13.817 1.307 1.00 0.00 H new ATOM 0 HA SER A 14 3.836 12.313 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.356 14.193 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.127 13.042 3.995 1.00 0.00 H new ATOM 0 HG SER A 14 6.272 12.200 4.256 1.00 0.00 H new ATOM 173 N GLN A 15 3.691 15.616 1.465 1.00 0.00 N ATOM 174 CA GLN A 15 2.794 16.750 1.322 1.00 0.00 C ATOM 175 C GLN A 15 2.005 16.706 0.016 1.00 0.00 C ATOM 176 O GLN A 15 0.845 17.105 0.001 1.00 0.00 O ATOM 177 CB GLN A 15 3.565 18.058 1.517 1.00 0.00 C ATOM 178 CG GLN A 15 2.652 19.283 1.377 1.00 0.00 C ATOM 179 CD GLN A 15 1.470 19.313 2.345 1.00 0.00 C ATOM 180 OE1 GLN A 15 0.324 19.456 1.922 1.00 0.00 O ATOM 181 NE2 GLN A 15 1.738 19.188 3.647 1.00 0.00 N ATOM 0 H GLN A 15 4.674 15.851 1.328 1.00 0.00 H new ATOM 0 HA GLN A 15 2.040 16.694 2.108 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.031 18.062 2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.370 18.119 0.784 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.249 20.183 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.270 19.319 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.702 19.071 3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.979 19.210 4.328 1.00 0.00 H new ATOM 190 N VAL A 16 2.608 16.222 -1.073 1.00 0.00 N ATOM 191 CA VAL A 16 1.937 16.154 -2.366 1.00 0.00 C ATOM 192 C VAL A 16 0.834 15.103 -2.296 1.00 0.00 C ATOM 193 O VAL A 16 -0.292 15.351 -2.726 1.00 0.00 O ATOM 194 CB VAL A 16 2.905 15.806 -3.497 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.248 16.081 -4.849 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.175 16.644 -3.403 1.00 0.00 C ATOM 0 H VAL A 16 3.565 15.870 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 16 1.519 17.137 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 16 3.159 14.750 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.944 15.831 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.349 15.473 -4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.982 17.136 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.848 16.378 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.919 17.701 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.667 16.453 -2.450 1.00 0.00 H new ATOM 206 N ARG A 17 1.171 13.924 -1.753 1.00 0.00 N ATOM 207 CA ARG A 17 0.234 12.824 -1.605 1.00 0.00 C ATOM 208 C ARG A 17 -0.872 13.193 -0.632 1.00 0.00 C ATOM 209 O ARG A 17 -2.030 12.909 -0.904 1.00 0.00 O ATOM 210 CB ARG A 17 0.965 11.536 -1.213 1.00 0.00 C ATOM 211 CG ARG A 17 1.157 11.265 0.279 1.00 0.00 C ATOM 212 CD ARG A 17 1.984 9.993 0.480 1.00 0.00 C ATOM 213 NE ARG A 17 2.293 9.770 1.899 1.00 0.00 N ATOM 214 CZ ARG A 17 1.443 9.275 2.817 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.191 8.920 2.489 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.857 9.135 4.083 1.00 0.00 N ATOM 0 H ARG A 17 2.107 13.716 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.242 12.631 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.420 10.695 -1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.949 11.550 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.658 12.112 0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.187 11.158 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.437 9.136 0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.911 10.067 -0.088 1.00 0.00 H new ATOM 0 HE ARG A 17 3.232 10.011 2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.133 9.023 1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.436 8.547 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.807 9.402 4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.223 8.761 4.789 1.00 0.00 H new ATOM 230 N ALA A 18 -0.507 13.826 0.489 1.00 0.00 N ATOM 231 CA ALA A 18 -1.454 14.266 1.514 1.00 0.00 C ATOM 232 C ALA A 18 -2.430 15.272 0.905 1.00 0.00 C ATOM 233 O ALA A 18 -3.641 15.160 1.101 1.00 0.00 O ATOM 234 CB ALA A 18 -0.730 14.867 2.723 1.00 0.00 C ATOM 0 H ALA A 18 0.464 14.048 0.710 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.010 13.400 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.463 15.184 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.070 14.118 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.142 15.727 2.404 1.00 0.00 H new ATOM 240 N ALA A 19 -1.889 16.245 0.158 1.00 0.00 N ATOM 241 CA ALA A 19 -2.671 17.265 -0.524 1.00 0.00 C ATOM 242 C ALA A 19 -3.634 16.563 -1.481 1.00 0.00 C ATOM 243 O ALA A 19 -4.781 16.978 -1.617 1.00 0.00 O ATOM 244 CB ALA A 19 -1.750 18.243 -1.267 1.00 0.00 C ATOM 0 H ALA A 19 -0.884 16.340 0.014 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.241 17.852 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.353 18.999 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.083 18.727 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.160 17.698 -2.004 1.00 0.00 H new ATOM 250 N ALA A 20 -3.171 15.491 -2.141 1.00 0.00 N ATOM 251 CA ALA A 20 -3.996 14.721 -3.052 1.00 0.00 C ATOM 252 C ALA A 20 -5.026 13.841 -2.358 1.00 0.00 C ATOM 253 O ALA A 20 -6.070 13.594 -2.951 1.00 0.00 O ATOM 254 CB ALA A 20 -3.141 13.955 -4.064 1.00 0.00 C ATOM 0 H ALA A 20 -2.216 15.143 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.591 15.444 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.789 13.388 -4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.547 14.660 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.477 13.271 -3.535 1.00 0.00 H new ATOM 260 N ASN A 21 -4.763 13.356 -1.139 1.00 0.00 N ATOM 261 CA ASN A 21 -5.730 12.553 -0.402 1.00 0.00 C ATOM 262 C ASN A 21 -6.865 13.487 0.034 1.00 0.00 C ATOM 263 O ASN A 21 -7.993 13.037 0.248 1.00 0.00 O ATOM 264 CB ASN A 21 -5.087 11.890 0.826 1.00 0.00 C ATOM 265 CG ASN A 21 -3.987 10.888 0.478 1.00 0.00 C ATOM 266 OD1 ASN A 21 -2.869 10.991 0.980 1.00 0.00 O ATOM 267 ND2 ASN A 21 -4.301 9.907 -0.372 1.00 0.00 N ATOM 0 H ASN A 21 -3.884 13.510 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.106 11.751 -1.038 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.670 12.665 1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.861 11.381 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.602 9.209 -0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.240 9.856 -0.767 1.00 0.00 H new ATOM 274 N ALA A 22 -6.565 14.795 0.140 1.00 0.00 N ATOM 275 CA ALA A 22 -7.536 15.786 0.568 1.00 0.00 C ATOM 276 C ALA A 22 -8.392 15.998 -0.665 1.00 0.00 C ATOM 277 O ALA A 22 -9.579 15.700 -0.638 1.00 0.00 O ATOM 278 CB ALA A 22 -6.841 17.052 1.062 1.00 0.00 C ATOM 0 H ALA A 22 -5.644 15.180 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.143 15.475 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.590 17.779 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.196 16.807 1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.241 17.475 0.257 1.00 0.00 H new ATOM 284 N ALA A 23 -7.768 16.523 -1.725 1.00 0.00 N ATOM 285 CA ALA A 23 -8.378 16.743 -3.035 1.00 0.00 C ATOM 286 C ALA A 23 -9.317 15.593 -3.440 1.00 0.00 C ATOM 287 O ALA A 23 -10.462 15.826 -3.818 1.00 0.00 O ATOM 288 CB ALA A 23 -7.255 16.856 -4.070 1.00 0.00 C ATOM 0 H ALA A 23 -6.791 16.815 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.975 17.654 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.686 17.021 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.606 17.693 -3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.673 15.935 -4.077 1.00 0.00 H new ATOM 294 N CYS A 24 -8.810 14.355 -3.343 1.00 0.00 N ATOM 295 CA CYS A 24 -9.469 13.087 -3.643 1.00 0.00 C ATOM 296 C CYS A 24 -10.808 12.966 -2.922 1.00 0.00 C ATOM 297 O CYS A 24 -11.853 12.892 -3.567 1.00 0.00 O ATOM 298 CB CYS A 24 -8.512 11.966 -3.201 1.00 0.00 C ATOM 299 SG CYS A 24 -9.114 10.288 -2.870 1.00 0.00 S ATOM 0 H CYS A 24 -7.851 14.209 -3.027 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.685 13.020 -4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.744 11.882 -3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.017 12.311 -2.293 1.00 0.00 H new ATOM 304 N GLN A 25 -10.769 12.960 -1.584 1.00 0.00 N ATOM 305 CA GLN A 25 -11.959 12.820 -0.759 1.00 0.00 C ATOM 306 C GLN A 25 -12.917 14.009 -0.880 1.00 0.00 C ATOM 307 O GLN A 25 -14.127 13.819 -0.969 1.00 0.00 O ATOM 308 CB GLN A 25 -11.526 12.622 0.700 1.00 0.00 C ATOM 309 CG GLN A 25 -10.773 11.298 0.886 1.00 0.00 C ATOM 310 CD GLN A 25 -10.232 11.161 2.306 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.026 11.257 2.526 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.125 10.932 3.272 1.00 0.00 N ATOM 0 H GLN A 25 -9.906 13.053 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.513 11.952 -1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.889 13.451 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.403 12.637 1.347 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.440 10.464 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.949 11.243 0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.116 10.860 3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.816 10.829 4.239 1.00 0.00 H new ATOM 321 N TYR A 26 -12.376 15.230 -0.899 1.00 0.00 N ATOM 322 CA TYR A 26 -13.139 16.466 -0.961 1.00 0.00 C ATOM 323 C TYR A 26 -13.870 16.656 -2.293 1.00 0.00 C ATOM 324 O TYR A 26 -14.936 17.264 -2.294 1.00 0.00 O ATOM 325 CB TYR A 26 -12.251 17.670 -0.583 1.00 0.00 C ATOM 326 CG TYR A 26 -11.506 17.599 0.745 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.794 16.618 1.720 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.508 18.557 1.009 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.076 16.585 2.928 1.00 0.00 C ATOM 330 CE2 TYR A 26 -9.807 18.533 2.228 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.081 17.543 3.183 1.00 0.00 C ATOM 332 OH TYR A 26 -9.388 17.522 4.359 1.00 0.00 O ATOM 0 H TYR A 26 -11.368 15.383 -0.871 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.934 16.397 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.516 17.809 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.878 18.561 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.570 15.890 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.280 19.313 0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.290 15.822 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.054 19.281 2.430 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.737 18.255 4.368 1.00 0.00 H new ATOM 342 N TYR A 27 -13.329 16.143 -3.411 1.00 0.00 N ATOM 343 CA TYR A 27 -13.956 16.282 -4.726 1.00 0.00 C ATOM 344 C TYR A 27 -15.014 15.202 -4.978 1.00 0.00 C ATOM 345 O TYR A 27 -16.101 15.519 -5.458 1.00 0.00 O ATOM 346 CB TYR A 27 -12.903 16.301 -5.850 1.00 0.00 C ATOM 347 CG TYR A 27 -13.444 16.708 -7.219 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.204 17.892 -7.370 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.201 15.898 -8.349 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.722 18.247 -8.628 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.722 16.260 -9.600 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.491 17.424 -9.742 1.00 0.00 C ATOM 353 OH TYR A 27 -15.003 17.758 -10.962 1.00 0.00 O ATOM 0 H TYR A 27 -12.451 15.625 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.471 17.243 -4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.104 16.988 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.457 15.309 -5.930 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.387 18.526 -6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.613 14.998 -8.250 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.298 19.154 -8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.529 15.637 -10.461 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.746 17.080 -11.621 1.00 0.00 H new ATOM 363 N GLN A 28 -14.713 13.938 -4.651 1.00 0.00 N ATOM 364 CA GLN A 28 -15.626 12.818 -4.861 1.00 0.00 C ATOM 365 C GLN A 28 -16.827 12.887 -3.922 1.00 0.00 C ATOM 366 O GLN A 28 -17.965 12.797 -4.380 1.00 0.00 O ATOM 367 CB GLN A 28 -14.884 11.483 -4.695 1.00 0.00 C ATOM 368 CG GLN A 28 -13.839 11.266 -5.795 1.00 0.00 C ATOM 369 CD GLN A 28 -14.459 11.150 -7.186 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.986 10.099 -7.546 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.391 12.227 -7.976 1.00 0.00 N ATOM 0 H GLN A 28 -13.823 13.668 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.004 12.885 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.395 11.459 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.603 10.664 -4.712 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.131 12.095 -5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.273 10.360 -5.578 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.945 13.080 -7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.785 12.196 -8.916 1.00 0.00 H new ATOM 380 N ASN A 29 -16.580 13.048 -2.617 1.00 0.00 N ATOM 381 CA ASN A 29 -17.640 13.117 -1.619 1.00 0.00 C ATOM 382 C ASN A 29 -18.316 14.493 -1.601 1.00 0.00 C ATOM 383 O ASN A 29 -19.438 14.605 -1.111 1.00 0.00 O ATOM 384 CB ASN A 29 -17.090 12.757 -0.233 1.00 0.00 C ATOM 385 CG ASN A 29 -16.294 11.450 -0.234 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.701 10.472 -0.857 1.00 0.00 O ATOM 387 ND2 ASN A 29 -15.152 11.437 0.459 1.00 0.00 N ATOM 0 H ASN A 29 -15.640 13.133 -2.229 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.403 12.388 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.451 13.566 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -17.918 12.673 0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.581 10.592 0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -14.851 12.272 0.962 1.00 0.00 H new ATOM 394 N ASP A 30 -17.644 15.533 -2.123 1.00 0.00 N ATOM 395 CA ASP A 30 -18.143 16.902 -2.188 1.00 0.00 C ATOM 396 C ASP A 30 -18.346 17.462 -0.779 1.00 0.00 C ATOM 397 O ASP A 30 -19.469 17.741 -0.362 1.00 0.00 O ATOM 398 CB ASP A 30 -19.380 17.021 -3.090 1.00 0.00 C ATOM 399 CG ASP A 30 -19.063 16.573 -4.515 1.00 0.00 C ATOM 400 OD1 ASP A 30 -18.534 17.415 -5.272 1.00 0.00 O ATOM 401 OD2 ASP A 30 -19.347 15.395 -4.819 1.00 0.00 O ATOM 0 H ASP A 30 -16.710 15.433 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.389 17.528 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.189 16.413 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.730 18.053 -3.099 1.00 0.00 H new ATOM 406 N ASP A 31 -17.228 17.607 -0.059 1.00 0.00 N ATOM 407 CA ASP A 31 -17.144 18.134 1.298 1.00 0.00 C ATOM 408 C ASP A 31 -15.779 18.802 1.463 1.00 0.00 C ATOM 409 O ASP A 31 -14.907 18.609 0.624 1.00 0.00 O ATOM 410 CB ASP A 31 -17.361 17.018 2.334 1.00 0.00 C ATOM 411 CG ASP A 31 -16.171 16.068 2.468 1.00 0.00 C ATOM 412 OD1 ASP A 31 -15.707 15.570 1.421 1.00 0.00 O ATOM 413 OD2 ASP A 31 -15.743 15.852 3.622 1.00 0.00 O ATOM 0 H ASP A 31 -16.315 17.346 -0.430 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.930 18.870 1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.566 17.470 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.245 16.443 2.057 1.00 0.00 H new ATOM 418 N THR A 32 -15.583 19.574 2.537 1.00 0.00 N ATOM 419 CA THR A 32 -14.340 20.284 2.823 1.00 0.00 C ATOM 420 C THR A 32 -13.812 21.094 1.633 1.00 0.00 C ATOM 421 O THR A 32 -12.807 20.748 1.016 1.00 0.00 O ATOM 422 CB THR A 32 -13.295 19.400 3.539 1.00 0.00 C ATOM 423 OG1 THR A 32 -13.725 18.062 3.673 1.00 0.00 O ATOM 424 CG2 THR A 32 -13.012 19.951 4.939 1.00 0.00 C ATOM 0 H THR A 32 -16.302 19.723 3.245 1.00 0.00 H new ATOM 0 HA THR A 32 -14.585 21.051 3.558 1.00 0.00 H new ATOM 0 HB THR A 32 -12.396 19.418 2.923 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.090 17.468 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.274 19.321 5.436 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.626 20.967 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.934 19.958 5.521 1.00 0.00 H new ATOM 432 N ALA A 33 -14.515 22.193 1.332 1.00 0.00 N ATOM 433 CA ALA A 33 -14.195 23.122 0.259 1.00 0.00 C ATOM 434 C ALA A 33 -14.692 24.512 0.655 1.00 0.00 C ATOM 435 O ALA A 33 -15.730 24.636 1.304 1.00 0.00 O ATOM 436 CB ALA A 33 -14.846 22.652 -1.044 1.00 0.00 C ATOM 0 H ALA A 33 -15.350 22.463 1.852 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.118 23.162 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -14.604 23.351 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -14.471 21.661 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -15.928 22.609 -0.915 1.00 0.00 H new ATOM 442 N GLY A 34 -13.950 25.555 0.262 1.00 0.00 N ATOM 443 CA GLY A 34 -14.284 26.936 0.571 1.00 0.00 C ATOM 444 C GLY A 34 -15.414 27.458 -0.314 1.00 0.00 C ATOM 445 O GLY A 34 -16.100 26.690 -0.988 1.00 0.00 O ATOM 0 H GLY A 34 -13.094 25.455 -0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.577 27.014 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.401 27.562 0.440 1.00 0.00 H new ATOM 449 N SER A 35 -15.589 28.784 -0.310 1.00 0.00 N ATOM 450 CA SER A 35 -16.619 29.469 -1.076 1.00 0.00 C ATOM 451 C SER A 35 -16.162 29.717 -2.520 1.00 0.00 C ATOM 452 O SER A 35 -16.316 30.828 -3.022 1.00 0.00 O ATOM 453 CB SER A 35 -16.987 30.781 -0.368 1.00 0.00 C ATOM 454 OG SER A 35 -17.425 30.526 0.950 1.00 0.00 O ATOM 0 H SER A 35 -15.005 29.416 0.237 1.00 0.00 H new ATOM 0 HA SER A 35 -17.506 28.838 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 35 -16.123 31.445 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.771 31.294 -0.925 1.00 0.00 H new ATOM 0 HG SER A 35 -17.654 31.372 1.388 1.00 0.00 H new ATOM 460 N SER A 36 -15.593 28.705 -3.193 1.00 0.00 N ATOM 461 CA SER A 36 -15.144 28.796 -4.561 1.00 0.00 C ATOM 462 C SER A 36 -15.379 27.409 -5.141 1.00 0.00 C ATOM 463 O SER A 36 -15.522 26.440 -4.393 1.00 0.00 O ATOM 464 CB SER A 36 -13.665 29.191 -4.576 1.00 0.00 C ATOM 465 OG SER A 36 -12.883 28.208 -3.926 1.00 0.00 O ATOM 0 H SER A 36 -15.436 27.787 -2.778 1.00 0.00 H new ATOM 0 HA SER A 36 -15.670 29.550 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.325 29.313 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.535 30.154 -4.081 1.00 0.00 H new ATOM 0 HG SER A 36 -12.269 27.799 -4.571 1.00 0.00 H new ATOM 471 N THR A 37 -15.411 27.295 -6.467 1.00 0.00 N ATOM 472 CA THR A 37 -15.639 26.013 -7.109 1.00 0.00 C ATOM 473 C THR A 37 -14.351 25.182 -7.143 1.00 0.00 C ATOM 474 O THR A 37 -14.178 24.430 -8.092 1.00 0.00 O ATOM 475 CB THR A 37 -16.219 26.243 -8.519 1.00 0.00 C ATOM 476 OG1 THR A 37 -15.312 26.992 -9.303 1.00 0.00 O ATOM 477 CG2 THR A 37 -17.568 26.974 -8.483 1.00 0.00 C ATOM 0 H THR A 37 -15.282 28.075 -7.112 1.00 0.00 H new ATOM 0 HA THR A 37 -16.365 25.440 -6.531 1.00 0.00 H new ATOM 0 HB THR A 37 -16.378 25.259 -8.959 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.689 27.131 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.934 27.112 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.287 26.383 -7.915 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.442 27.947 -8.008 1.00 0.00 H new ATOM 485 N TYR A 38 -13.460 25.281 -6.136 1.00 0.00 N ATOM 486 CA TYR A 38 -12.194 24.525 -6.146 1.00 0.00 C ATOM 487 C TYR A 38 -12.386 23.198 -5.411 1.00 0.00 C ATOM 488 O TYR A 38 -12.864 23.223 -4.277 1.00 0.00 O ATOM 489 CB TYR A 38 -11.042 25.283 -5.445 1.00 0.00 C ATOM 490 CG TYR A 38 -10.442 26.508 -6.125 1.00 0.00 C ATOM 491 CD1 TYR A 38 -11.292 27.541 -6.561 1.00 0.00 C ATOM 492 CD2 TYR A 38 -9.041 26.642 -6.314 1.00 0.00 C ATOM 493 CE1 TYR A 38 -10.772 28.691 -7.172 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.525 27.797 -6.928 1.00 0.00 C ATOM 495 CZ TYR A 38 -9.386 28.822 -7.354 1.00 0.00 C ATOM 496 OH TYR A 38 -8.881 29.944 -7.940 1.00 0.00 O ATOM 0 H TYR A 38 -13.592 25.871 -5.314 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.928 24.375 -7.192 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -11.402 25.594 -4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.234 24.571 -5.277 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -12.359 27.447 -6.423 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.373 25.859 -5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -11.437 29.475 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.459 27.897 -7.073 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.905 29.876 -7.989 1.00 0.00 H new ATOM 506 N PRO A 39 -12.045 22.040 -6.010 1.00 0.00 N ATOM 507 CA PRO A 39 -11.505 21.804 -7.354 1.00 0.00 C ATOM 508 C PRO A 39 -12.389 22.245 -8.523 1.00 0.00 C ATOM 509 O PRO A 39 -13.512 21.761 -8.659 1.00 0.00 O ATOM 510 CB PRO A 39 -11.312 20.280 -7.438 1.00 0.00 C ATOM 511 CG PRO A 39 -11.091 19.906 -5.983 1.00 0.00 C ATOM 512 CD PRO A 39 -12.166 20.764 -5.328 1.00 0.00 C ATOM 0 HA PRO A 39 -10.600 22.402 -7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.185 19.781 -7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.460 20.011 -8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.237 18.842 -5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.088 20.155 -5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.158 20.332 -5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.000 20.865 -4.255 1.00 0.00 H new ATOM 520 N HIS A 40 -11.873 23.155 -9.368 1.00 0.00 N ATOM 521 CA HIS A 40 -12.562 23.673 -10.547 1.00 0.00 C ATOM 522 C HIS A 40 -11.977 23.015 -11.786 1.00 0.00 C ATOM 523 O HIS A 40 -10.840 22.549 -11.760 1.00 0.00 O ATOM 524 CB HIS A 40 -12.454 25.204 -10.655 1.00 0.00 C ATOM 525 CG HIS A 40 -11.081 25.742 -10.969 1.00 0.00 C ATOM 526 ND1 HIS A 40 -10.476 25.605 -12.211 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.178 26.440 -10.207 1.00 0.00 C ATOM 528 CE1 HIS A 40 -9.270 26.191 -12.135 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.032 26.733 -10.940 1.00 0.00 N ATOM 0 H HIS A 40 -10.944 23.555 -9.241 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.622 23.436 -10.458 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.143 25.545 -11.428 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.789 25.641 -9.714 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -10.874 25.145 -13.030 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.336 26.724 -9.177 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -8.567 26.220 -12.955 1.00 0.00 H new ATOM 537 N THR A 41 -12.753 22.994 -12.873 1.00 0.00 N ATOM 538 CA THR A 41 -12.329 22.404 -14.126 1.00 0.00 C ATOM 539 C THR A 41 -11.122 23.140 -14.694 1.00 0.00 C ATOM 540 O THR A 41 -11.188 24.335 -14.984 1.00 0.00 O ATOM 541 CB THR A 41 -13.484 22.355 -15.135 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.356 23.456 -14.979 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.244 21.045 -14.946 1.00 0.00 C ATOM 0 H THR A 41 -13.693 23.389 -12.899 1.00 0.00 H new ATOM 0 HA THR A 41 -12.026 21.376 -13.928 1.00 0.00 H new ATOM 0 HB THR A 41 -13.074 22.408 -16.144 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.080 23.396 -15.637 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.068 20.997 -15.657 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.570 20.205 -15.115 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.638 20.996 -13.931 1.00 0.00 H new ATOM 551 N TYR A 42 -10.025 22.394 -14.834 1.00 0.00 N ATOM 552 CA TYR A 42 -8.769 22.882 -15.379 1.00 0.00 C ATOM 553 C TYR A 42 -8.944 22.818 -16.897 1.00 0.00 C ATOM 554 O TYR A 42 -8.916 21.737 -17.485 1.00 0.00 O ATOM 555 CB TYR A 42 -7.596 22.044 -14.837 1.00 0.00 C ATOM 556 CG TYR A 42 -6.420 21.891 -15.784 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.877 23.005 -16.454 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.873 20.615 -16.001 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.802 22.836 -17.344 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.804 20.443 -16.892 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.276 21.552 -17.571 1.00 0.00 C ATOM 562 OH TYR A 42 -3.246 21.372 -18.442 1.00 0.00 O ATOM 0 H TYR A 42 -9.990 21.411 -14.563 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.529 23.904 -15.085 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.241 22.500 -13.913 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.967 21.052 -14.581 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.287 23.990 -16.284 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.278 19.761 -15.478 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.381 23.691 -17.852 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.388 19.460 -17.055 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.008 20.422 -18.476 1.00 0.00 H new ATOM 572 N ASN A 43 -9.135 23.991 -17.518 1.00 0.00 N ATOM 573 CA ASN A 43 -9.348 24.126 -18.950 1.00 0.00 C ATOM 574 C ASN A 43 -8.890 25.506 -19.427 1.00 0.00 C ATOM 575 O ASN A 43 -9.060 26.495 -18.715 1.00 0.00 O ATOM 576 CB ASN A 43 -10.843 23.928 -19.231 1.00 0.00 C ATOM 577 CG ASN A 43 -11.159 23.949 -20.722 1.00 0.00 C ATOM 578 OD1 ASN A 43 -11.535 24.986 -21.264 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.014 22.798 -21.386 1.00 0.00 N ATOM 0 H ASN A 43 -9.144 24.883 -17.023 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.766 23.378 -19.489 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.168 22.978 -18.806 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.411 24.712 -18.730 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.218 22.756 -22.384 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.699 21.962 -20.894 1.00 0.00 H new ATOM 586 N ASN A 44 -8.309 25.554 -20.634 1.00 0.00 N ATOM 587 CA ASN A 44 -7.822 26.765 -21.281 1.00 0.00 C ATOM 588 C ASN A 44 -6.810 27.498 -20.387 1.00 0.00 C ATOM 589 O ASN A 44 -5.924 26.848 -19.834 1.00 0.00 O ATOM 590 CB ASN A 44 -9.028 27.603 -21.745 1.00 0.00 C ATOM 591 CG ASN A 44 -8.669 28.575 -22.867 1.00 0.00 C ATOM 592 OD1 ASN A 44 -8.418 29.753 -22.614 1.00 0.00 O ATOM 593 ND2 ASN A 44 -8.653 28.084 -24.110 1.00 0.00 N ATOM 0 H ASN A 44 -8.164 24.718 -21.200 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.253 26.529 -22.180 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.820 26.936 -22.086 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.425 28.162 -20.898 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.426 28.693 -24.896 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.868 27.100 -24.273 1.00 0.00 H new ATOM 600 N TYR A 45 -6.943 28.827 -20.241 1.00 0.00 N ATOM 601 CA TYR A 45 -6.078 29.697 -19.450 1.00 0.00 C ATOM 602 C TYR A 45 -4.746 29.882 -20.186 1.00 0.00 C ATOM 603 O TYR A 45 -4.497 30.947 -20.747 1.00 0.00 O ATOM 604 CB TYR A 45 -5.953 29.188 -18.000 1.00 0.00 C ATOM 605 CG TYR A 45 -5.611 30.217 -16.930 1.00 0.00 C ATOM 606 CD1 TYR A 45 -4.703 31.270 -17.172 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.210 30.103 -15.660 1.00 0.00 C ATOM 608 CE1 TYR A 45 -4.401 32.193 -16.156 1.00 0.00 C ATOM 609 CE2 TYR A 45 -5.909 31.027 -14.646 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.007 32.074 -14.893 1.00 0.00 C ATOM 611 OH TYR A 45 -4.720 32.967 -13.903 1.00 0.00 O ATOM 0 H TYR A 45 -7.696 29.342 -20.697 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.518 30.689 -19.350 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.896 28.715 -17.725 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.189 28.411 -17.979 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.238 31.367 -18.142 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.905 29.300 -15.465 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.703 32.995 -16.346 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.372 30.932 -13.675 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.228 32.736 -13.097 1.00 0.00 H new ATOM 621 N GLU A 46 -3.906 28.840 -20.181 1.00 0.00 N ATOM 622 CA GLU A 46 -2.605 28.792 -20.833 1.00 0.00 C ATOM 623 C GLU A 46 -2.532 27.547 -21.717 1.00 0.00 C ATOM 624 O GLU A 46 -1.943 27.590 -22.797 1.00 0.00 O ATOM 625 CB GLU A 46 -1.475 28.808 -19.798 1.00 0.00 C ATOM 626 CG GLU A 46 -1.589 30.022 -18.869 1.00 0.00 C ATOM 627 CD GLU A 46 -0.258 30.327 -18.192 1.00 0.00 C ATOM 628 OE1 GLU A 46 0.007 29.706 -17.140 1.00 0.00 O ATOM 629 OE2 GLU A 46 0.472 31.174 -18.748 1.00 0.00 O ATOM 0 H GLU A 46 -4.131 27.970 -19.698 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.481 29.676 -21.458 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.506 27.892 -19.208 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.512 28.827 -20.308 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.916 30.891 -19.440 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.350 29.833 -18.112 1.00 0.00 H new ATOM 636 N GLY A 47 -3.126 26.437 -21.253 1.00 0.00 N ATOM 637 CA GLY A 47 -3.173 25.176 -21.969 1.00 0.00 C ATOM 638 C GLY A 47 -1.944 24.316 -21.694 1.00 0.00 C ATOM 639 O GLY A 47 -1.106 24.138 -22.578 1.00 0.00 O ATOM 0 H GLY A 47 -3.595 26.402 -20.348 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.070 24.629 -21.680 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.248 25.369 -23.039 1.00 0.00 H new ATOM 643 N PHE A 48 -1.847 23.781 -20.469 1.00 0.00 N ATOM 644 CA PHE A 48 -0.753 22.912 -20.046 1.00 0.00 C ATOM 645 C PHE A 48 -1.072 21.476 -20.480 1.00 0.00 C ATOM 646 O PHE A 48 -2.004 21.246 -21.250 1.00 0.00 O ATOM 647 CB PHE A 48 -0.527 23.043 -18.523 1.00 0.00 C ATOM 648 CG PHE A 48 0.891 23.379 -18.083 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.008 22.786 -18.706 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.092 24.286 -17.025 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.309 23.116 -18.292 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.396 24.611 -16.610 1.00 0.00 C ATOM 653 CZ PHE A 48 3.504 24.027 -17.242 1.00 0.00 C ATOM 0 H PHE A 48 -2.539 23.945 -19.738 1.00 0.00 H new ATOM 0 HA PHE A 48 0.182 23.207 -20.522 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.196 23.814 -18.142 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.820 22.105 -18.051 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.863 22.075 -19.505 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.242 24.733 -16.531 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.161 22.668 -18.782 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.545 25.312 -15.802 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.504 24.278 -16.922 1.00 0.00 H new ATOM 663 N ASP A 49 -0.296 20.508 -19.985 1.00 0.00 N ATOM 664 CA ASP A 49 -0.478 19.097 -20.292 1.00 0.00 C ATOM 665 C ASP A 49 0.085 18.224 -19.172 1.00 0.00 C ATOM 666 O ASP A 49 0.952 18.660 -18.415 1.00 0.00 O ATOM 667 CB ASP A 49 0.197 18.760 -21.630 1.00 0.00 C ATOM 668 CG ASP A 49 1.720 18.850 -21.547 1.00 0.00 C ATOM 669 OD1 ASP A 49 2.236 19.980 -21.694 1.00 0.00 O ATOM 670 OD2 ASP A 49 2.342 17.786 -21.329 1.00 0.00 O ATOM 0 H ASP A 49 0.484 20.690 -19.353 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.545 18.893 -20.376 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.090 17.754 -21.936 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.164 19.443 -22.399 1.00 0.00 H new ATOM 675 N PHE A 50 -0.424 16.989 -19.088 1.00 0.00 N ATOM 676 CA PHE A 50 -0.029 15.970 -18.126 1.00 0.00 C ATOM 677 C PHE A 50 -0.208 14.603 -18.798 1.00 0.00 C ATOM 678 O PHE A 50 -1.141 14.451 -19.587 1.00 0.00 O ATOM 679 CB PHE A 50 -0.887 16.052 -16.852 1.00 0.00 C ATOM 680 CG PHE A 50 -0.790 17.364 -16.091 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.450 17.799 -15.583 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.939 18.151 -15.881 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.545 19.021 -14.894 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.843 19.368 -15.185 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.603 19.805 -14.692 1.00 0.00 C ATOM 0 H PHE A 50 -1.155 16.665 -19.721 1.00 0.00 H new ATOM 0 HA PHE A 50 1.009 16.122 -17.829 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.929 15.884 -17.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.597 15.241 -16.185 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.332 17.191 -15.723 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.896 17.818 -16.256 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.501 19.357 -14.520 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.726 19.969 -15.029 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.532 20.742 -14.159 1.00 0.00 H new ATOM 695 N PRO A 51 0.664 13.611 -18.523 1.00 0.00 N ATOM 696 CA PRO A 51 0.583 12.262 -19.076 1.00 0.00 C ATOM 697 C PRO A 51 -0.831 11.673 -19.037 1.00 0.00 C ATOM 698 O PRO A 51 -1.291 11.107 -20.027 1.00 0.00 O ATOM 699 CB PRO A 51 1.554 11.418 -18.245 1.00 0.00 C ATOM 700 CG PRO A 51 2.625 12.430 -17.854 1.00 0.00 C ATOM 701 CD PRO A 51 1.832 13.723 -17.661 1.00 0.00 C ATOM 0 HA PRO A 51 0.844 12.275 -20.134 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.068 10.984 -17.371 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.969 10.592 -18.822 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.143 12.135 -16.941 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.383 12.535 -18.631 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.537 13.848 -16.619 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.432 14.592 -17.929 1.00 0.00 H new ATOM 709 N VAL A 52 -1.510 11.822 -17.894 1.00 0.00 N ATOM 710 CA VAL A 52 -2.866 11.341 -17.681 1.00 0.00 C ATOM 711 C VAL A 52 -3.883 12.347 -18.226 1.00 0.00 C ATOM 712 O VAL A 52 -3.642 13.553 -18.222 1.00 0.00 O ATOM 713 CB VAL A 52 -3.109 11.026 -16.196 1.00 0.00 C ATOM 714 CG1 VAL A 52 -2.290 9.799 -15.776 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.756 12.199 -15.273 1.00 0.00 C ATOM 0 H VAL A 52 -1.117 12.291 -17.078 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.997 10.410 -18.232 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.176 10.830 -16.091 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.470 9.585 -14.722 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.588 8.940 -16.377 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.230 9.999 -15.930 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.948 11.918 -14.238 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.702 12.451 -15.391 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.367 13.063 -15.533 1.00 0.00 H new ATOM 725 N ASP A 53 -5.027 11.824 -18.683 1.00 0.00 N ATOM 726 CA ASP A 53 -6.121 12.593 -19.266 1.00 0.00 C ATOM 727 C ASP A 53 -7.140 12.999 -18.200 1.00 0.00 C ATOM 728 O ASP A 53 -7.105 12.505 -17.073 1.00 0.00 O ATOM 729 CB ASP A 53 -6.787 11.774 -20.380 1.00 0.00 C ATOM 730 CG ASP A 53 -7.429 10.492 -19.852 1.00 0.00 C ATOM 731 OD1 ASP A 53 -6.682 9.500 -19.702 1.00 0.00 O ATOM 732 OD2 ASP A 53 -8.653 10.527 -19.601 1.00 0.00 O ATOM 0 H ASP A 53 -5.218 10.822 -18.654 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.717 13.511 -19.694 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.546 12.383 -20.871 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.044 11.521 -21.136 1.00 0.00 H new ATOM 737 N GLY A 54 -8.054 13.900 -18.580 1.00 0.00 N ATOM 738 CA GLY A 54 -9.096 14.427 -17.715 1.00 0.00 C ATOM 739 C GLY A 54 -10.451 13.755 -17.980 1.00 0.00 C ATOM 740 O GLY A 54 -10.491 12.645 -18.507 1.00 0.00 O ATOM 0 H GLY A 54 -8.083 14.287 -19.523 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.814 14.277 -16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.187 15.502 -17.869 1.00 0.00 H new ATOM 744 N PRO A 55 -11.569 14.408 -17.609 1.00 0.00 N ATOM 745 CA PRO A 55 -11.620 15.709 -16.963 1.00 0.00 C ATOM 746 C PRO A 55 -10.845 15.731 -15.649 1.00 0.00 C ATOM 747 O PRO A 55 -11.038 14.880 -14.787 1.00 0.00 O ATOM 748 CB PRO A 55 -13.098 16.015 -16.717 1.00 0.00 C ATOM 749 CG PRO A 55 -13.822 15.128 -17.727 1.00 0.00 C ATOM 750 CD PRO A 55 -12.914 13.901 -17.815 1.00 0.00 C ATOM 0 HA PRO A 55 -11.153 16.460 -17.600 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.391 15.779 -15.694 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.321 17.070 -16.878 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.824 14.866 -17.389 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.930 15.621 -18.693 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.176 13.162 -17.058 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.006 13.411 -18.784 1.00 0.00 H new ATOM 758 N TYR A 56 -9.957 16.711 -15.526 1.00 0.00 N ATOM 759 CA TYR A 56 -9.115 16.977 -14.389 1.00 0.00 C ATOM 760 C TYR A 56 -9.515 18.311 -13.777 1.00 0.00 C ATOM 761 O TYR A 56 -10.135 19.150 -14.431 1.00 0.00 O ATOM 762 CB TYR A 56 -7.647 16.913 -14.833 1.00 0.00 C ATOM 763 CG TYR A 56 -7.268 17.189 -16.283 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.819 18.267 -17.002 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.331 16.346 -16.915 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.455 18.488 -18.342 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.956 16.575 -18.250 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.523 17.641 -18.966 1.00 0.00 C ATOM 769 OH TYR A 56 -6.159 17.854 -20.265 1.00 0.00 O ATOM 0 H TYR A 56 -9.804 17.383 -16.278 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.240 16.227 -13.608 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.092 17.619 -14.215 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.279 15.917 -14.588 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.525 18.928 -16.521 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.899 15.520 -16.370 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.892 19.309 -18.892 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.231 15.931 -18.725 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.505 17.176 -20.537 1.00 0.00 H new ATOM 779 N GLN A 57 -9.159 18.480 -12.499 1.00 0.00 N ATOM 780 CA GLN A 57 -9.484 19.661 -11.725 1.00 0.00 C ATOM 781 C GLN A 57 -8.300 20.125 -10.889 1.00 0.00 C ATOM 782 O GLN A 57 -7.342 19.386 -10.668 1.00 0.00 O ATOM 783 CB GLN A 57 -10.692 19.384 -10.821 1.00 0.00 C ATOM 784 CG GLN A 57 -11.959 18.943 -11.566 1.00 0.00 C ATOM 785 CD GLN A 57 -11.936 17.519 -12.134 1.00 0.00 C ATOM 786 OE1 GLN A 57 -11.228 16.586 -11.487 1.00 0.00 O flip ATOM 787 NE2 GLN A 57 -12.552 17.264 -13.166 1.00 0.00 N flip ATOM 0 H GLN A 57 -8.629 17.784 -11.974 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.732 20.460 -12.424 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.421 18.611 -10.102 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.917 20.285 -10.251 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.806 19.029 -10.886 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.136 19.639 -12.386 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -13.083 17.996 -13.637 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.532 16.320 -13.552 1.00 0.00 H new ATOM 796 N GLU A 58 -8.400 21.367 -10.411 1.00 0.00 N ATOM 797 CA GLU A 58 -7.422 22.066 -9.632 1.00 0.00 C ATOM 798 C GLU A 58 -7.485 21.631 -8.171 1.00 0.00 C ATOM 799 O GLU A 58 -8.485 21.114 -7.697 1.00 0.00 O ATOM 800 CB GLU A 58 -7.815 23.549 -9.819 1.00 0.00 C ATOM 801 CG GLU A 58 -7.593 24.459 -8.628 1.00 0.00 C ATOM 802 CD GLU A 58 -6.132 24.803 -8.354 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.253 23.999 -8.729 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.918 25.886 -7.773 1.00 0.00 O ATOM 0 H GLU A 58 -9.231 21.935 -10.580 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.395 21.870 -9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.253 23.948 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.870 23.592 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.147 25.384 -8.786 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.013 23.984 -7.741 1.00 0.00 H new ATOM 811 N PHE A 59 -6.385 21.829 -7.456 1.00 0.00 N ATOM 812 CA PHE A 59 -6.270 21.558 -6.043 1.00 0.00 C ATOM 813 C PHE A 59 -5.076 22.381 -5.597 1.00 0.00 C ATOM 814 O PHE A 59 -3.941 21.934 -5.723 1.00 0.00 O ATOM 815 CB PHE A 59 -6.142 20.090 -5.671 1.00 0.00 C ATOM 816 CG PHE A 59 -6.278 20.023 -4.163 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.565 20.047 -3.594 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.147 19.959 -3.330 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.725 20.003 -2.202 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.308 19.916 -1.934 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.597 19.933 -1.375 1.00 0.00 C ATOM 0 H PHE A 59 -5.525 22.195 -7.864 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.192 21.833 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.915 19.496 -6.158 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.181 19.689 -5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.434 20.100 -4.233 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.157 19.943 -3.762 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.714 20.023 -1.769 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.441 19.870 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.718 19.892 -0.303 1.00 0.00 H new ATOM 831 N PRO A 60 -5.285 23.579 -5.050 1.00 0.00 N ATOM 832 CA PRO A 60 -4.177 24.417 -4.694 1.00 0.00 C ATOM 833 C PRO A 60 -3.441 23.861 -3.471 1.00 0.00 C ATOM 834 O PRO A 60 -4.086 23.269 -2.611 1.00 0.00 O ATOM 835 CB PRO A 60 -4.767 25.806 -4.558 1.00 0.00 C ATOM 836 CG PRO A 60 -6.185 25.540 -4.057 1.00 0.00 C ATOM 837 CD PRO A 60 -6.546 24.196 -4.707 1.00 0.00 C ATOM 0 HA PRO A 60 -3.383 24.453 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.200 26.416 -3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.770 26.336 -5.510 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.223 25.483 -2.969 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.873 26.330 -4.359 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.115 23.569 -4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.164 24.342 -5.593 1.00 0.00 H new ATOM 845 N ILE A 61 -2.109 24.019 -3.394 1.00 0.00 N ATOM 846 CA ILE A 61 -1.303 23.560 -2.269 1.00 0.00 C ATOM 847 C ILE A 61 -0.786 24.718 -1.446 1.00 0.00 C ATOM 848 O ILE A 61 -1.118 25.890 -1.615 1.00 0.00 O ATOM 849 CB ILE A 61 -0.181 22.608 -2.726 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.497 21.609 -1.759 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.823 23.257 -3.669 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.861 20.288 -2.441 1.00 0.00 C ATOM 0 H ILE A 61 -1.563 24.476 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.951 22.980 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.829 21.910 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.399 22.062 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.171 21.410 -0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.583 22.528 -3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.308 23.606 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.297 24.102 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.334 19.623 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.043 19.818 -2.829 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.551 20.481 -3.262 1.00 0.00 H new ATOM 864 N LYS A 62 0.056 24.263 -0.543 1.00 0.00 N ATOM 865 CA LYS A 62 0.778 25.028 0.466 1.00 0.00 C ATOM 866 C LYS A 62 1.982 24.228 0.960 1.00 0.00 C ATOM 867 O LYS A 62 1.956 22.998 0.946 1.00 0.00 O ATOM 868 CB LYS A 62 -0.147 25.480 1.609 1.00 0.00 C ATOM 869 CG LYS A 62 -0.051 27.002 1.773 1.00 0.00 C ATOM 870 CD LYS A 62 -0.834 27.494 2.997 1.00 0.00 C ATOM 871 CE LYS A 62 -0.957 29.024 3.018 1.00 0.00 C ATOM 872 NZ LYS A 62 0.351 29.692 2.913 1.00 0.00 N ATOM 0 H LYS A 62 0.275 23.268 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 62 1.153 25.945 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.176 25.191 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.136 24.985 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.995 27.292 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.434 27.489 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.829 27.049 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.336 27.157 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.594 29.346 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.448 29.334 3.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.232 30.714 3.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.997 29.306 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.749 29.529 1.966 1.00 0.00 H new ATOM 886 N SER A 63 3.028 24.936 1.409 1.00 0.00 N ATOM 887 CA SER A 63 4.286 24.380 1.888 1.00 0.00 C ATOM 888 C SER A 63 4.202 23.790 3.297 1.00 0.00 C ATOM 889 O SER A 63 5.001 24.146 4.163 1.00 0.00 O ATOM 890 CB SER A 63 5.377 25.451 1.760 1.00 0.00 C ATOM 891 OG SER A 63 6.652 24.904 2.025 1.00 0.00 O ATOM 0 H SER A 63 3.012 25.955 1.447 1.00 0.00 H new ATOM 0 HA SER A 63 4.542 23.525 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.360 25.875 0.756 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.175 26.267 2.454 1.00 0.00 H new ATOM 0 HG SER A 63 6.645 24.467 2.902 1.00 0.00 H new ATOM 897 N GLY A 64 3.230 22.898 3.523 1.00 0.00 N ATOM 898 CA GLY A 64 3.033 22.210 4.790 1.00 0.00 C ATOM 899 C GLY A 64 1.614 22.303 5.344 1.00 0.00 C ATOM 900 O GLY A 64 1.468 22.517 6.547 1.00 0.00 O ATOM 0 H GLY A 64 2.549 22.634 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.292 21.159 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.725 22.622 5.525 1.00 0.00 H new ATOM 904 N GLY A 65 0.567 22.144 4.515 1.00 0.00 N ATOM 905 CA GLY A 65 -0.787 22.206 5.049 1.00 0.00 C ATOM 906 C GLY A 65 -1.911 22.359 4.025 1.00 0.00 C ATOM 907 O GLY A 65 -2.451 23.457 3.894 1.00 0.00 O ATOM 0 H GLY A 65 0.635 21.978 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.970 21.299 5.625 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.842 23.042 5.746 1.00 0.00 H new ATOM 911 N VAL A 66 -2.262 21.265 3.324 1.00 0.00 N ATOM 912 CA VAL A 66 -3.340 21.181 2.333 1.00 0.00 C ATOM 913 C VAL A 66 -3.482 22.445 1.481 1.00 0.00 C ATOM 914 O VAL A 66 -2.491 23.032 1.049 1.00 0.00 O ATOM 915 CB VAL A 66 -4.590 20.580 3.037 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.267 21.511 4.056 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.630 19.903 2.122 1.00 0.00 C ATOM 0 H VAL A 66 -1.776 20.376 3.442 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.113 20.482 1.528 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.132 19.767 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.128 21.006 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.557 21.767 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.597 22.421 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.454 19.523 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.011 20.630 1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.161 19.077 1.588 1.00 0.00 H new ATOM 927 N TYR A 67 -4.727 22.829 1.239 1.00 0.00 N ATOM 928 CA TYR A 67 -5.167 23.999 0.490 1.00 0.00 C ATOM 929 C TYR A 67 -4.647 25.336 1.047 1.00 0.00 C ATOM 930 O TYR A 67 -3.875 25.366 2.004 1.00 0.00 O ATOM 931 CB TYR A 67 -6.681 23.927 0.224 1.00 0.00 C ATOM 932 CG TYR A 67 -7.577 23.620 1.411 1.00 0.00 C ATOM 933 CD1 TYR A 67 -7.569 24.446 2.550 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.437 22.505 1.368 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.409 24.155 3.641 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.279 22.218 2.455 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.263 23.039 3.595 1.00 0.00 C ATOM 938 OH TYR A 67 -10.073 22.749 4.655 1.00 0.00 O ATOM 0 H TYR A 67 -5.518 22.289 1.588 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.688 23.972 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.996 24.880 -0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.855 23.167 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.916 25.306 2.587 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.449 21.868 0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.398 24.790 4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.940 21.365 2.414 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.598 21.946 4.456 1.00 0.00 H new ATOM 948 N THR A 68 -5.090 26.451 0.447 1.00 0.00 N ATOM 949 CA THR A 68 -4.666 27.800 0.800 1.00 0.00 C ATOM 950 C THR A 68 -5.348 28.355 2.050 1.00 0.00 C ATOM 951 O THR A 68 -6.417 27.908 2.462 1.00 0.00 O ATOM 952 CB THR A 68 -4.949 28.740 -0.381 1.00 0.00 C ATOM 953 OG1 THR A 68 -6.330 28.728 -0.689 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.152 28.344 -1.624 1.00 0.00 C ATOM 0 H THR A 68 -5.769 26.431 -0.314 1.00 0.00 H new ATOM 0 HA THR A 68 -3.601 27.743 1.023 1.00 0.00 H new ATOM 0 HB THR A 68 -4.641 29.742 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.502 29.331 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.380 29.033 -2.437 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.086 28.386 -1.401 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.421 27.330 -1.921 1.00 0.00 H new ATOM 962 N GLY A 69 -4.678 29.355 2.635 1.00 0.00 N ATOM 963 CA GLY A 69 -5.087 30.083 3.821 1.00 0.00 C ATOM 964 C GLY A 69 -4.012 31.117 4.156 1.00 0.00 C ATOM 965 O GLY A 69 -3.579 31.215 5.303 1.00 0.00 O ATOM 0 H GLY A 69 -3.788 29.689 2.266 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.045 30.575 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.225 29.397 4.657 1.00 0.00 H new ATOM 969 N GLY A 70 -3.577 31.880 3.142 1.00 0.00 N ATOM 970 CA GLY A 70 -2.549 32.899 3.272 1.00 0.00 C ATOM 971 C GLY A 70 -2.118 33.414 1.898 1.00 0.00 C ATOM 972 O GLY A 70 -2.842 33.254 0.915 1.00 0.00 O ATOM 0 H GLY A 70 -3.943 31.797 2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.925 33.726 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.687 32.488 3.798 1.00 0.00 H new ATOM 976 N SER A 71 -0.930 34.029 1.840 1.00 0.00 N ATOM 977 CA SER A 71 -0.348 34.601 0.631 1.00 0.00 C ATOM 978 C SER A 71 1.171 34.732 0.808 1.00 0.00 C ATOM 979 O SER A 71 1.639 34.803 1.945 1.00 0.00 O ATOM 980 CB SER A 71 -0.993 35.973 0.368 1.00 0.00 C ATOM 981 OG SER A 71 -0.795 36.840 1.465 1.00 0.00 O ATOM 0 H SER A 71 -0.334 34.143 2.660 1.00 0.00 H new ATOM 0 HA SER A 71 -0.538 33.954 -0.225 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.565 36.414 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.060 35.849 0.185 1.00 0.00 H new ATOM 0 HG SER A 71 -1.211 37.707 1.276 1.00 0.00 H new ATOM 987 N PRO A 72 1.962 34.778 -0.280 1.00 0.00 N ATOM 988 CA PRO A 72 1.558 34.667 -1.677 1.00 0.00 C ATOM 989 C PRO A 72 1.328 33.206 -2.077 1.00 0.00 C ATOM 990 O PRO A 72 1.729 32.286 -1.364 1.00 0.00 O ATOM 991 CB PRO A 72 2.718 35.297 -2.453 1.00 0.00 C ATOM 992 CG PRO A 72 3.930 34.868 -1.628 1.00 0.00 C ATOM 993 CD PRO A 72 3.402 34.971 -0.195 1.00 0.00 C ATOM 0 HA PRO A 72 0.611 35.166 -1.881 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.771 34.927 -3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.628 36.382 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.250 33.855 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.787 35.521 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.859 34.216 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.640 35.942 0.239 1.00 0.00 H new ATOM 1001 N GLY A 73 0.683 33.004 -3.234 1.00 0.00 N ATOM 1002 CA GLY A 73 0.353 31.691 -3.769 1.00 0.00 C ATOM 1003 C GLY A 73 1.469 31.120 -4.638 1.00 0.00 C ATOM 1004 O GLY A 73 2.520 30.738 -4.124 1.00 0.00 O ATOM 0 H GLY A 73 0.373 33.770 -3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.151 31.006 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.562 31.761 -4.357 1.00 0.00 H new ATOM 1008 N ALA A 74 1.221 31.058 -5.954 1.00 0.00 N ATOM 1009 CA ALA A 74 2.133 30.526 -6.961 1.00 0.00 C ATOM 1010 C ALA A 74 2.494 29.067 -6.677 1.00 0.00 C ATOM 1011 O ALA A 74 3.624 28.666 -6.920 1.00 0.00 O ATOM 1012 CB ALA A 74 3.385 31.399 -7.094 1.00 0.00 C ATOM 0 H ALA A 74 0.345 31.391 -6.355 1.00 0.00 H new ATOM 0 HA ALA A 74 1.613 30.550 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.045 30.976 -7.852 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.095 32.408 -7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.907 31.435 -6.138 1.00 0.00 H new ATOM 1018 N ASP A 75 1.551 28.279 -6.151 1.00 0.00 N ATOM 1019 CA ASP A 75 1.732 26.871 -5.859 1.00 0.00 C ATOM 1020 C ASP A 75 0.395 26.133 -5.928 1.00 0.00 C ATOM 1021 O ASP A 75 -0.453 26.284 -5.047 1.00 0.00 O ATOM 1022 CB ASP A 75 2.438 26.669 -4.515 1.00 0.00 C ATOM 1023 CG ASP A 75 1.801 27.302 -3.273 1.00 0.00 C ATOM 1024 OD1 ASP A 75 0.928 28.185 -3.420 1.00 0.00 O ATOM 1025 OD2 ASP A 75 2.220 26.881 -2.173 1.00 0.00 O ATOM 0 H ASP A 75 0.620 28.621 -5.914 1.00 0.00 H new ATOM 0 HA ASP A 75 2.382 26.440 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.523 25.597 -4.339 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.452 27.058 -4.607 1.00 0.00 H new ATOM 1030 N ARG A 76 0.215 25.323 -6.981 1.00 0.00 N ATOM 1031 CA ARG A 76 -1.012 24.572 -7.181 1.00 0.00 C ATOM 1032 C ARG A 76 -0.736 23.202 -7.801 1.00 0.00 C ATOM 1033 O ARG A 76 -0.010 23.102 -8.789 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.017 25.420 -8.005 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.322 24.902 -9.418 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.247 25.838 -10.205 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.911 25.106 -11.294 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.372 25.624 -12.447 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.276 26.935 -12.715 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.941 24.805 -13.344 1.00 0.00 N ATOM 0 H ARG A 76 0.916 25.177 -7.708 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.470 24.369 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.953 25.481 -7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.627 26.435 -8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.387 24.778 -9.965 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.783 23.917 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.995 26.266 -9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.672 26.668 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.035 24.102 -11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.846 27.564 -12.037 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.633 27.303 -13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.019 23.807 -13.146 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.296 25.180 -14.224 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.309 22.149 -7.199 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.212 20.785 -7.704 1.00 0.00 C ATOM 1056 C VAL A 77 -2.530 20.584 -8.457 1.00 0.00 C ATOM 1057 O VAL A 77 -3.510 21.282 -8.199 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.937 19.713 -6.631 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.439 19.896 -5.988 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.988 19.638 -5.523 1.00 0.00 C ATOM 0 H VAL A 77 -1.856 22.228 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.340 20.658 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.978 18.773 -7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.596 19.122 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.211 19.821 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.492 20.876 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.714 18.857 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.041 20.596 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.960 19.407 -5.959 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.579 19.649 -9.402 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.781 19.415 -10.187 1.00 0.00 C ATOM 1072 C VAL A 78 -3.981 17.900 -10.256 1.00 0.00 C ATOM 1073 O VAL A 78 -3.026 17.169 -10.518 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.605 20.167 -11.521 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.780 19.977 -12.486 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.451 21.681 -11.238 1.00 0.00 C ATOM 0 H VAL A 78 -1.796 19.041 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.706 19.805 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.717 19.751 -11.997 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.590 20.533 -13.404 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.891 18.918 -12.720 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.695 20.344 -12.022 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.326 22.216 -12.179 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.341 22.048 -10.727 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.577 21.846 -10.608 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.219 17.443 -10.005 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.599 16.033 -9.988 1.00 0.00 C ATOM 1088 C ILE A 79 -6.621 15.689 -11.078 1.00 0.00 C ATOM 1089 O ILE A 79 -7.041 16.553 -11.842 1.00 0.00 O ATOM 1090 CB ILE A 79 -6.129 15.655 -8.588 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.487 16.296 -8.245 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.100 15.978 -7.495 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.252 15.418 -7.249 1.00 0.00 C ATOM 0 H ILE A 79 -6.000 18.067 -9.803 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.709 15.444 -10.207 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.292 14.578 -8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.332 17.288 -7.821 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.076 16.426 -9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.504 15.700 -6.521 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.184 15.418 -7.681 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.881 17.046 -7.506 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.210 15.883 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.423 14.435 -7.687 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.668 15.311 -6.335 1.00 0.00 H new ATOM 1105 N ASN A 80 -7.015 14.410 -11.119 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.983 13.820 -12.036 1.00 0.00 C ATOM 1107 C ASN A 80 -9.327 13.649 -11.322 1.00 0.00 C ATOM 1108 O ASN A 80 -9.420 13.897 -10.120 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.443 12.480 -12.544 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.068 12.641 -13.191 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.054 12.274 -12.604 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -6.031 13.201 -14.401 1.00 0.00 N ATOM 0 H ASN A 80 -6.639 13.720 -10.469 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.139 14.474 -12.894 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.376 11.775 -11.715 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.140 12.056 -13.267 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.137 13.338 -14.872 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.897 13.492 -14.855 1.00 0.00 H new ATOM 1119 N THR A 81 -10.367 13.215 -12.056 1.00 0.00 N ATOM 1120 CA THR A 81 -11.712 13.035 -11.516 1.00 0.00 C ATOM 1121 C THR A 81 -12.000 11.744 -10.770 1.00 0.00 C ATOM 1122 O THR A 81 -12.998 11.061 -11.001 1.00 0.00 O ATOM 1123 CB THR A 81 -12.778 13.441 -12.540 1.00 0.00 C ATOM 1124 OG1 THR A 81 -14.063 13.492 -11.952 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.781 12.482 -13.725 1.00 0.00 C ATOM 0 H THR A 81 -10.290 12.980 -13.046 1.00 0.00 H new ATOM 0 HA THR A 81 -11.767 13.738 -10.685 1.00 0.00 H new ATOM 0 HB THR A 81 -12.527 14.440 -12.897 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.248 12.644 -11.496 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.545 12.789 -14.439 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.804 12.498 -14.209 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.996 11.472 -13.375 1.00 0.00 H new ATOM 1133 N ASN A 82 -11.098 11.433 -9.847 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.189 10.290 -8.983 1.00 0.00 C ATOM 1135 C ASN A 82 -10.421 10.704 -7.734 1.00 0.00 C ATOM 1136 O ASN A 82 -10.992 11.247 -6.793 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.637 9.017 -9.657 1.00 0.00 C ATOM 1138 CG ASN A 82 -11.566 8.461 -10.734 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.597 7.871 -10.419 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.199 8.640 -12.007 1.00 0.00 N ATOM 0 H ASN A 82 -10.262 11.994 -9.684 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.217 10.021 -8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.667 9.239 -10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.472 8.253 -8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.784 8.281 -12.762 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.334 9.136 -12.224 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.117 10.447 -7.782 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.119 10.662 -6.732 1.00 0.00 C ATOM 1149 C CYS A 83 -6.669 10.678 -7.245 1.00 0.00 C ATOM 1150 O CYS A 83 -5.756 10.871 -6.442 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.265 9.534 -5.684 1.00 0.00 C ATOM 1152 SG CYS A 83 -9.768 9.587 -4.662 1.00 0.00 S ATOM 0 H CYS A 83 -8.695 10.051 -8.622 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.309 11.648 -6.307 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.236 8.576 -6.204 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.399 9.564 -5.023 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.432 10.498 -8.553 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.099 10.430 -9.130 1.00 0.00 C ATOM 1159 C GLU A 84 -4.467 11.803 -9.338 1.00 0.00 C ATOM 1160 O GLU A 84 -5.130 12.741 -9.765 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.205 9.647 -10.446 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.862 9.468 -11.162 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.046 8.699 -12.466 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.761 9.234 -13.341 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.472 7.594 -12.568 1.00 0.00 O ATOM 0 H GLU A 84 -7.177 10.395 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.432 9.921 -8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.632 8.665 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.896 10.163 -11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.421 10.443 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.167 8.934 -10.514 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.170 11.900 -9.029 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.358 13.098 -9.169 1.00 0.00 C ATOM 1174 C TYR A 85 -1.946 13.223 -10.640 1.00 0.00 C ATOM 1175 O TYR A 85 -1.432 12.264 -11.214 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.162 12.972 -8.206 1.00 0.00 C ATOM 1177 CG TYR A 85 0.004 13.919 -8.441 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.927 13.639 -9.468 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.182 15.066 -7.642 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.012 14.498 -9.702 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.257 15.934 -7.891 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.172 15.651 -8.917 1.00 0.00 C ATOM 1183 OH TYR A 85 3.219 16.496 -9.140 1.00 0.00 O ATOM 0 H TYR A 85 -2.642 11.109 -8.660 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.896 14.009 -8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.525 13.125 -7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.787 11.950 -8.260 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.799 12.758 -10.079 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.508 15.277 -6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.722 14.273 -10.484 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.380 16.823 -7.291 1.00 0.00 H new ATOM 0 HH TYR A 85 3.996 15.981 -9.442 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.178 14.395 -11.252 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.832 14.660 -12.643 1.00 0.00 C ATOM 1195 C ALA A 86 -0.457 15.325 -12.736 1.00 0.00 C ATOM 1196 O ALA A 86 0.376 14.900 -13.535 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.918 15.497 -13.324 1.00 0.00 C ATOM 0 H ALA A 86 -2.616 15.188 -10.784 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.775 13.711 -13.176 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.638 15.682 -14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.865 14.958 -13.295 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.025 16.448 -12.802 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.216 16.362 -11.923 1.00 0.00 N ATOM 1204 CA GLY A 87 1.056 17.069 -11.906 1.00 0.00 C ATOM 1205 C GLY A 87 1.058 18.222 -10.903 1.00 0.00 C ATOM 1206 O GLY A 87 0.107 18.394 -10.141 1.00 0.00 O ATOM 0 H GLY A 87 -0.901 16.728 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.855 16.371 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.269 17.455 -12.903 1.00 0.00 H new ATOM 1210 N ALA A 88 2.154 18.996 -10.916 1.00 0.00 N ATOM 1211 CA ALA A 88 2.377 20.157 -10.065 1.00 0.00 C ATOM 1212 C ALA A 88 2.957 21.304 -10.891 1.00 0.00 C ATOM 1213 O ALA A 88 3.777 21.075 -11.782 1.00 0.00 O ATOM 1214 CB ALA A 88 3.312 19.793 -8.908 1.00 0.00 C ATOM 0 H ALA A 88 2.935 18.817 -11.547 1.00 0.00 H new ATOM 0 HA ALA A 88 1.425 20.480 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.471 20.669 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.863 18.997 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.268 19.454 -9.306 1.00 0.00 H new ATOM 1220 N ILE A 89 2.520 22.534 -10.587 1.00 0.00 N ATOM 1221 CA ILE A 89 2.934 23.756 -11.267 1.00 0.00 C ATOM 1222 C ILE A 89 3.096 24.890 -10.239 1.00 0.00 C ATOM 1223 O ILE A 89 2.501 24.837 -9.161 1.00 0.00 O ATOM 1224 CB ILE A 89 1.952 24.089 -12.409 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.513 24.261 -11.897 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.002 23.012 -13.501 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.484 24.647 -12.996 1.00 0.00 C ATOM 0 H ILE A 89 1.849 22.704 -9.838 1.00 0.00 H new ATOM 0 HA ILE A 89 3.908 23.619 -11.737 1.00 0.00 H new ATOM 0 HB ILE A 89 2.267 25.041 -12.836 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.187 23.330 -11.432 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.501 25.026 -11.121 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.302 23.267 -14.296 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.011 22.955 -13.910 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.729 22.047 -13.073 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.479 24.752 -12.564 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.182 25.593 -13.445 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.500 23.871 -13.761 1.00 0.00 H new ATOM 1239 N THR A 90 3.895 25.917 -10.578 1.00 0.00 N ATOM 1240 CA THR A 90 4.182 27.058 -9.705 1.00 0.00 C ATOM 1241 C THR A 90 4.481 28.357 -10.475 1.00 0.00 C ATOM 1242 O THR A 90 4.987 28.282 -11.593 1.00 0.00 O ATOM 1243 CB THR A 90 5.431 26.658 -8.887 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.790 27.630 -7.936 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.672 26.432 -9.770 1.00 0.00 C ATOM 0 H THR A 90 4.365 25.974 -11.482 1.00 0.00 H new ATOM 0 HA THR A 90 3.307 27.268 -9.090 1.00 0.00 H new ATOM 0 HB THR A 90 5.139 25.731 -8.394 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.029 28.226 -7.775 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.519 26.153 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.470 25.633 -10.483 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.906 27.349 -10.310 1.00 0.00 H new ATOM 1253 N HIS A 91 4.162 29.543 -9.908 1.00 0.00 N ATOM 1254 CA HIS A 91 4.509 30.815 -10.569 1.00 0.00 C ATOM 1255 C HIS A 91 5.987 31.126 -10.314 1.00 0.00 C ATOM 1256 O HIS A 91 6.591 31.865 -11.086 1.00 0.00 O ATOM 1257 CB HIS A 91 3.700 32.098 -10.276 1.00 0.00 C ATOM 1258 CG HIS A 91 2.222 32.087 -10.529 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.415 33.170 -10.219 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.381 31.154 -11.071 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.160 32.848 -10.579 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.073 31.626 -11.106 1.00 0.00 N ATOM 0 H HIS A 91 3.677 29.643 -9.016 1.00 0.00 H new ATOM 0 HA HIS A 91 4.244 30.595 -11.603 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.855 32.355 -9.228 1.00 0.00 H new ATOM 0 HB3 HIS A 91 4.132 32.904 -10.869 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.691 30.182 -11.424 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.686 33.508 -10.455 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.759 31.149 -11.454 1.00 0.00 H new ATOM 1270 N THR A 92 6.552 30.576 -9.227 1.00 0.00 N ATOM 1271 CA THR A 92 7.938 30.721 -8.809 1.00 0.00 C ATOM 1272 C THR A 92 8.857 30.400 -9.989 1.00 0.00 C ATOM 1273 O THR A 92 9.063 29.234 -10.325 1.00 0.00 O ATOM 1274 CB THR A 92 8.185 29.796 -7.606 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.161 29.975 -6.646 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.536 30.067 -6.942 1.00 0.00 C ATOM 0 H THR A 92 6.017 29.988 -8.588 1.00 0.00 H new ATOM 0 HA THR A 92 8.153 31.744 -8.499 1.00 0.00 H new ATOM 0 HB THR A 92 8.186 28.772 -7.979 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.469 29.293 -6.775 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.668 29.391 -6.097 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.336 29.905 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.568 31.098 -6.590 1.00 0.00 H new ATOM 1284 N GLY A 93 9.398 31.453 -10.615 1.00 0.00 N ATOM 1285 CA GLY A 93 10.271 31.358 -11.770 1.00 0.00 C ATOM 1286 C GLY A 93 9.418 31.223 -13.031 1.00 0.00 C ATOM 1287 O GLY A 93 9.484 30.201 -13.710 1.00 0.00 O ATOM 0 H GLY A 93 9.231 32.414 -10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.904 32.243 -11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.934 30.499 -11.671 1.00 0.00 H new ATOM 1291 N ALA A 94 8.614 32.253 -13.333 1.00 0.00 N ATOM 1292 CA ALA A 94 7.740 32.301 -14.499 1.00 0.00 C ATOM 1293 C ALA A 94 7.542 33.746 -14.965 1.00 0.00 C ATOM 1294 O ALA A 94 8.072 34.681 -14.364 1.00 0.00 O ATOM 1295 CB ALA A 94 6.395 31.644 -14.169 1.00 0.00 C ATOM 0 H ALA A 94 8.557 33.092 -12.756 1.00 0.00 H new ATOM 0 HA ALA A 94 8.207 31.748 -15.314 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.747 31.683 -15.044 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.558 30.605 -13.884 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.923 32.177 -13.343 1.00 0.00 H new ATOM 1301 N SER A 95 6.761 33.916 -16.040 1.00 0.00 N ATOM 1302 CA SER A 95 6.446 35.194 -16.663 1.00 0.00 C ATOM 1303 C SER A 95 5.240 35.844 -15.976 1.00 0.00 C ATOM 1304 O SER A 95 4.192 36.061 -16.584 1.00 0.00 O ATOM 1305 CB SER A 95 6.247 34.984 -18.168 1.00 0.00 C ATOM 1306 OG SER A 95 5.937 36.199 -18.815 1.00 0.00 O ATOM 0 H SER A 95 6.316 33.130 -16.514 1.00 0.00 H new ATOM 0 HA SER A 95 7.274 35.892 -16.538 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.152 34.558 -18.601 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.445 34.265 -18.335 1.00 0.00 H new ATOM 0 HG SER A 95 5.137 36.592 -18.408 1.00 0.00 H new ATOM 1312 N GLY A 96 5.417 36.137 -14.685 1.00 0.00 N ATOM 1313 CA GLY A 96 4.444 36.785 -13.817 1.00 0.00 C ATOM 1314 C GLY A 96 3.260 35.888 -13.466 1.00 0.00 C ATOM 1315 O GLY A 96 3.306 35.161 -12.473 1.00 0.00 O ATOM 0 H GLY A 96 6.286 35.916 -14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.939 37.099 -12.898 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.076 37.687 -14.305 1.00 0.00 H new ATOM 1319 N ASN A 97 2.207 35.940 -14.290 1.00 0.00 N ATOM 1320 CA ASN A 97 0.983 35.171 -14.103 1.00 0.00 C ATOM 1321 C ASN A 97 1.157 33.726 -14.570 1.00 0.00 C ATOM 1322 O ASN A 97 0.422 32.845 -14.127 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.162 35.843 -14.880 1.00 0.00 C ATOM 1324 CG ASN A 97 0.023 35.724 -16.394 1.00 0.00 C ATOM 1325 OD1 ASN A 97 0.676 36.565 -17.008 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -0.542 34.670 -16.993 1.00 0.00 N ATOM 0 H ASN A 97 2.187 36.532 -15.121 1.00 0.00 H new ATOM 0 HA ASN A 97 0.746 35.149 -13.039 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.110 35.387 -14.594 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.218 36.896 -14.604 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.439 34.540 -17.999 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.076 33.997 -16.443 1.00 0.00 H new ATOM 1333 N ASN A 98 2.124 33.493 -15.468 1.00 0.00 N ATOM 1334 CA ASN A 98 2.420 32.193 -16.036 1.00 0.00 C ATOM 1335 C ASN A 98 2.804 31.171 -14.966 1.00 0.00 C ATOM 1336 O ASN A 98 3.211 31.524 -13.859 1.00 0.00 O ATOM 1337 CB ASN A 98 3.523 32.324 -17.096 1.00 0.00 C ATOM 1338 CG ASN A 98 3.034 32.950 -18.403 1.00 0.00 C ATOM 1339 OD1 ASN A 98 3.045 32.294 -19.442 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.614 34.219 -18.371 1.00 0.00 N ATOM 0 H ASN A 98 2.732 34.231 -15.822 1.00 0.00 H new ATOM 0 HA ASN A 98 1.513 31.821 -16.512 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.335 32.929 -16.693 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.935 31.337 -17.306 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.290 34.671 -19.226 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.618 34.735 -17.491 1.00 0.00 H new ATOM 1347 N PHE A 99 2.648 29.894 -15.331 1.00 0.00 N ATOM 1348 CA PHE A 99 2.925 28.731 -14.510 1.00 0.00 C ATOM 1349 C PHE A 99 3.971 27.864 -15.212 1.00 0.00 C ATOM 1350 O PHE A 99 3.865 27.641 -16.418 1.00 0.00 O ATOM 1351 CB PHE A 99 1.632 27.904 -14.378 1.00 0.00 C ATOM 1352 CG PHE A 99 0.815 28.119 -13.124 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.339 27.673 -11.902 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.450 28.734 -13.157 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.618 27.837 -10.708 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.177 28.900 -11.962 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.637 28.461 -10.738 1.00 0.00 C ATOM 0 H PHE A 99 2.307 29.640 -16.258 1.00 0.00 H new ATOM 0 HA PHE A 99 3.286 29.046 -13.531 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.999 28.122 -15.238 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.896 26.848 -14.436 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.309 27.198 -11.879 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.862 29.077 -14.095 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.028 27.485 -9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.151 29.365 -11.985 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.190 28.605 -9.822 1.00 0.00 H new ATOM 1367 N VAL A 100 4.977 27.389 -14.463 1.00 0.00 N ATOM 1368 CA VAL A 100 6.026 26.509 -14.972 1.00 0.00 C ATOM 1369 C VAL A 100 5.820 25.126 -14.361 1.00 0.00 C ATOM 1370 O VAL A 100 5.109 24.977 -13.368 1.00 0.00 O ATOM 1371 CB VAL A 100 7.450 27.037 -14.723 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.733 28.246 -15.617 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.738 27.348 -13.253 1.00 0.00 C ATOM 0 H VAL A 100 5.081 27.612 -13.473 1.00 0.00 H new ATOM 0 HA VAL A 100 5.940 26.462 -16.058 1.00 0.00 H new ATOM 0 HB VAL A 100 8.134 26.231 -14.989 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.744 28.608 -15.430 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.640 27.955 -16.663 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.017 29.038 -15.396 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.759 27.715 -13.152 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.042 28.109 -12.899 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.618 26.442 -12.659 1.00 0.00 H new ATOM 1383 N GLY A 101 6.461 24.120 -14.961 1.00 0.00 N ATOM 1384 CA GLY A 101 6.361 22.733 -14.544 1.00 0.00 C ATOM 1385 C GLY A 101 7.238 22.410 -13.337 1.00 0.00 C ATOM 1386 O GLY A 101 8.291 23.017 -13.144 1.00 0.00 O ATOM 0 H GLY A 101 7.074 24.257 -15.765 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.323 22.505 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.644 22.088 -15.376 1.00 0.00 H new ATOM 1390 N CYS A 102 6.774 21.449 -12.527 1.00 0.00 N ATOM 1391 CA CYS A 102 7.440 20.949 -11.332 1.00 0.00 C ATOM 1392 C CYS A 102 7.324 19.426 -11.303 1.00 0.00 C ATOM 1393 O CYS A 102 6.514 18.833 -12.013 1.00 0.00 O ATOM 1394 CB CYS A 102 6.797 21.555 -10.084 1.00 0.00 C ATOM 1395 SG CYS A 102 7.551 21.163 -8.486 1.00 0.00 S ATOM 0 H CYS A 102 5.884 20.983 -12.701 1.00 0.00 H new ATOM 0 HA CYS A 102 8.492 21.233 -11.348 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.795 22.639 -10.199 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.755 21.235 -10.053 1.00 0.00 H new ATOM 1400 N SER A 103 8.150 18.819 -10.451 1.00 0.00 N ATOM 1401 CA SER A 103 8.275 17.386 -10.208 1.00 0.00 C ATOM 1402 C SER A 103 8.342 16.572 -11.504 1.00 0.00 C ATOM 1403 O SER A 103 7.594 15.609 -11.675 1.00 0.00 O ATOM 1404 CB SER A 103 7.165 16.913 -9.257 1.00 0.00 C ATOM 1405 OG SER A 103 5.893 17.018 -9.858 1.00 0.00 O ATOM 0 H SER A 103 8.795 19.357 -9.872 1.00 0.00 H new ATOM 0 HA SER A 103 9.231 17.207 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.348 15.878 -8.968 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.188 17.508 -8.344 1.00 0.00 H new ATOM 0 HG SER A 103 5.971 17.502 -10.706 1.00 0.00 H new ATOM 1411 N GLY A 104 9.232 16.968 -12.423 1.00 0.00 N ATOM 1412 CA GLY A 104 9.426 16.291 -13.694 1.00 0.00 C ATOM 1413 C GLY A 104 8.298 16.622 -14.667 1.00 0.00 C ATOM 1414 O GLY A 104 7.532 15.740 -15.054 1.00 0.00 O ATOM 0 H GLY A 104 9.840 17.777 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.382 16.587 -14.126 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.469 15.214 -13.534 1.00 0.00 H new ATOM 1418 N THR A 105 8.197 17.902 -15.047 1.00 0.00 N ATOM 1419 CA THR A 105 7.204 18.418 -15.981 1.00 0.00 C ATOM 1420 C THR A 105 7.847 19.548 -16.782 1.00 0.00 C ATOM 1421 O THR A 105 8.494 20.421 -16.204 1.00 0.00 O ATOM 1422 CB THR A 105 5.964 18.911 -15.220 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.372 17.842 -14.512 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.910 19.521 -16.152 1.00 0.00 C ATOM 0 H THR A 105 8.827 18.625 -14.699 1.00 0.00 H new ATOM 0 HA THR A 105 6.876 17.632 -16.661 1.00 0.00 H new ATOM 0 HB THR A 105 6.305 19.686 -14.534 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.587 17.922 -13.559 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.054 19.854 -15.565 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.340 20.372 -16.681 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.585 18.772 -16.874 1.00 0.00 H new ATOM 1432 N ASN A 106 7.670 19.524 -18.110 1.00 0.00 N ATOM 1433 CA ASN A 106 8.205 20.533 -19.012 1.00 0.00 C ATOM 1434 C ASN A 106 7.204 21.684 -19.123 1.00 0.00 C ATOM 1435 O ASN A 106 7.361 22.644 -18.338 1.00 0.00 O ATOM 1436 CB ASN A 106 8.527 19.896 -20.373 1.00 0.00 C ATOM 1437 CG ASN A 106 9.392 20.813 -21.235 1.00 0.00 C ATOM 1438 OD1 ASN A 106 10.587 20.570 -21.391 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.799 21.868 -21.799 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.199 21.496 -19.844 1.00 0.00 O ATOM 0 H ASN A 106 7.144 18.791 -18.586 1.00 0.00 H new ATOM 0 HA ASN A 106 9.138 20.941 -18.623 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.043 18.948 -20.218 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.599 19.671 -20.898 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.340 22.506 -22.383 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.805 22.036 -21.646 1.00 0.00 H new