USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=30 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 90 THR OG1 : rot 56:sc= 1.34 USER MOD Set 1.2: A 92 THR OG1 : rot 95:sc= 0.0409 USER MOD Set 2.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 GLN : amide:sc= -2.61 K(o=-2.6,f=-3.3) USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= -0.0197 USER MOD Set 3.2: A 40 HIS : no HD1:sc= 0.448 K(o=0.43,f=-2.7!) USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0.00691 USER MOD Set 4.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 9 THR OG1 : rot -56:sc= 0.461 USER MOD Set 5.2: A 11 TYR OH : rot 125:sc= -0.201 USER MOD Set 6.1: A 5 THR OG1 : rot -101:sc= 0.895 USER MOD Set 6.2: A 10 ASN : amide:sc= 0.605 X(o=1.5,f=1.4) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -82:sc= 1.33 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.17) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.06) USER MOD Single : A 29 ASN : amide:sc= -0.345 K(o=-0.35,f=-4.6!) USER MOD Single : A 32 THR OG1 : rot 156:sc= 0.624 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.089 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.016) USER MOD Single : A 44 ASN : amide:sc= -0.725 X(o=-0.73,f=-0.3) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 150:sc= -0.0915 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -51:sc= 0.279 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.9 K(o=-1.9,f=-0.3) USER MOD Single : A 81 THR OG1 : rot -53:sc= 0.204 USER MOD Single : A 82 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.2) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 91 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-2.1) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= 0.307 X(o=0.31,f=0) USER MOD Single : A 103 SER OG : rot 65:sc= 1.07 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.451 11.910 -4.832 1.00 0.00 N ATOM 16 CA SER A 2 6.833 11.945 -4.373 1.00 0.00 C ATOM 17 C SER A 2 7.211 13.395 -4.067 1.00 0.00 C ATOM 18 O SER A 2 6.499 14.312 -4.474 1.00 0.00 O ATOM 19 CB SER A 2 7.723 11.349 -5.473 1.00 0.00 C ATOM 20 OG SER A 2 9.073 11.283 -5.064 1.00 0.00 O ATOM 0 HA SER A 2 6.966 11.359 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.369 10.350 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.644 11.955 -6.375 1.00 0.00 H new ATOM 0 HG SER A 2 9.615 10.898 -5.784 1.00 0.00 H new ATOM 26 N ALA A 3 8.319 13.605 -3.339 1.00 0.00 N ATOM 27 CA ALA A 3 8.813 14.933 -2.991 1.00 0.00 C ATOM 28 C ALA A 3 9.020 15.712 -4.285 1.00 0.00 C ATOM 29 O ALA A 3 9.752 15.254 -5.163 1.00 0.00 O ATOM 30 CB ALA A 3 10.106 14.828 -2.179 1.00 0.00 C ATOM 0 H ALA A 3 8.897 12.847 -2.976 1.00 0.00 H new ATOM 0 HA ALA A 3 8.092 15.459 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.460 15.828 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.916 14.270 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.864 14.311 -2.767 1.00 0.00 H new ATOM 36 N THR A 4 8.366 16.877 -4.394 1.00 0.00 N ATOM 37 CA THR A 4 8.427 17.715 -5.579 1.00 0.00 C ATOM 38 C THR A 4 8.736 19.169 -5.210 1.00 0.00 C ATOM 39 O THR A 4 8.034 19.776 -4.400 1.00 0.00 O ATOM 40 CB THR A 4 7.125 17.511 -6.376 1.00 0.00 C ATOM 41 OG1 THR A 4 7.306 17.924 -7.709 1.00 0.00 O ATOM 42 CG2 THR A 4 5.909 18.226 -5.778 1.00 0.00 C ATOM 0 H THR A 4 7.779 17.258 -3.652 1.00 0.00 H new ATOM 0 HA THR A 4 9.253 17.426 -6.229 1.00 0.00 H new ATOM 0 HB THR A 4 6.909 16.444 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.205 18.897 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.033 18.033 -6.397 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.729 17.856 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.099 19.299 -5.742 1.00 0.00 H new ATOM 50 N THR A 5 9.805 19.712 -5.808 1.00 0.00 N ATOM 51 CA THR A 5 10.309 21.054 -5.623 1.00 0.00 C ATOM 52 C THR A 5 9.973 21.824 -6.900 1.00 0.00 C ATOM 53 O THR A 5 10.266 21.339 -7.992 1.00 0.00 O ATOM 54 CB THR A 5 11.821 20.912 -5.377 1.00 0.00 C ATOM 55 OG1 THR A 5 12.056 20.712 -4.001 1.00 0.00 O ATOM 56 CG2 THR A 5 12.633 22.090 -5.903 1.00 0.00 C ATOM 0 H THR A 5 10.367 19.181 -6.473 1.00 0.00 H new ATOM 0 HA THR A 5 9.875 21.595 -4.782 1.00 0.00 H new ATOM 0 HB THR A 5 12.161 20.044 -5.942 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.357 21.552 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.690 21.924 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.484 22.183 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.306 23.006 -5.411 1.00 0.00 H new ATOM 64 N CYS A 6 9.361 23.009 -6.771 1.00 0.00 N ATOM 65 CA CYS A 6 8.971 23.821 -7.918 1.00 0.00 C ATOM 66 C CYS A 6 9.671 25.181 -7.870 1.00 0.00 C ATOM 67 O CYS A 6 9.181 26.122 -7.246 1.00 0.00 O ATOM 68 CB CYS A 6 7.441 23.941 -8.021 1.00 0.00 C ATOM 69 SG CYS A 6 6.384 22.663 -7.300 1.00 0.00 S ATOM 0 H CYS A 6 9.126 23.425 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 6 9.299 23.323 -8.830 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.159 24.890 -7.566 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.192 24.009 -9.080 1.00 0.00 H new ATOM 74 N GLY A 7 10.827 25.280 -8.541 1.00 0.00 N ATOM 75 CA GLY A 7 11.619 26.497 -8.613 1.00 0.00 C ATOM 76 C GLY A 7 12.318 26.744 -7.281 1.00 0.00 C ATOM 77 O GLY A 7 13.480 26.376 -7.117 1.00 0.00 O ATOM 0 H GLY A 7 11.237 24.500 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.357 26.413 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.978 27.344 -8.859 1.00 0.00 H new ATOM 81 N SER A 8 11.597 27.370 -6.341 1.00 0.00 N ATOM 82 CA SER A 8 12.071 27.686 -5.000 1.00 0.00 C ATOM 83 C SER A 8 11.266 26.923 -3.945 1.00 0.00 C ATOM 84 O SER A 8 11.799 26.659 -2.870 1.00 0.00 O ATOM 85 CB SER A 8 12.020 29.196 -4.752 1.00 0.00 C ATOM 86 OG SER A 8 12.763 29.884 -5.737 1.00 0.00 O ATOM 0 H SER A 8 10.638 27.677 -6.505 1.00 0.00 H new ATOM 0 HA SER A 8 13.110 27.368 -4.919 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.985 29.538 -4.764 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.419 29.422 -3.763 1.00 0.00 H new ATOM 0 HG SER A 8 12.719 30.848 -5.566 1.00 0.00 H new ATOM 92 N THR A 9 10.000 26.571 -4.228 1.00 0.00 N ATOM 93 CA THR A 9 9.180 25.823 -3.283 1.00 0.00 C ATOM 94 C THR A 9 9.749 24.422 -3.099 1.00 0.00 C ATOM 95 O THR A 9 10.422 23.903 -3.987 1.00 0.00 O ATOM 96 CB THR A 9 7.722 25.704 -3.738 1.00 0.00 C ATOM 97 OG1 THR A 9 7.629 25.191 -5.047 1.00 0.00 O ATOM 98 CG2 THR A 9 6.969 27.025 -3.615 1.00 0.00 C ATOM 0 H THR A 9 9.530 26.796 -5.105 1.00 0.00 H new ATOM 0 HA THR A 9 9.198 26.375 -2.343 1.00 0.00 H new ATOM 0 HB THR A 9 7.242 24.995 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.146 25.757 -5.658 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.940 26.890 -3.949 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.973 27.350 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.455 27.780 -4.233 1.00 0.00 H new ATOM 106 N ASN A 10 9.454 23.821 -1.943 1.00 0.00 N ATOM 107 CA ASN A 10 9.935 22.494 -1.592 1.00 0.00 C ATOM 108 C ASN A 10 8.861 21.707 -0.839 1.00 0.00 C ATOM 109 O ASN A 10 8.852 21.711 0.392 1.00 0.00 O ATOM 110 CB ASN A 10 11.229 22.601 -0.761 1.00 0.00 C ATOM 111 CG ASN A 10 12.337 23.392 -1.460 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.902 22.936 -2.451 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.659 24.579 -0.941 1.00 0.00 N ATOM 0 H ASN A 10 8.871 24.249 -1.224 1.00 0.00 H new ATOM 0 HA ASN A 10 10.160 21.951 -2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.001 23.076 0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.593 21.598 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.396 25.140 -1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.168 24.925 -0.117 1.00 0.00 H new ATOM 120 N TYR A 11 7.962 21.025 -1.567 1.00 0.00 N ATOM 121 CA TYR A 11 6.915 20.225 -0.941 1.00 0.00 C ATOM 122 C TYR A 11 7.428 18.799 -0.717 1.00 0.00 C ATOM 123 O TYR A 11 8.071 18.223 -1.596 1.00 0.00 O ATOM 124 CB TYR A 11 5.628 20.132 -1.785 1.00 0.00 C ATOM 125 CG TYR A 11 5.216 21.286 -2.680 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.321 22.630 -2.272 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.703 20.987 -3.954 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.929 23.660 -3.149 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.320 22.011 -4.830 1.00 0.00 C ATOM 130 CZ TYR A 11 4.438 23.349 -4.431 1.00 0.00 C ATOM 131 OH TYR A 11 4.073 24.337 -5.296 1.00 0.00 O ATOM 0 H TYR A 11 7.945 21.016 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 11 6.669 20.725 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.720 19.249 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.803 19.946 -1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.701 22.870 -1.290 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.603 19.956 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.005 24.691 -2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.935 21.770 -5.810 1.00 0.00 H new ATOM 0 HH TYR A 11 4.566 24.234 -6.137 1.00 0.00 H new ATOM 141 N SER A 12 7.138 18.233 0.458 1.00 0.00 N ATOM 142 CA SER A 12 7.502 16.873 0.827 1.00 0.00 C ATOM 143 C SER A 12 6.551 15.925 0.127 1.00 0.00 C ATOM 144 O SER A 12 5.462 16.326 -0.279 1.00 0.00 O ATOM 145 CB SER A 12 7.403 16.702 2.347 1.00 0.00 C ATOM 146 OG SER A 12 7.802 15.405 2.736 1.00 0.00 O ATOM 0 H SER A 12 6.631 18.725 1.193 1.00 0.00 H new ATOM 0 HA SER A 12 8.528 16.659 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.030 17.443 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.378 16.884 2.671 1.00 0.00 H new ATOM 0 HG SER A 12 7.732 15.320 3.710 1.00 0.00 H new ATOM 152 N ALA A 13 6.971 14.663 -0.028 1.00 0.00 N ATOM 153 CA ALA A 13 6.112 13.653 -0.619 1.00 0.00 C ATOM 154 C ALA A 13 4.860 13.549 0.259 1.00 0.00 C ATOM 155 O ALA A 13 3.825 13.063 -0.191 1.00 0.00 O ATOM 156 CB ALA A 13 6.836 12.302 -0.639 1.00 0.00 C ATOM 0 H ALA A 13 7.894 14.328 0.248 1.00 0.00 H new ATOM 0 HA ALA A 13 5.850 13.921 -1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.187 11.548 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.749 12.387 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.088 12.009 0.380 1.00 0.00 H new ATOM 162 N SER A 14 4.972 14.030 1.511 1.00 0.00 N ATOM 163 CA SER A 14 3.894 14.036 2.482 1.00 0.00 C ATOM 164 C SER A 14 2.853 15.079 2.072 1.00 0.00 C ATOM 165 O SER A 14 1.661 14.824 2.202 1.00 0.00 O ATOM 166 CB SER A 14 4.453 14.321 3.880 1.00 0.00 C ATOM 167 OG SER A 14 5.369 13.312 4.249 1.00 0.00 O ATOM 0 H SER A 14 5.838 14.431 1.870 1.00 0.00 H new ATOM 0 HA SER A 14 3.411 13.059 2.510 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.946 15.293 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.639 14.367 4.604 1.00 0.00 H new ATOM 0 HG SER A 14 5.723 13.502 5.143 1.00 0.00 H new ATOM 173 N GLN A 15 3.299 16.240 1.572 1.00 0.00 N ATOM 174 CA GLN A 15 2.439 17.335 1.144 1.00 0.00 C ATOM 175 C GLN A 15 1.683 17.014 -0.141 1.00 0.00 C ATOM 176 O GLN A 15 0.469 17.198 -0.196 1.00 0.00 O ATOM 177 CB GLN A 15 3.241 18.634 0.993 1.00 0.00 C ATOM 178 CG GLN A 15 3.401 19.382 2.319 1.00 0.00 C ATOM 179 CD GLN A 15 4.472 18.807 3.240 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.215 17.858 3.977 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.673 19.391 3.208 1.00 0.00 N ATOM 0 H GLN A 15 4.292 16.441 1.454 1.00 0.00 H new ATOM 0 HA GLN A 15 1.693 17.475 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.227 18.404 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.744 19.282 0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.641 20.424 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.446 19.375 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.841 20.177 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.422 19.051 3.812 1.00 0.00 H new ATOM 190 N VAL A 16 2.400 16.547 -1.166 1.00 0.00 N ATOM 191 CA VAL A 16 1.841 16.179 -2.459 1.00 0.00 C ATOM 192 C VAL A 16 0.721 15.157 -2.243 1.00 0.00 C ATOM 193 O VAL A 16 -0.375 15.300 -2.781 1.00 0.00 O ATOM 194 CB VAL A 16 2.918 15.584 -3.376 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.365 15.386 -4.783 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.127 16.514 -3.492 1.00 0.00 C ATOM 0 H VAL A 16 3.410 16.413 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 16 1.446 17.074 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 16 3.219 14.633 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.140 14.963 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.514 14.706 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.045 16.347 -5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.871 16.063 -4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.811 17.472 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.561 16.671 -2.505 1.00 0.00 H new ATOM 206 N ARG A 17 1.023 14.133 -1.431 1.00 0.00 N ATOM 207 CA ARG A 17 0.131 13.033 -1.103 1.00 0.00 C ATOM 208 C ARG A 17 -1.029 13.443 -0.191 1.00 0.00 C ATOM 209 O ARG A 17 -2.151 13.006 -0.423 1.00 0.00 O ATOM 210 CB ARG A 17 0.954 11.899 -0.483 1.00 0.00 C ATOM 211 CG ARG A 17 0.130 10.620 -0.298 1.00 0.00 C ATOM 212 CD ARG A 17 1.018 9.470 0.201 1.00 0.00 C ATOM 213 NE ARG A 17 0.481 8.871 1.429 1.00 0.00 N ATOM 214 CZ ARG A 17 0.911 7.727 1.988 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.899 7.011 1.430 1.00 0.00 N ATOM 216 NH2 ARG A 17 0.344 7.298 3.124 1.00 0.00 N ATOM 0 H ARG A 17 1.931 14.054 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.338 12.694 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.814 11.687 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.344 12.221 0.483 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.675 10.800 0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.337 10.342 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.097 8.707 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.026 9.841 0.386 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.281 9.363 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.337 7.333 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.212 6.145 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.406 7.838 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.662 6.431 3.557 1.00 0.00 H new ATOM 230 N ALA A 18 -0.781 14.273 0.833 1.00 0.00 N ATOM 231 CA ALA A 18 -1.815 14.704 1.773 1.00 0.00 C ATOM 232 C ALA A 18 -2.860 15.562 1.067 1.00 0.00 C ATOM 233 O ALA A 18 -4.057 15.288 1.159 1.00 0.00 O ATOM 234 CB ALA A 18 -1.196 15.470 2.945 1.00 0.00 C ATOM 0 H ALA A 18 0.142 14.661 1.029 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.308 13.815 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.983 15.781 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.491 14.825 3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.673 16.350 2.569 1.00 0.00 H new ATOM 240 N ALA A 19 -2.395 16.596 0.358 1.00 0.00 N ATOM 241 CA ALA A 19 -3.249 17.504 -0.388 1.00 0.00 C ATOM 242 C ALA A 19 -4.024 16.754 -1.461 1.00 0.00 C ATOM 243 O ALA A 19 -5.178 17.088 -1.718 1.00 0.00 O ATOM 244 CB ALA A 19 -2.414 18.596 -1.045 1.00 0.00 C ATOM 0 H ALA A 19 -1.403 16.822 0.290 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.953 17.955 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.067 19.269 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.882 19.158 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.695 18.143 -1.727 1.00 0.00 H new ATOM 250 N ALA A 20 -3.393 15.755 -2.092 1.00 0.00 N ATOM 251 CA ALA A 20 -4.058 14.978 -3.121 1.00 0.00 C ATOM 252 C ALA A 20 -5.098 14.047 -2.538 1.00 0.00 C ATOM 253 O ALA A 20 -6.152 13.888 -3.141 1.00 0.00 O ATOM 254 CB ALA A 20 -3.058 14.260 -4.028 1.00 0.00 C ATOM 0 H ALA A 20 -2.431 15.475 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.599 15.677 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.597 13.690 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.417 14.994 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.446 13.583 -3.431 1.00 0.00 H new ATOM 260 N ASN A 21 -4.816 13.432 -1.386 1.00 0.00 N ATOM 261 CA ASN A 21 -5.765 12.559 -0.722 1.00 0.00 C ATOM 262 C ASN A 21 -6.951 13.409 -0.232 1.00 0.00 C ATOM 263 O ASN A 21 -8.051 12.887 -0.031 1.00 0.00 O ATOM 264 CB ASN A 21 -5.063 11.854 0.447 1.00 0.00 C ATOM 265 CG ASN A 21 -5.995 10.898 1.189 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.315 11.120 2.354 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.430 9.831 0.514 1.00 0.00 N ATOM 0 H ASN A 21 -3.926 13.530 -0.896 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.139 11.796 -1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.202 11.301 0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.682 12.601 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.053 9.161 0.965 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.139 9.686 -0.453 1.00 0.00 H new ATOM 274 N ALA A 22 -6.733 14.728 -0.067 1.00 0.00 N ATOM 275 CA ALA A 22 -7.764 15.626 0.431 1.00 0.00 C ATOM 276 C ALA A 22 -8.658 15.922 -0.757 1.00 0.00 C ATOM 277 O ALA A 22 -9.835 15.581 -0.738 1.00 0.00 O ATOM 278 CB ALA A 22 -7.152 16.881 1.055 1.00 0.00 C ATOM 0 H ALA A 22 -5.845 15.185 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.346 15.179 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.947 17.532 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.508 16.597 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.564 17.410 0.305 1.00 0.00 H new ATOM 284 N ALA A 23 -8.077 16.569 -1.774 1.00 0.00 N ATOM 285 CA ALA A 23 -8.722 16.905 -3.039 1.00 0.00 C ATOM 286 C ALA A 23 -9.476 15.701 -3.625 1.00 0.00 C ATOM 287 O ALA A 23 -10.541 15.866 -4.211 1.00 0.00 O ATOM 288 CB ALA A 23 -7.646 17.353 -4.024 1.00 0.00 C ATOM 0 H ALA A 23 -7.107 16.883 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.447 17.700 -2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.109 17.609 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.129 18.226 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.930 16.545 -4.174 1.00 0.00 H new ATOM 294 N CYS A 24 -8.903 14.497 -3.469 1.00 0.00 N ATOM 295 CA CYS A 24 -9.442 13.215 -3.914 1.00 0.00 C ATOM 296 C CYS A 24 -10.793 12.991 -3.249 1.00 0.00 C ATOM 297 O CYS A 24 -11.809 12.896 -3.934 1.00 0.00 O ATOM 298 CB CYS A 24 -8.455 12.100 -3.525 1.00 0.00 C ATOM 299 SG CYS A 24 -9.048 10.411 -3.226 1.00 0.00 S ATOM 0 H CYS A 24 -8.002 14.393 -3.003 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.576 13.208 -4.996 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.706 12.043 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.941 12.426 -2.621 1.00 0.00 H new ATOM 304 N GLN A 25 -10.799 12.920 -1.913 1.00 0.00 N ATOM 305 CA GLN A 25 -12.022 12.688 -1.162 1.00 0.00 C ATOM 306 C GLN A 25 -13.034 13.825 -1.347 1.00 0.00 C ATOM 307 O GLN A 25 -14.233 13.565 -1.417 1.00 0.00 O ATOM 308 CB GLN A 25 -11.677 12.446 0.311 1.00 0.00 C ATOM 309 CG GLN A 25 -10.912 11.123 0.466 1.00 0.00 C ATOM 310 CD GLN A 25 -10.535 10.856 1.918 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.412 11.137 2.333 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.473 10.303 2.692 1.00 0.00 N ATOM 0 H GLN A 25 -9.965 13.021 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.510 11.795 -1.552 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.073 13.270 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.590 12.419 0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.525 10.303 0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.010 11.151 -0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.391 10.087 2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.271 10.097 3.670 1.00 0.00 H new ATOM 321 N TYR A 26 -12.557 15.074 -1.441 1.00 0.00 N ATOM 322 CA TYR A 26 -13.380 16.266 -1.593 1.00 0.00 C ATOM 323 C TYR A 26 -14.099 16.297 -2.942 1.00 0.00 C ATOM 324 O TYR A 26 -15.276 16.645 -2.996 1.00 0.00 O ATOM 325 CB TYR A 26 -12.531 17.536 -1.429 1.00 0.00 C ATOM 326 CG TYR A 26 -11.857 17.788 -0.088 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.098 16.977 1.041 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.972 18.878 0.023 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.460 17.255 2.261 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.335 19.158 1.245 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.582 18.347 2.366 1.00 0.00 C ATOM 332 OH TYR A 26 -9.963 18.608 3.554 1.00 0.00 O ATOM 0 H TYR A 26 -11.559 15.281 -1.412 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.136 16.233 -0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.754 17.517 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.169 18.392 -1.646 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.776 16.139 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.781 19.503 -0.837 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.645 16.628 3.121 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.657 19.995 1.322 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.389 19.396 3.457 1.00 0.00 H new ATOM 342 N TYR A 27 -13.407 15.946 -4.033 1.00 0.00 N ATOM 343 CA TYR A 27 -14.008 15.962 -5.361 1.00 0.00 C ATOM 344 C TYR A 27 -14.973 14.789 -5.563 1.00 0.00 C ATOM 345 O TYR A 27 -15.918 14.909 -6.342 1.00 0.00 O ATOM 346 CB TYR A 27 -12.944 16.048 -6.470 1.00 0.00 C ATOM 347 CG TYR A 27 -13.538 16.424 -7.821 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.240 17.638 -7.963 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.405 15.567 -8.931 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.815 17.988 -9.197 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.982 15.920 -10.163 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.698 17.122 -10.295 1.00 0.00 C ATOM 353 OH TYR A 27 -15.267 17.458 -11.489 1.00 0.00 O ATOM 0 H TYR A 27 -12.431 15.649 -4.016 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.605 16.871 -5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.191 16.785 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.434 15.088 -6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.337 18.304 -7.118 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.860 14.639 -8.835 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.346 18.923 -9.300 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.874 15.263 -11.014 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.092 16.751 -12.145 1.00 0.00 H new ATOM 363 N GLN A 28 -14.749 13.670 -4.859 1.00 0.00 N ATOM 364 CA GLN A 28 -15.561 12.463 -4.953 1.00 0.00 C ATOM 365 C GLN A 28 -16.746 12.455 -3.976 1.00 0.00 C ATOM 366 O GLN A 28 -17.391 11.416 -3.838 1.00 0.00 O ATOM 367 CB GLN A 28 -14.664 11.230 -4.755 1.00 0.00 C ATOM 368 CG GLN A 28 -13.602 11.095 -5.856 1.00 0.00 C ATOM 369 CD GLN A 28 -14.199 10.784 -7.227 1.00 0.00 C ATOM 370 OE1 GLN A 28 -14.239 11.652 -8.098 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.655 9.544 -7.424 1.00 0.00 N ATOM 0 H GLN A 28 -13.979 13.584 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.004 12.438 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.171 11.295 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.283 10.333 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.030 12.021 -5.917 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -12.902 10.305 -5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.602 8.856 -6.673 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.056 9.285 -8.325 1.00 0.00 H new ATOM 380 N ASN A 29 -17.040 13.576 -3.297 1.00 0.00 N ATOM 381 CA ASN A 29 -18.165 13.679 -2.366 1.00 0.00 C ATOM 382 C ASN A 29 -18.994 14.934 -2.661 1.00 0.00 C ATOM 383 O ASN A 29 -19.370 15.679 -1.759 1.00 0.00 O ATOM 384 CB ASN A 29 -17.716 13.511 -0.901 1.00 0.00 C ATOM 385 CG ASN A 29 -16.829 14.624 -0.341 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.717 15.702 -0.914 1.00 0.00 O ATOM 387 ND2 ASN A 29 -16.195 14.362 0.806 1.00 0.00 N ATOM 0 H ASN A 29 -16.499 14.437 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.844 12.842 -2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.605 13.433 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -17.180 12.566 -0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.596 15.070 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.310 13.454 1.257 1.00 0.00 H new ATOM 394 N ASP A 30 -19.277 15.141 -3.953 1.00 0.00 N ATOM 395 CA ASP A 30 -20.059 16.237 -4.512 1.00 0.00 C ATOM 396 C ASP A 30 -19.343 17.588 -4.442 1.00 0.00 C ATOM 397 O ASP A 30 -19.974 18.620 -4.215 1.00 0.00 O ATOM 398 CB ASP A 30 -21.486 16.270 -3.937 1.00 0.00 C ATOM 399 CG ASP A 30 -22.183 14.919 -4.079 1.00 0.00 C ATOM 400 OD1 ASP A 30 -22.601 14.613 -5.217 1.00 0.00 O ATOM 401 OD2 ASP A 30 -22.280 14.215 -3.050 1.00 0.00 O ATOM 0 H ASP A 30 -18.942 14.505 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.161 16.035 -5.578 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.448 16.551 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.068 17.035 -4.451 1.00 0.00 H new ATOM 406 N ASP A 31 -18.022 17.564 -4.651 1.00 0.00 N ATOM 407 CA ASP A 31 -17.123 18.715 -4.670 1.00 0.00 C ATOM 408 C ASP A 31 -17.088 19.529 -3.370 1.00 0.00 C ATOM 409 O ASP A 31 -17.817 19.245 -2.420 1.00 0.00 O ATOM 410 CB ASP A 31 -17.436 19.613 -5.885 1.00 0.00 C ATOM 411 CG ASP A 31 -17.624 18.855 -7.203 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.165 17.695 -7.293 1.00 0.00 O ATOM 413 OD2 ASP A 31 -18.228 19.462 -8.114 1.00 0.00 O ATOM 0 H ASP A 31 -17.527 16.689 -4.821 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.117 18.305 -4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.341 20.183 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.627 20.333 -6.007 1.00 0.00 H new ATOM 418 N THR A 32 -16.204 20.540 -3.365 1.00 0.00 N ATOM 419 CA THR A 32 -15.923 21.520 -2.318 1.00 0.00 C ATOM 420 C THR A 32 -16.337 21.118 -0.897 1.00 0.00 C ATOM 421 O THR A 32 -17.368 21.558 -0.391 1.00 0.00 O ATOM 422 CB THR A 32 -16.394 22.917 -2.750 1.00 0.00 C ATOM 423 OG1 THR A 32 -16.121 23.866 -1.739 1.00 0.00 O ATOM 424 CG2 THR A 32 -17.874 22.947 -3.123 1.00 0.00 C ATOM 0 H THR A 32 -15.612 20.702 -4.179 1.00 0.00 H new ATOM 0 HA THR A 32 -14.838 21.553 -2.218 1.00 0.00 H new ATOM 0 HB THR A 32 -15.833 23.177 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.056 24.759 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.154 23.958 -3.420 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.054 22.262 -3.951 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.472 22.643 -2.264 1.00 0.00 H new ATOM 432 N ALA A 33 -15.511 20.283 -0.256 1.00 0.00 N ATOM 433 CA ALA A 33 -15.725 19.815 1.105 1.00 0.00 C ATOM 434 C ALA A 33 -14.702 20.505 2.002 1.00 0.00 C ATOM 435 O ALA A 33 -13.549 20.085 2.082 1.00 0.00 O ATOM 436 CB ALA A 33 -15.609 18.295 1.172 1.00 0.00 C ATOM 0 H ALA A 33 -14.662 19.911 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 33 -16.730 20.065 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.772 17.963 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.358 17.844 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.614 17.991 0.846 1.00 0.00 H new ATOM 442 N GLY A 34 -15.146 21.577 2.667 1.00 0.00 N ATOM 443 CA GLY A 34 -14.333 22.388 3.558 1.00 0.00 C ATOM 444 C GLY A 34 -13.174 23.039 2.803 1.00 0.00 C ATOM 445 O GLY A 34 -12.020 22.885 3.201 1.00 0.00 O ATOM 0 H GLY A 34 -16.108 21.907 2.593 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.951 23.159 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.943 21.768 4.365 1.00 0.00 H new ATOM 449 N SER A 35 -13.486 23.753 1.713 1.00 0.00 N ATOM 450 CA SER A 35 -12.517 24.447 0.882 1.00 0.00 C ATOM 451 C SER A 35 -13.125 25.791 0.470 1.00 0.00 C ATOM 452 O SER A 35 -13.347 26.641 1.331 1.00 0.00 O ATOM 453 CB SER A 35 -12.121 23.546 -0.293 1.00 0.00 C ATOM 454 OG SER A 35 -11.527 22.351 0.167 1.00 0.00 O ATOM 0 H SER A 35 -14.445 23.861 1.384 1.00 0.00 H new ATOM 0 HA SER A 35 -11.591 24.663 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.002 23.312 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.426 24.075 -0.944 1.00 0.00 H new ATOM 0 HG SER A 35 -11.284 21.791 -0.599 1.00 0.00 H new ATOM 460 N SER A 36 -13.384 25.996 -0.829 1.00 0.00 N ATOM 461 CA SER A 36 -13.985 27.210 -1.360 1.00 0.00 C ATOM 462 C SER A 36 -14.605 26.843 -2.708 1.00 0.00 C ATOM 463 O SER A 36 -15.806 26.594 -2.789 1.00 0.00 O ATOM 464 CB SER A 36 -12.936 28.329 -1.445 1.00 0.00 C ATOM 465 OG SER A 36 -13.484 29.470 -2.070 1.00 0.00 O ATOM 0 H SER A 36 -13.174 25.304 -1.548 1.00 0.00 H new ATOM 0 HA SER A 36 -14.768 27.602 -0.711 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.587 28.586 -0.445 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.068 27.981 -2.005 1.00 0.00 H new ATOM 0 HG SER A 36 -12.805 30.176 -2.116 1.00 0.00 H new ATOM 471 N THR A 37 -13.775 26.818 -3.755 1.00 0.00 N ATOM 472 CA THR A 37 -14.136 26.466 -5.121 1.00 0.00 C ATOM 473 C THR A 37 -13.378 25.186 -5.483 1.00 0.00 C ATOM 474 O THR A 37 -13.953 24.265 -6.055 1.00 0.00 O ATOM 475 CB THR A 37 -13.809 27.626 -6.074 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.435 27.945 -6.029 1.00 0.00 O ATOM 477 CG2 THR A 37 -14.622 28.879 -5.737 1.00 0.00 C ATOM 0 H THR A 37 -12.787 27.055 -3.663 1.00 0.00 H new ATOM 0 HA THR A 37 -15.207 26.286 -5.212 1.00 0.00 H new ATOM 0 HB THR A 37 -14.073 27.293 -7.078 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.251 28.685 -6.645 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.364 29.678 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.686 28.656 -5.820 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.396 29.196 -4.719 1.00 0.00 H new ATOM 485 N TYR A 38 -12.090 25.142 -5.125 1.00 0.00 N ATOM 486 CA TYR A 38 -11.165 24.039 -5.341 1.00 0.00 C ATOM 487 C TYR A 38 -11.620 22.900 -4.416 1.00 0.00 C ATOM 488 O TYR A 38 -11.870 23.164 -3.243 1.00 0.00 O ATOM 489 CB TYR A 38 -9.729 24.484 -4.973 1.00 0.00 C ATOM 490 CG TYR A 38 -9.230 25.811 -5.548 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.654 27.027 -4.975 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.340 25.847 -6.644 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.220 28.255 -5.497 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.905 27.076 -7.167 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.349 28.283 -6.599 1.00 0.00 C ATOM 496 OH TYR A 38 -7.933 29.481 -7.106 1.00 0.00 O ATOM 0 H TYR A 38 -11.645 25.926 -4.648 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.161 23.719 -6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.663 24.543 -3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.042 23.700 -5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.320 27.013 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.992 24.924 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.556 29.180 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.228 27.094 -8.008 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.904 30.148 -6.388 1.00 0.00 H new ATOM 506 N PRO A 39 -11.751 21.646 -4.881 1.00 0.00 N ATOM 507 CA PRO A 39 -11.498 21.167 -6.229 1.00 0.00 C ATOM 508 C PRO A 39 -12.576 21.585 -7.233 1.00 0.00 C ATOM 509 O PRO A 39 -13.769 21.518 -6.941 1.00 0.00 O ATOM 510 CB PRO A 39 -11.423 19.643 -6.101 1.00 0.00 C ATOM 511 CG PRO A 39 -12.380 19.353 -4.944 1.00 0.00 C ATOM 512 CD PRO A 39 -12.168 20.549 -4.023 1.00 0.00 C ATOM 0 HA PRO A 39 -10.580 21.602 -6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.735 19.144 -7.019 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.410 19.305 -5.883 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.414 19.281 -5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.141 18.413 -4.447 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.085 20.798 -3.489 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.410 20.332 -3.270 1.00 0.00 H new ATOM 520 N HIS A 40 -12.125 22.007 -8.423 1.00 0.00 N ATOM 521 CA HIS A 40 -12.948 22.443 -9.542 1.00 0.00 C ATOM 522 C HIS A 40 -12.145 22.368 -10.841 1.00 0.00 C ATOM 523 O HIS A 40 -10.926 22.533 -10.832 1.00 0.00 O ATOM 524 CB HIS A 40 -13.513 23.853 -9.327 1.00 0.00 C ATOM 525 CG HIS A 40 -12.502 24.962 -9.131 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.855 26.296 -9.271 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.161 24.984 -8.818 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.758 27.033 -9.033 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.691 26.291 -8.743 1.00 0.00 N ATOM 0 H HIS A 40 -11.128 22.053 -8.633 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.802 21.769 -9.612 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.135 24.106 -10.186 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.167 23.829 -8.455 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.556 24.105 -8.653 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.743 28.112 -9.073 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.748 26.608 -8.518 1.00 0.00 H new ATOM 537 N THR A 41 -12.851 22.127 -11.955 1.00 0.00 N ATOM 538 CA THR A 41 -12.337 21.990 -13.303 1.00 0.00 C ATOM 539 C THR A 41 -11.359 23.100 -13.698 1.00 0.00 C ATOM 540 O THR A 41 -11.557 24.262 -13.348 1.00 0.00 O ATOM 541 CB THR A 41 -13.527 21.934 -14.275 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.628 21.246 -13.709 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.120 21.180 -15.535 1.00 0.00 C ATOM 0 H THR A 41 -13.865 22.017 -11.923 1.00 0.00 H new ATOM 0 HA THR A 41 -11.759 21.067 -13.350 1.00 0.00 H new ATOM 0 HB THR A 41 -13.814 22.962 -14.498 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.368 21.229 -14.351 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.964 21.140 -16.224 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.285 21.693 -16.013 1.00 0.00 H new ATOM 0 HG23 THR A 41 -12.819 20.166 -15.271 1.00 0.00 H new ATOM 551 N TYR A 42 -10.310 22.717 -14.438 1.00 0.00 N ATOM 552 CA TYR A 42 -9.244 23.586 -14.919 1.00 0.00 C ATOM 553 C TYR A 42 -9.327 23.652 -16.445 1.00 0.00 C ATOM 554 O TYR A 42 -8.828 22.758 -17.126 1.00 0.00 O ATOM 555 CB TYR A 42 -7.916 22.982 -14.438 1.00 0.00 C ATOM 556 CG TYR A 42 -6.634 23.781 -14.633 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.624 25.190 -14.635 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.422 23.084 -14.802 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.414 25.888 -14.803 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.213 23.781 -14.973 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.208 25.185 -14.969 1.00 0.00 C ATOM 562 OH TYR A 42 -3.035 25.866 -15.125 1.00 0.00 O ATOM 0 H TYR A 42 -10.182 21.747 -14.727 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.329 24.604 -14.538 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.015 22.772 -13.373 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.788 22.024 -14.941 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.547 25.735 -14.507 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.421 22.004 -14.800 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.412 26.968 -14.804 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.290 23.237 -15.107 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.298 25.229 -15.226 1.00 0.00 H new ATOM 572 N ASN A 43 -9.965 24.699 -16.988 1.00 0.00 N ATOM 573 CA ASN A 43 -10.127 24.861 -18.431 1.00 0.00 C ATOM 574 C ASN A 43 -10.382 26.320 -18.832 1.00 0.00 C ATOM 575 O ASN A 43 -11.101 26.578 -19.796 1.00 0.00 O ATOM 576 CB ASN A 43 -11.242 23.923 -18.935 1.00 0.00 C ATOM 577 CG ASN A 43 -12.638 24.330 -18.455 1.00 0.00 C ATOM 578 OD1 ASN A 43 -13.465 24.764 -19.254 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.912 24.188 -17.155 1.00 0.00 N ATOM 0 H ASN A 43 -10.380 25.451 -16.438 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.189 24.582 -18.912 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.230 23.908 -20.025 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.032 22.907 -18.600 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.832 24.443 -16.797 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.201 23.824 -16.521 1.00 0.00 H new ATOM 586 N ASN A 44 -9.790 27.279 -18.108 1.00 0.00 N ATOM 587 CA ASN A 44 -9.946 28.701 -18.392 1.00 0.00 C ATOM 588 C ASN A 44 -9.313 29.074 -19.737 1.00 0.00 C ATOM 589 O ASN A 44 -9.963 29.706 -20.568 1.00 0.00 O ATOM 590 CB ASN A 44 -9.409 29.555 -17.233 1.00 0.00 C ATOM 591 CG ASN A 44 -7.912 29.376 -16.977 1.00 0.00 C ATOM 592 OD1 ASN A 44 -7.101 30.173 -17.444 1.00 0.00 O ATOM 593 ND2 ASN A 44 -7.540 28.333 -16.230 1.00 0.00 N ATOM 0 H ASN A 44 -9.189 27.084 -17.308 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.011 28.916 -18.479 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.609 30.605 -17.445 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.956 29.303 -16.325 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.552 28.176 -16.029 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.244 27.694 -15.860 1.00 0.00 H new ATOM 600 N TYR A 45 -8.053 28.673 -19.949 1.00 0.00 N ATOM 601 CA TYR A 45 -7.295 28.922 -21.164 1.00 0.00 C ATOM 602 C TYR A 45 -6.133 27.928 -21.170 1.00 0.00 C ATOM 603 O TYR A 45 -5.072 28.212 -20.617 1.00 0.00 O ATOM 604 CB TYR A 45 -6.830 30.390 -21.200 1.00 0.00 C ATOM 605 CG TYR A 45 -5.959 30.812 -22.374 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.066 30.187 -23.632 1.00 0.00 C ATOM 607 CD2 TYR A 45 -5.034 31.861 -22.201 1.00 0.00 C ATOM 608 CE1 TYR A 45 -5.244 30.592 -24.697 1.00 0.00 C ATOM 609 CE2 TYR A 45 -4.225 32.279 -23.272 1.00 0.00 C ATOM 610 CZ TYR A 45 -4.324 31.640 -24.519 1.00 0.00 C ATOM 611 OH TYR A 45 -3.533 32.043 -25.555 1.00 0.00 O ATOM 0 H TYR A 45 -7.523 28.150 -19.252 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.895 28.776 -22.062 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.715 31.026 -21.190 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.281 30.594 -20.281 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.783 29.393 -23.778 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.946 32.346 -21.240 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.319 30.097 -25.654 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.527 33.092 -23.136 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.957 32.778 -25.260 1.00 0.00 H new ATOM 621 N GLU A 46 -6.360 26.762 -21.791 1.00 0.00 N ATOM 622 CA GLU A 46 -5.422 25.649 -21.907 1.00 0.00 C ATOM 623 C GLU A 46 -5.254 24.937 -20.558 1.00 0.00 C ATOM 624 O GLU A 46 -5.751 25.408 -19.534 1.00 0.00 O ATOM 625 CB GLU A 46 -4.077 26.057 -22.537 1.00 0.00 C ATOM 626 CG GLU A 46 -4.233 26.782 -23.881 1.00 0.00 C ATOM 627 CD GLU A 46 -5.037 25.968 -24.893 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.499 24.937 -25.350 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.179 26.388 -25.184 1.00 0.00 O ATOM 0 H GLU A 46 -7.250 26.565 -22.248 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.855 24.933 -22.606 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.540 26.704 -21.843 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.466 25.166 -22.681 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.724 27.741 -23.718 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.246 26.995 -24.292 1.00 0.00 H new ATOM 636 N GLY A 47 -4.558 23.791 -20.565 1.00 0.00 N ATOM 637 CA GLY A 47 -4.320 22.974 -19.382 1.00 0.00 C ATOM 638 C GLY A 47 -2.851 22.674 -19.104 1.00 0.00 C ATOM 639 O GLY A 47 -2.578 21.859 -18.222 1.00 0.00 O ATOM 0 H GLY A 47 -4.140 23.405 -21.412 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.744 23.481 -18.515 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.855 22.031 -19.494 1.00 0.00 H new ATOM 643 N PHE A 48 -1.909 23.297 -19.833 1.00 0.00 N ATOM 644 CA PHE A 48 -0.478 23.087 -19.636 1.00 0.00 C ATOM 645 C PHE A 48 -0.117 21.624 -19.926 1.00 0.00 C ATOM 646 O PHE A 48 -0.843 20.924 -20.632 1.00 0.00 O ATOM 647 CB PHE A 48 -0.086 23.616 -18.237 1.00 0.00 C ATOM 648 CG PHE A 48 1.388 23.898 -17.992 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.094 24.789 -18.822 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.052 23.269 -16.922 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.460 25.033 -18.595 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.416 23.515 -16.692 1.00 0.00 C ATOM 653 CZ PHE A 48 4.121 24.389 -17.535 1.00 0.00 C ATOM 0 H PHE A 48 -2.127 23.961 -20.576 1.00 0.00 H new ATOM 0 HA PHE A 48 0.122 23.657 -20.345 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.641 24.536 -18.055 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.420 22.890 -17.495 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.585 25.286 -19.635 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.511 22.594 -16.275 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.001 25.715 -19.235 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.921 23.033 -15.868 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.173 24.567 -17.369 1.00 0.00 H new ATOM 663 N ASP A 49 1.019 21.175 -19.391 1.00 0.00 N ATOM 664 CA ASP A 49 1.545 19.819 -19.516 1.00 0.00 C ATOM 665 C ASP A 49 0.604 18.769 -18.904 1.00 0.00 C ATOM 666 O ASP A 49 -0.513 19.090 -18.497 1.00 0.00 O ATOM 667 CB ASP A 49 2.955 19.782 -18.909 1.00 0.00 C ATOM 668 CG ASP A 49 3.878 20.780 -19.605 1.00 0.00 C ATOM 669 OD1 ASP A 49 4.017 20.661 -20.842 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.423 21.649 -18.894 1.00 0.00 O ATOM 0 H ASP A 49 1.624 21.777 -18.833 1.00 0.00 H new ATOM 0 HA ASP A 49 1.610 19.553 -20.571 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.903 20.011 -17.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.367 18.777 -18.999 1.00 0.00 H new ATOM 675 N PHE A 50 1.066 17.510 -18.834 1.00 0.00 N ATOM 676 CA PHE A 50 0.329 16.359 -18.325 1.00 0.00 C ATOM 677 C PHE A 50 -1.045 16.249 -19.004 1.00 0.00 C ATOM 678 O PHE A 50 -2.072 16.370 -18.339 1.00 0.00 O ATOM 679 CB PHE A 50 0.315 16.297 -16.783 1.00 0.00 C ATOM 680 CG PHE A 50 -0.077 17.555 -16.025 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.906 18.513 -15.715 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.409 17.771 -15.618 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.561 19.684 -15.021 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.754 18.944 -14.924 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.769 19.901 -14.624 1.00 0.00 C ATOM 0 H PHE A 50 2.005 17.264 -19.146 1.00 0.00 H new ATOM 0 HA PHE A 50 0.863 15.451 -18.604 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.368 15.501 -16.486 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.311 16.003 -16.451 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.931 18.347 -16.012 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.166 17.034 -15.840 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.319 20.419 -14.792 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.777 19.110 -14.621 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.034 20.801 -14.089 1.00 0.00 H new ATOM 695 N PRO A 51 -1.078 16.030 -20.333 1.00 0.00 N ATOM 696 CA PRO A 51 -2.307 15.897 -21.098 1.00 0.00 C ATOM 697 C PRO A 51 -2.985 14.564 -20.775 1.00 0.00 C ATOM 698 O PRO A 51 -2.471 13.502 -21.120 1.00 0.00 O ATOM 699 CB PRO A 51 -1.885 15.988 -22.567 1.00 0.00 C ATOM 700 CG PRO A 51 -0.462 15.431 -22.561 1.00 0.00 C ATOM 701 CD PRO A 51 0.077 15.908 -21.213 1.00 0.00 C ATOM 0 HA PRO A 51 -3.036 16.671 -20.859 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.543 15.404 -23.211 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.913 17.015 -22.930 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.452 14.344 -22.640 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.128 15.816 -23.393 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.800 15.199 -20.810 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.591 16.864 -21.315 1.00 0.00 H new ATOM 709 N VAL A 52 -4.139 14.638 -20.102 1.00 0.00 N ATOM 710 CA VAL A 52 -4.946 13.497 -19.691 1.00 0.00 C ATOM 711 C VAL A 52 -6.371 13.653 -20.226 1.00 0.00 C ATOM 712 O VAL A 52 -6.736 14.707 -20.746 1.00 0.00 O ATOM 713 CB VAL A 52 -4.958 13.389 -18.154 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.565 13.091 -17.585 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.525 14.660 -17.509 1.00 0.00 C ATOM 0 H VAL A 52 -4.546 15.530 -19.821 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.515 12.584 -20.101 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.609 12.550 -17.908 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.622 13.024 -16.499 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.202 12.146 -17.988 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.879 13.891 -17.863 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.520 14.551 -16.424 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.912 15.516 -17.791 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.547 14.817 -17.853 1.00 0.00 H new ATOM 725 N ASP A 53 -7.174 12.590 -20.092 1.00 0.00 N ATOM 726 CA ASP A 53 -8.563 12.573 -20.520 1.00 0.00 C ATOM 727 C ASP A 53 -9.358 13.561 -19.664 1.00 0.00 C ATOM 728 O ASP A 53 -9.971 14.486 -20.195 1.00 0.00 O ATOM 729 CB ASP A 53 -9.116 11.148 -20.405 1.00 0.00 C ATOM 730 CG ASP A 53 -10.581 11.079 -20.827 1.00 0.00 C ATOM 731 OD1 ASP A 53 -10.827 11.181 -22.048 1.00 0.00 O ATOM 732 OD2 ASP A 53 -11.429 10.933 -19.921 1.00 0.00 O ATOM 0 H ASP A 53 -6.866 11.711 -19.677 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.647 12.879 -21.563 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.525 10.476 -21.028 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.016 10.800 -19.377 1.00 0.00 H new ATOM 737 N GLY A 54 -9.339 13.360 -18.341 1.00 0.00 N ATOM 738 CA GLY A 54 -10.022 14.219 -17.391 1.00 0.00 C ATOM 739 C GLY A 54 -11.547 14.114 -17.505 1.00 0.00 C ATOM 740 O GLY A 54 -12.057 13.050 -17.853 1.00 0.00 O ATOM 0 H GLY A 54 -8.841 12.585 -17.904 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.716 13.953 -16.379 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.718 15.253 -17.555 1.00 0.00 H new ATOM 744 N PRO A 55 -12.292 15.196 -17.207 1.00 0.00 N ATOM 745 CA PRO A 55 -11.804 16.499 -16.767 1.00 0.00 C ATOM 746 C PRO A 55 -10.907 16.415 -15.528 1.00 0.00 C ATOM 747 O PRO A 55 -11.083 15.538 -14.686 1.00 0.00 O ATOM 748 CB PRO A 55 -13.053 17.340 -16.487 1.00 0.00 C ATOM 749 CG PRO A 55 -14.130 16.687 -17.349 1.00 0.00 C ATOM 750 CD PRO A 55 -13.741 15.212 -17.300 1.00 0.00 C ATOM 0 HA PRO A 55 -11.174 16.944 -17.537 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.320 17.321 -15.430 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.901 18.385 -16.759 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -15.129 16.857 -16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.125 17.075 -18.368 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.195 14.715 -16.443 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.083 14.686 -18.191 1.00 0.00 H new ATOM 758 N TYR A 56 -9.944 17.337 -15.436 1.00 0.00 N ATOM 759 CA TYR A 56 -8.967 17.443 -14.360 1.00 0.00 C ATOM 760 C TYR A 56 -9.266 18.702 -13.552 1.00 0.00 C ATOM 761 O TYR A 56 -9.609 19.740 -14.116 1.00 0.00 O ATOM 762 CB TYR A 56 -7.555 17.418 -14.969 1.00 0.00 C ATOM 763 CG TYR A 56 -7.387 18.327 -16.172 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.705 17.856 -17.460 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.917 19.641 -16.009 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.574 18.699 -18.576 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.784 20.486 -17.126 1.00 0.00 C ATOM 768 CZ TYR A 56 -7.126 20.020 -18.408 1.00 0.00 C ATOM 769 OH TYR A 56 -7.017 20.839 -19.492 1.00 0.00 O ATOM 0 H TYR A 56 -9.823 18.061 -16.145 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.026 16.602 -13.669 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.835 17.708 -14.204 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.315 16.396 -15.262 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.051 16.841 -17.591 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.658 20.003 -15.025 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.817 18.332 -19.562 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.419 21.494 -16.999 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.163 21.768 -19.216 1.00 0.00 H new ATOM 779 N GLN A 57 -9.118 18.590 -12.225 1.00 0.00 N ATOM 780 CA GLN A 57 -9.400 19.647 -11.267 1.00 0.00 C ATOM 781 C GLN A 57 -8.162 20.155 -10.546 1.00 0.00 C ATOM 782 O GLN A 57 -7.212 19.405 -10.319 1.00 0.00 O ATOM 783 CB GLN A 57 -10.369 19.118 -10.203 1.00 0.00 C ATOM 784 CG GLN A 57 -11.725 18.681 -10.759 1.00 0.00 C ATOM 785 CD GLN A 57 -11.663 17.414 -11.612 1.00 0.00 C ATOM 786 OE1 GLN A 57 -11.004 16.442 -11.248 1.00 0.00 O ATOM 787 NE2 GLN A 57 -12.349 17.427 -12.757 1.00 0.00 N ATOM 0 H GLN A 57 -8.788 17.732 -11.784 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.822 20.474 -11.838 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.907 18.272 -9.694 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.528 19.893 -9.453 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -12.411 18.515 -9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.140 19.491 -11.358 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.883 18.254 -13.022 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -12.339 16.609 -13.367 1.00 0.00 H new ATOM 796 N GLU A 58 -8.206 21.441 -10.179 1.00 0.00 N ATOM 797 CA GLU A 58 -7.144 22.118 -9.461 1.00 0.00 C ATOM 798 C GLU A 58 -7.280 21.887 -7.964 1.00 0.00 C ATOM 799 O GLU A 58 -8.366 21.610 -7.465 1.00 0.00 O ATOM 800 CB GLU A 58 -7.248 23.640 -9.655 1.00 0.00 C ATOM 801 CG GLU A 58 -7.191 24.095 -11.111 1.00 0.00 C ATOM 802 CD GLU A 58 -6.863 25.583 -11.206 1.00 0.00 C ATOM 803 OE1 GLU A 58 -7.776 26.388 -10.923 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.701 25.889 -11.551 1.00 0.00 O ATOM 0 H GLU A 58 -9.003 22.045 -10.382 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.202 21.726 -9.845 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.183 23.987 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.439 24.120 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.438 23.518 -11.647 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.147 23.898 -11.595 1.00 0.00 H new ATOM 811 N PHE A 59 -6.156 21.991 -7.256 1.00 0.00 N ATOM 812 CA PHE A 59 -6.088 21.875 -5.815 1.00 0.00 C ATOM 813 C PHE A 59 -4.859 22.692 -5.439 1.00 0.00 C ATOM 814 O PHE A 59 -3.736 22.266 -5.696 1.00 0.00 O ATOM 815 CB PHE A 59 -6.052 20.450 -5.290 1.00 0.00 C ATOM 816 CG PHE A 59 -6.203 20.523 -3.787 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.474 20.749 -3.225 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.084 20.387 -2.950 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.617 20.836 -1.833 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.240 20.477 -1.556 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.505 20.703 -0.998 1.00 0.00 C ATOM 0 H PHE A 59 -5.248 22.163 -7.688 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.999 22.249 -5.347 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.855 19.858 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.114 19.964 -5.559 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.337 20.855 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.107 20.214 -3.376 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.593 21.007 -1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.380 20.371 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.620 20.774 0.073 1.00 0.00 H new ATOM 831 N PRO A 60 -5.035 23.859 -4.816 1.00 0.00 N ATOM 832 CA PRO A 60 -3.938 24.726 -4.508 1.00 0.00 C ATOM 833 C PRO A 60 -3.198 24.333 -3.232 1.00 0.00 C ATOM 834 O PRO A 60 -3.810 24.046 -2.206 1.00 0.00 O ATOM 835 CB PRO A 60 -4.570 26.105 -4.508 1.00 0.00 C ATOM 836 CG PRO A 60 -5.908 25.833 -3.823 1.00 0.00 C ATOM 837 CD PRO A 60 -6.268 24.438 -4.335 1.00 0.00 C ATOM 0 HA PRO A 60 -3.124 24.672 -5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.969 26.830 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.699 26.496 -5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.819 25.856 -2.737 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.661 26.572 -4.097 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.700 23.830 -3.540 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.009 24.494 -5.132 1.00 0.00 H new ATOM 845 N ILE A 61 -1.866 24.316 -3.336 1.00 0.00 N ATOM 846 CA ILE A 61 -0.909 24.004 -2.294 1.00 0.00 C ATOM 847 C ILE A 61 -0.275 25.327 -1.886 1.00 0.00 C ATOM 848 O ILE A 61 -0.683 26.422 -2.271 1.00 0.00 O ATOM 849 CB ILE A 61 0.129 23.029 -2.897 1.00 0.00 C ATOM 850 CG1 ILE A 61 -0.460 21.643 -3.207 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.602 22.885 -2.526 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.148 20.463 -2.415 1.00 0.00 C ATOM 0 H ILE A 61 -1.405 24.537 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.354 23.532 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 61 0.298 23.725 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.532 21.673 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.334 21.445 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.057 22.106 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.115 23.830 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.687 22.615 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.341 19.535 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.215 20.395 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.001 20.626 -1.348 1.00 0.00 H new ATOM 864 N LYS A 62 0.739 25.140 -1.068 1.00 0.00 N ATOM 865 CA LYS A 62 1.603 26.118 -0.435 1.00 0.00 C ATOM 866 C LYS A 62 2.862 25.403 0.057 1.00 0.00 C ATOM 867 O LYS A 62 3.042 24.210 -0.185 1.00 0.00 O ATOM 868 CB LYS A 62 0.848 26.882 0.671 1.00 0.00 C ATOM 869 CG LYS A 62 0.625 28.352 0.284 1.00 0.00 C ATOM 870 CD LYS A 62 1.929 29.161 0.301 1.00 0.00 C ATOM 871 CE LYS A 62 1.688 30.579 -0.226 1.00 0.00 C ATOM 872 NZ LYS A 62 2.935 31.362 -0.234 1.00 0.00 N ATOM 0 H LYS A 62 1.009 24.194 -0.800 1.00 0.00 H new ATOM 0 HA LYS A 62 1.913 26.882 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.113 26.403 0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.413 26.831 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.182 28.401 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.089 28.803 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.323 29.206 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.681 28.662 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.279 30.530 -1.235 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.945 31.079 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.742 32.318 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.310 31.427 0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.634 30.895 -0.846 1.00 0.00 H new ATOM 886 N SER A 63 3.739 26.124 0.763 1.00 0.00 N ATOM 887 CA SER A 63 4.950 25.549 1.332 1.00 0.00 C ATOM 888 C SER A 63 4.559 25.032 2.726 1.00 0.00 C ATOM 889 O SER A 63 5.186 25.387 3.724 1.00 0.00 O ATOM 890 CB SER A 63 6.051 26.614 1.391 1.00 0.00 C ATOM 891 OG SER A 63 6.378 27.041 0.086 1.00 0.00 O ATOM 0 H SER A 63 3.625 27.120 0.953 1.00 0.00 H new ATOM 0 HA SER A 63 5.349 24.732 0.731 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.716 27.463 1.987 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.935 26.208 1.882 1.00 0.00 H new ATOM 0 HG SER A 63 7.081 27.723 0.131 1.00 0.00 H new ATOM 897 N GLY A 64 3.507 24.197 2.786 1.00 0.00 N ATOM 898 CA GLY A 64 2.969 23.631 4.013 1.00 0.00 C ATOM 899 C GLY A 64 2.192 22.340 3.752 1.00 0.00 C ATOM 900 O GLY A 64 2.456 21.343 4.421 1.00 0.00 O ATOM 0 H GLY A 64 3.001 23.895 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.784 23.430 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.314 24.359 4.492 1.00 0.00 H new ATOM 904 N GLY A 65 1.237 22.351 2.804 1.00 0.00 N ATOM 905 CA GLY A 65 0.441 21.179 2.451 1.00 0.00 C ATOM 906 C GLY A 65 -0.969 21.535 1.983 1.00 0.00 C ATOM 907 O GLY A 65 -1.152 22.496 1.236 1.00 0.00 O ATOM 0 H GLY A 65 1.001 23.183 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.950 20.624 1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.375 20.518 3.315 1.00 0.00 H new ATOM 911 N VAL A 66 -1.955 20.737 2.427 1.00 0.00 N ATOM 912 CA VAL A 66 -3.374 20.882 2.116 1.00 0.00 C ATOM 913 C VAL A 66 -3.849 22.303 2.435 1.00 0.00 C ATOM 914 O VAL A 66 -3.402 22.892 3.420 1.00 0.00 O ATOM 915 CB VAL A 66 -4.176 19.781 2.844 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.243 20.025 4.357 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.596 19.607 2.289 1.00 0.00 C ATOM 0 H VAL A 66 -1.769 19.942 3.038 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.545 20.744 1.048 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.628 18.857 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.816 19.227 4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.234 20.039 4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.727 20.982 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.109 18.819 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.146 20.542 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.544 19.336 1.235 1.00 0.00 H new ATOM 927 N TYR A 67 -4.741 22.853 1.597 1.00 0.00 N ATOM 928 CA TYR A 67 -5.260 24.206 1.756 1.00 0.00 C ATOM 929 C TYR A 67 -6.781 24.260 1.611 1.00 0.00 C ATOM 930 O TYR A 67 -7.400 23.325 1.106 1.00 0.00 O ATOM 931 CB TYR A 67 -4.552 25.131 0.752 1.00 0.00 C ATOM 932 CG TYR A 67 -3.979 26.389 1.369 1.00 0.00 C ATOM 933 CD1 TYR A 67 -2.794 26.308 2.125 1.00 0.00 C ATOM 934 CD2 TYR A 67 -4.619 27.631 1.201 1.00 0.00 C ATOM 935 CE1 TYR A 67 -2.240 27.466 2.695 1.00 0.00 C ATOM 936 CE2 TYR A 67 -4.063 28.790 1.772 1.00 0.00 C ATOM 937 CZ TYR A 67 -2.871 28.709 2.513 1.00 0.00 C ATOM 938 OH TYR A 67 -2.329 29.837 3.056 1.00 0.00 O ATOM 0 H TYR A 67 -5.120 22.362 0.787 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.049 24.550 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.747 24.577 0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.259 25.412 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.310 25.353 2.267 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.536 27.694 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.330 27.402 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.553 29.744 1.641 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.890 30.609 2.834 1.00 0.00 H new ATOM 948 N THR A 68 -7.361 25.379 2.067 1.00 0.00 N ATOM 949 CA THR A 68 -8.791 25.656 2.057 1.00 0.00 C ATOM 950 C THR A 68 -9.031 27.080 1.540 1.00 0.00 C ATOM 951 O THR A 68 -9.535 27.947 2.251 1.00 0.00 O ATOM 952 CB THR A 68 -9.394 25.349 3.437 1.00 0.00 C ATOM 953 OG1 THR A 68 -10.744 25.758 3.516 1.00 0.00 O ATOM 954 CG2 THR A 68 -8.594 25.993 4.565 1.00 0.00 C ATOM 0 H THR A 68 -6.818 26.143 2.468 1.00 0.00 H new ATOM 0 HA THR A 68 -9.319 25.000 1.365 1.00 0.00 H new ATOM 0 HB THR A 68 -9.348 24.267 3.559 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.821 26.690 3.224 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.055 25.751 5.522 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.572 25.615 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.583 27.075 4.431 1.00 0.00 H new ATOM 962 N GLY A 69 -8.666 27.305 0.272 1.00 0.00 N ATOM 963 CA GLY A 69 -8.787 28.581 -0.418 1.00 0.00 C ATOM 964 C GLY A 69 -7.705 28.684 -1.491 1.00 0.00 C ATOM 965 O GLY A 69 -6.934 27.744 -1.679 1.00 0.00 O ATOM 0 H GLY A 69 -8.265 26.574 -0.316 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.774 28.669 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.689 29.402 0.293 1.00 0.00 H new ATOM 969 N GLY A 70 -7.636 29.824 -2.189 1.00 0.00 N ATOM 970 CA GLY A 70 -6.640 30.043 -3.229 1.00 0.00 C ATOM 971 C GLY A 70 -6.376 31.531 -3.435 1.00 0.00 C ATOM 972 O GLY A 70 -5.598 32.119 -2.686 1.00 0.00 O ATOM 0 H GLY A 70 -8.267 30.612 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.711 29.540 -2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.983 29.599 -4.164 1.00 0.00 H new ATOM 976 N SER A 71 -7.018 32.119 -4.453 1.00 0.00 N ATOM 977 CA SER A 71 -6.902 33.519 -4.844 1.00 0.00 C ATOM 978 C SER A 71 -5.433 33.896 -5.128 1.00 0.00 C ATOM 979 O SER A 71 -4.947 33.466 -6.175 1.00 0.00 O ATOM 980 CB SER A 71 -7.749 34.429 -3.941 1.00 0.00 C ATOM 981 OG SER A 71 -9.111 34.080 -4.061 1.00 0.00 O ATOM 0 H SER A 71 -7.662 31.601 -5.051 1.00 0.00 H new ATOM 0 HA SER A 71 -7.366 33.697 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.428 34.330 -2.904 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.605 35.472 -4.221 1.00 0.00 H new ATOM 0 HG SER A 71 -9.649 34.660 -3.483 1.00 0.00 H new ATOM 987 N PRO A 72 -4.679 34.646 -4.294 1.00 0.00 N ATOM 988 CA PRO A 72 -3.271 34.894 -4.574 1.00 0.00 C ATOM 989 C PRO A 72 -2.466 33.632 -4.248 1.00 0.00 C ATOM 990 O PRO A 72 -2.630 33.054 -3.175 1.00 0.00 O ATOM 991 CB PRO A 72 -2.870 36.072 -3.687 1.00 0.00 C ATOM 992 CG PRO A 72 -3.761 35.893 -2.462 1.00 0.00 C ATOM 993 CD PRO A 72 -5.048 35.302 -3.044 1.00 0.00 C ATOM 0 HA PRO A 72 -3.081 35.131 -5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.812 36.040 -3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.047 37.028 -4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.308 35.225 -1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.946 36.841 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.495 34.590 -2.350 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.788 36.083 -3.220 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.603 33.199 -5.173 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.796 32.008 -4.987 1.00 0.00 C ATOM 1003 C GLY A 73 -0.051 31.658 -6.268 1.00 0.00 C ATOM 1004 O GLY A 73 -0.389 32.136 -7.351 1.00 0.00 O ATOM 0 H GLY A 73 -1.451 33.669 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.083 32.168 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.432 31.174 -4.691 1.00 0.00 H new ATOM 1008 N ALA A 74 0.976 30.816 -6.122 1.00 0.00 N ATOM 1009 CA ALA A 74 1.804 30.351 -7.219 1.00 0.00 C ATOM 1010 C ALA A 74 2.474 29.039 -6.824 1.00 0.00 C ATOM 1011 O ALA A 74 3.680 28.896 -6.981 1.00 0.00 O ATOM 1012 CB ALA A 74 2.835 31.429 -7.563 1.00 0.00 C ATOM 0 H ALA A 74 1.254 30.436 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 74 1.196 30.167 -8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.460 31.085 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.321 32.344 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.459 31.626 -6.692 1.00 0.00 H new ATOM 1018 N ASP A 75 1.680 28.099 -6.302 1.00 0.00 N ATOM 1019 CA ASP A 75 2.070 26.772 -5.864 1.00 0.00 C ATOM 1020 C ASP A 75 0.796 25.926 -5.906 1.00 0.00 C ATOM 1021 O ASP A 75 -0.159 26.204 -5.182 1.00 0.00 O ATOM 1022 CB ASP A 75 2.738 26.836 -4.481 1.00 0.00 C ATOM 1023 CG ASP A 75 2.333 28.038 -3.622 1.00 0.00 C ATOM 1024 OD1 ASP A 75 1.113 28.261 -3.462 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.261 28.722 -3.136 1.00 0.00 O ATOM 0 H ASP A 75 0.682 28.265 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 75 2.823 26.317 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.500 25.922 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.819 26.853 -4.617 1.00 0.00 H new ATOM 1030 N ARG A 76 0.787 24.892 -6.759 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.366 24.026 -6.964 1.00 0.00 C ATOM 1032 C ARG A 76 -0.001 22.585 -7.311 1.00 0.00 C ATOM 1033 O ARG A 76 1.138 22.268 -7.651 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.135 24.592 -8.182 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.517 25.162 -7.861 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.168 25.710 -9.137 1.00 0.00 C ATOM 1037 NE ARG A 76 -4.211 26.705 -8.852 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.981 27.985 -8.502 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -2.735 28.438 -8.297 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -5.010 28.829 -8.363 1.00 0.00 N ATOM 0 H ARG A 76 1.593 24.637 -7.329 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.934 24.009 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.533 25.375 -8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.247 23.800 -8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.147 24.386 -7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.429 25.955 -7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.402 26.161 -9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.601 24.886 -9.703 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.183 26.403 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.939 27.809 -8.406 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.583 29.411 -8.032 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.963 28.502 -8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.841 29.799 -8.098 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.028 21.734 -7.197 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.065 20.319 -7.529 1.00 0.00 C ATOM 1056 C VAL A 77 -2.394 20.194 -8.266 1.00 0.00 C ATOM 1057 O VAL A 77 -3.373 20.843 -7.898 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.934 19.302 -6.390 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.493 19.263 -5.829 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.023 19.414 -5.318 1.00 0.00 C ATOM 0 H VAL A 77 -1.928 22.053 -6.839 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.175 20.053 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.119 18.323 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.547 18.531 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.188 18.983 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.759 20.247 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.856 18.659 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.988 20.405 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.000 19.258 -5.774 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.445 19.364 -9.303 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.653 19.217 -10.098 1.00 0.00 C ATOM 1072 C VAL A 78 -3.929 17.729 -10.302 1.00 0.00 C ATOM 1073 O VAL A 78 -3.092 17.012 -10.855 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.478 20.068 -11.370 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.669 19.949 -12.328 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.286 21.556 -10.981 1.00 0.00 C ATOM 0 H VAL A 78 -1.663 18.785 -9.610 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.553 19.595 -9.612 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.598 19.689 -11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.492 20.569 -13.207 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.787 18.910 -12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.576 20.284 -11.824 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.162 22.155 -11.883 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.160 21.904 -10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.400 21.657 -10.354 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.112 17.299 -9.827 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.613 15.931 -9.864 1.00 0.00 C ATOM 1088 C ILE A 79 -6.569 15.701 -11.038 1.00 0.00 C ATOM 1089 O ILE A 79 -6.850 16.618 -11.808 1.00 0.00 O ATOM 1090 CB ILE A 79 -6.307 15.573 -8.526 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.646 16.315 -8.323 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.380 15.827 -7.329 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.528 15.639 -7.267 1.00 0.00 C ATOM 0 H ILE A 79 -5.773 17.938 -9.385 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.755 15.274 -10.008 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.531 14.508 -8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.447 17.344 -8.023 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.184 16.357 -9.270 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.898 15.566 -6.406 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.483 15.216 -7.427 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.100 16.880 -7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.458 16.196 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.751 14.618 -7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.003 15.621 -6.312 1.00 0.00 H new ATOM 1105 N ASN A 80 -7.066 14.460 -11.153 1.00 0.00 N ATOM 1106 CA ASN A 80 -8.011 14.019 -12.173 1.00 0.00 C ATOM 1107 C ASN A 80 -9.345 13.663 -11.519 1.00 0.00 C ATOM 1108 O ASN A 80 -9.468 13.723 -10.295 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.439 12.840 -12.966 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.072 13.145 -13.575 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.237 12.252 -13.704 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.838 14.404 -13.957 1.00 0.00 N ATOM 0 H ASN A 80 -6.806 13.712 -10.510 1.00 0.00 H new ATOM 0 HA ASN A 80 -8.183 14.831 -12.880 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.354 11.974 -12.310 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.134 12.571 -13.761 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.940 14.652 -14.373 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.557 15.117 -13.833 1.00 0.00 H new ATOM 1119 N THR A 81 -10.340 13.295 -12.342 1.00 0.00 N ATOM 1120 CA THR A 81 -11.683 12.950 -11.892 1.00 0.00 C ATOM 1121 C THR A 81 -11.901 11.577 -11.284 1.00 0.00 C ATOM 1122 O THR A 81 -12.754 10.795 -11.701 1.00 0.00 O ATOM 1123 CB THR A 81 -12.741 13.380 -12.913 1.00 0.00 C ATOM 1124 OG1 THR A 81 -14.048 13.146 -12.426 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.550 12.646 -14.233 1.00 0.00 C ATOM 0 H THR A 81 -10.224 13.230 -13.353 1.00 0.00 H new ATOM 0 HA THR A 81 -11.819 13.555 -10.995 1.00 0.00 H new ATOM 0 HB THR A 81 -12.616 14.450 -13.079 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.126 12.214 -12.134 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.313 12.968 -14.942 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.562 12.872 -14.635 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.638 11.572 -14.068 1.00 0.00 H new ATOM 1133 N ASN A 82 -11.097 11.321 -10.261 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.133 10.140 -9.465 1.00 0.00 C ATOM 1135 C ASN A 82 -10.392 10.591 -8.213 1.00 0.00 C ATOM 1136 O ASN A 82 -10.974 11.198 -7.319 1.00 0.00 O ATOM 1137 CB ASN A 82 -10.542 8.940 -10.233 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.358 7.714 -9.341 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -9.230 7.325 -9.044 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.466 7.101 -8.917 1.00 0.00 N ATOM 0 H ASN A 82 -10.373 11.975 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.120 9.757 -9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.198 8.686 -11.065 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.580 9.223 -10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.396 6.275 -8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.382 7.458 -9.188 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.102 10.289 -8.216 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.099 10.511 -7.177 1.00 0.00 C ATOM 1149 C CYS A 83 -6.689 10.368 -7.773 1.00 0.00 C ATOM 1150 O CYS A 83 -5.875 9.662 -7.177 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.325 9.515 -6.020 1.00 0.00 C ATOM 1152 SG CYS A 83 -9.804 9.788 -5.004 1.00 0.00 S ATOM 0 H CYS A 83 -8.686 9.835 -9.029 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.195 11.522 -6.781 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.378 8.510 -6.439 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.452 9.543 -5.368 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.364 10.990 -8.917 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.041 10.822 -9.528 1.00 0.00 C ATOM 1159 C GLU A 84 -4.268 12.125 -9.715 1.00 0.00 C ATOM 1160 O GLU A 84 -4.615 12.922 -10.583 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.185 10.085 -10.869 1.00 0.00 C ATOM 1162 CG GLU A 84 -5.800 8.692 -10.691 1.00 0.00 C ATOM 1163 CD GLU A 84 -5.926 7.966 -12.026 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -6.988 8.131 -12.663 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -4.956 7.264 -12.388 1.00 0.00 O ATOM 0 H GLU A 84 -6.993 11.607 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.449 10.231 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.808 10.674 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.206 9.993 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.183 8.104 -10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.784 8.783 -10.230 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.215 12.316 -8.902 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.321 13.467 -8.935 1.00 0.00 C ATOM 1174 C TYR A 85 -1.573 13.438 -10.271 1.00 0.00 C ATOM 1175 O TYR A 85 -0.653 12.640 -10.449 1.00 0.00 O ATOM 1176 CB TYR A 85 -1.367 13.417 -7.723 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.100 14.249 -7.856 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -0.167 15.586 -8.289 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.155 13.679 -7.557 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.009 16.344 -8.420 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.328 14.432 -7.705 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.260 15.764 -8.142 1.00 0.00 C ATOM 1183 OH TYR A 85 3.405 16.494 -8.283 1.00 0.00 O ATOM 0 H TYR A 85 -2.961 11.642 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.871 14.405 -8.863 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.911 13.752 -6.840 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.083 12.379 -7.548 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.124 16.030 -8.521 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.213 12.657 -7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.952 17.375 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.286 13.986 -7.482 1.00 0.00 H new ATOM 0 HH TYR A 85 4.178 15.939 -8.048 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.968 14.316 -11.202 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.376 14.403 -12.529 1.00 0.00 C ATOM 1195 C ALA A 86 -0.062 15.173 -12.518 1.00 0.00 C ATOM 1196 O ALA A 86 0.943 14.640 -12.988 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.371 15.014 -13.512 1.00 0.00 C ATOM 0 H ALA A 86 -2.717 14.991 -11.046 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.142 13.391 -12.858 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.916 15.073 -14.501 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.264 14.391 -13.560 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.645 16.015 -13.178 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.043 16.407 -11.995 1.00 0.00 N ATOM 1204 CA GLY A 87 1.205 17.159 -11.990 1.00 0.00 C ATOM 1205 C GLY A 87 1.152 18.440 -11.168 1.00 0.00 C ATOM 1206 O GLY A 87 0.101 19.070 -11.044 1.00 0.00 O ATOM 0 H GLY A 87 -0.846 16.885 -11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.000 16.522 -11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.471 17.409 -13.017 1.00 0.00 H new ATOM 1210 N ALA A 88 2.315 18.799 -10.602 1.00 0.00 N ATOM 1211 CA ALA A 88 2.514 19.988 -9.792 1.00 0.00 C ATOM 1212 C ALA A 88 2.999 21.126 -10.684 1.00 0.00 C ATOM 1213 O ALA A 88 3.812 20.914 -11.585 1.00 0.00 O ATOM 1214 CB ALA A 88 3.484 19.697 -8.644 1.00 0.00 C ATOM 0 H ALA A 88 3.165 18.244 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 88 1.571 20.292 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.622 20.598 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.077 18.904 -8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.445 19.381 -9.051 1.00 0.00 H new ATOM 1220 N ILE A 89 2.487 22.331 -10.415 1.00 0.00 N ATOM 1221 CA ILE A 89 2.786 23.549 -11.153 1.00 0.00 C ATOM 1222 C ILE A 89 3.030 24.703 -10.174 1.00 0.00 C ATOM 1223 O ILE A 89 2.647 24.615 -9.008 1.00 0.00 O ATOM 1224 CB ILE A 89 1.646 23.813 -12.157 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.278 23.930 -11.458 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.607 22.710 -13.222 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.859 24.302 -12.417 1.00 0.00 C ATOM 0 H ILE A 89 1.831 22.484 -9.649 1.00 0.00 H new ATOM 0 HA ILE A 89 3.704 23.447 -11.731 1.00 0.00 H new ATOM 0 HB ILE A 89 1.850 24.769 -12.639 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.042 22.982 -10.975 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.342 24.682 -10.671 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.797 22.910 -13.924 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.555 22.689 -13.759 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.441 21.746 -12.741 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.795 24.369 -11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.643 25.264 -12.881 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.948 23.538 -13.189 1.00 0.00 H new ATOM 1239 N THR A 90 3.675 25.784 -10.640 1.00 0.00 N ATOM 1240 CA THR A 90 4.001 26.946 -9.817 1.00 0.00 C ATOM 1241 C THR A 90 4.275 28.196 -10.663 1.00 0.00 C ATOM 1242 O THR A 90 4.750 28.063 -11.790 1.00 0.00 O ATOM 1243 CB THR A 90 5.279 26.589 -9.020 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.616 27.568 -8.073 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.509 26.427 -9.931 1.00 0.00 C ATOM 0 H THR A 90 3.985 25.871 -11.608 1.00 0.00 H new ATOM 0 HA THR A 90 3.156 27.175 -9.168 1.00 0.00 H new ATOM 0 HB THR A 90 5.035 25.648 -8.526 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.854 27.721 -7.476 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.380 26.177 -9.325 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.326 25.629 -10.651 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.693 27.360 -10.463 1.00 0.00 H new ATOM 1253 N HIS A 91 3.963 29.401 -10.148 1.00 0.00 N ATOM 1254 CA HIS A 91 4.291 30.645 -10.872 1.00 0.00 C ATOM 1255 C HIS A 91 5.730 31.038 -10.522 1.00 0.00 C ATOM 1256 O HIS A 91 6.383 31.727 -11.302 1.00 0.00 O ATOM 1257 CB HIS A 91 3.406 31.899 -10.698 1.00 0.00 C ATOM 1258 CG HIS A 91 1.914 31.733 -10.743 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.042 32.803 -10.606 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.113 30.642 -10.918 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.207 32.314 -10.703 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.232 30.994 -10.886 1.00 0.00 N ATOM 0 H HIS A 91 3.494 29.539 -9.253 1.00 0.00 H new ATOM 0 HA HIS A 91 4.111 30.363 -11.910 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.660 32.355 -9.741 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.684 32.612 -11.474 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.477 29.635 -11.063 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.095 32.926 -10.639 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.045 30.386 -10.980 1.00 0.00 H new ATOM 1270 N THR A 92 6.210 30.610 -9.342 1.00 0.00 N ATOM 1271 CA THR A 92 7.542 30.853 -8.817 1.00 0.00 C ATOM 1272 C THR A 92 8.599 30.515 -9.871 1.00 0.00 C ATOM 1273 O THR A 92 8.808 29.347 -10.196 1.00 0.00 O ATOM 1274 CB THR A 92 7.727 30.030 -7.531 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.622 30.232 -6.671 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.003 30.419 -6.783 1.00 0.00 C ATOM 0 H THR A 92 5.639 30.056 -8.703 1.00 0.00 H new ATOM 0 HA THR A 92 7.664 31.908 -8.572 1.00 0.00 H new ATOM 0 HB THR A 92 7.802 28.983 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.967 29.515 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.095 29.814 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.867 30.248 -7.425 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.957 31.473 -6.509 1.00 0.00 H new ATOM 1284 N GLY A 93 9.250 31.556 -10.404 1.00 0.00 N ATOM 1285 CA GLY A 93 10.272 31.441 -11.428 1.00 0.00 C ATOM 1286 C GLY A 93 9.646 31.314 -12.816 1.00 0.00 C ATOM 1287 O GLY A 93 9.968 30.381 -13.551 1.00 0.00 O ATOM 0 H GLY A 93 9.070 32.520 -10.123 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.922 32.315 -11.397 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.897 30.571 -11.226 1.00 0.00 H new ATOM 1291 N ALA A 94 8.743 32.245 -13.163 1.00 0.00 N ATOM 1292 CA ALA A 94 8.063 32.299 -14.450 1.00 0.00 C ATOM 1293 C ALA A 94 7.911 33.767 -14.865 1.00 0.00 C ATOM 1294 O ALA A 94 8.901 34.497 -14.860 1.00 0.00 O ATOM 1295 CB ALA A 94 6.733 31.543 -14.364 1.00 0.00 C ATOM 0 H ALA A 94 8.464 32.997 -12.533 1.00 0.00 H new ATOM 0 HA ALA A 94 8.644 31.803 -15.227 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.227 31.586 -15.329 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.922 30.503 -14.099 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.102 32.002 -13.603 1.00 0.00 H new ATOM 1301 N SER A 95 6.694 34.206 -15.221 1.00 0.00 N ATOM 1302 CA SER A 95 6.411 35.572 -15.641 1.00 0.00 C ATOM 1303 C SER A 95 5.012 35.987 -15.176 1.00 0.00 C ATOM 1304 O SER A 95 4.094 36.112 -15.985 1.00 0.00 O ATOM 1305 CB SER A 95 6.579 35.705 -17.162 1.00 0.00 C ATOM 1306 OG SER A 95 7.918 35.466 -17.539 1.00 0.00 O ATOM 0 H SER A 95 5.870 33.605 -15.222 1.00 0.00 H new ATOM 0 HA SER A 95 7.125 36.251 -15.175 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.922 34.998 -17.669 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.279 36.704 -17.480 1.00 0.00 H new ATOM 0 HG SER A 95 8.005 35.554 -18.511 1.00 0.00 H new ATOM 1312 N GLY A 96 4.864 36.193 -13.861 1.00 0.00 N ATOM 1313 CA GLY A 96 3.628 36.614 -13.222 1.00 0.00 C ATOM 1314 C GLY A 96 2.546 35.536 -13.255 1.00 0.00 C ATOM 1315 O GLY A 96 2.467 34.710 -12.350 1.00 0.00 O ATOM 0 H GLY A 96 5.630 36.065 -13.199 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.834 36.884 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.256 37.511 -13.717 1.00 0.00 H new ATOM 1319 N ASN A 97 1.713 35.561 -14.301 1.00 0.00 N ATOM 1320 CA ASN A 97 0.610 34.631 -14.504 1.00 0.00 C ATOM 1321 C ASN A 97 1.096 33.298 -15.069 1.00 0.00 C ATOM 1322 O ASN A 97 0.535 32.256 -14.730 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.407 35.255 -15.467 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.007 36.542 -14.905 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -0.634 37.636 -15.321 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.941 36.409 -13.959 1.00 0.00 N ATOM 0 H ASN A 97 1.795 36.251 -15.048 1.00 0.00 H new ATOM 0 HA ASN A 97 0.146 34.437 -13.537 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.078 35.466 -16.420 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.205 34.539 -15.667 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.376 37.237 -13.551 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.219 35.480 -13.644 1.00 0.00 H new ATOM 1333 N ASN A 98 2.129 33.335 -15.924 1.00 0.00 N ATOM 1334 CA ASN A 98 2.698 32.157 -16.563 1.00 0.00 C ATOM 1335 C ASN A 98 3.075 31.099 -15.526 1.00 0.00 C ATOM 1336 O ASN A 98 3.606 31.420 -14.464 1.00 0.00 O ATOM 1337 CB ASN A 98 3.908 32.543 -17.422 1.00 0.00 C ATOM 1338 CG ASN A 98 3.502 33.357 -18.651 1.00 0.00 C ATOM 1339 OD1 ASN A 98 3.369 32.807 -19.742 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.308 34.669 -18.484 1.00 0.00 N ATOM 0 H ASN A 98 2.594 34.203 -16.190 1.00 0.00 H new ATOM 0 HA ASN A 98 1.941 31.724 -17.217 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.610 33.120 -16.821 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.429 31.640 -17.741 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.040 35.250 -19.278 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.428 35.089 -17.562 1.00 0.00 H new ATOM 1347 N PHE A 99 2.778 29.839 -15.859 1.00 0.00 N ATOM 1348 CA PHE A 99 3.021 28.668 -15.034 1.00 0.00 C ATOM 1349 C PHE A 99 4.197 27.863 -15.588 1.00 0.00 C ATOM 1350 O PHE A 99 4.420 27.839 -16.797 1.00 0.00 O ATOM 1351 CB PHE A 99 1.759 27.783 -15.056 1.00 0.00 C ATOM 1352 CG PHE A 99 0.923 27.842 -13.796 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.462 27.321 -12.611 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.374 28.389 -13.795 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.718 27.343 -11.421 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.120 28.417 -12.603 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.571 27.896 -11.417 1.00 0.00 C ATOM 0 H PHE A 99 2.343 29.605 -16.751 1.00 0.00 H new ATOM 0 HA PHE A 99 3.254 28.985 -14.018 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.138 28.080 -15.902 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.060 26.750 -15.228 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.457 26.900 -12.614 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.795 28.786 -14.707 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.136 26.936 -10.512 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.114 28.838 -12.598 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.143 27.922 -10.501 1.00 0.00 H new ATOM 1367 N VAL A 100 4.944 27.217 -14.683 1.00 0.00 N ATOM 1368 CA VAL A 100 6.080 26.362 -15.007 1.00 0.00 C ATOM 1369 C VAL A 100 5.893 25.025 -14.292 1.00 0.00 C ATOM 1370 O VAL A 100 5.136 24.923 -13.327 1.00 0.00 O ATOM 1371 CB VAL A 100 7.447 27.008 -14.729 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.695 28.161 -15.703 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.623 27.453 -13.278 1.00 0.00 C ATOM 0 H VAL A 100 4.765 27.280 -13.681 1.00 0.00 H new ATOM 0 HA VAL A 100 6.095 26.199 -16.085 1.00 0.00 H new ATOM 0 HB VAL A 100 8.201 26.238 -14.892 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.666 28.610 -15.496 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.681 27.783 -16.725 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.915 28.913 -15.583 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.609 27.900 -13.152 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.857 28.187 -13.027 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.529 26.590 -12.619 1.00 0.00 H new ATOM 1383 N GLY A 101 6.607 24.009 -14.781 1.00 0.00 N ATOM 1384 CA GLY A 101 6.545 22.652 -14.267 1.00 0.00 C ATOM 1385 C GLY A 101 7.434 22.436 -13.045 1.00 0.00 C ATOM 1386 O GLY A 101 8.533 22.980 -12.960 1.00 0.00 O ATOM 0 H GLY A 101 7.256 24.116 -15.561 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.514 22.415 -14.006 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.842 21.958 -15.053 1.00 0.00 H new ATOM 1390 N CYS A 102 6.931 21.633 -12.099 1.00 0.00 N ATOM 1391 CA CYS A 102 7.608 21.260 -10.864 1.00 0.00 C ATOM 1392 C CYS A 102 8.511 20.051 -11.154 1.00 0.00 C ATOM 1393 O CYS A 102 8.644 19.644 -12.309 1.00 0.00 O ATOM 1394 CB CYS A 102 6.522 20.941 -9.829 1.00 0.00 C ATOM 1395 SG CYS A 102 7.035 20.913 -8.093 1.00 0.00 S ATOM 0 H CYS A 102 6.005 21.212 -12.182 1.00 0.00 H new ATOM 0 HA CYS A 102 8.240 22.058 -10.474 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.724 21.676 -9.936 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.095 19.968 -10.073 1.00 0.00 H new ATOM 1400 N SER A 103 9.152 19.467 -10.130 1.00 0.00 N ATOM 1401 CA SER A 103 10.005 18.300 -10.324 1.00 0.00 C ATOM 1402 C SER A 103 9.145 17.123 -10.790 1.00 0.00 C ATOM 1403 O SER A 103 8.103 16.839 -10.202 1.00 0.00 O ATOM 1404 CB SER A 103 10.756 17.947 -9.038 1.00 0.00 C ATOM 1405 OG SER A 103 11.639 18.984 -8.672 1.00 0.00 O ATOM 0 H SER A 103 9.092 19.788 -9.164 1.00 0.00 H new ATOM 0 HA SER A 103 10.752 18.527 -11.085 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.043 17.769 -8.233 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.314 17.021 -9.180 1.00 0.00 H new ATOM 0 HG SER A 103 11.125 19.786 -8.444 1.00 0.00 H new ATOM 1411 N GLY A 104 9.580 16.446 -11.858 1.00 0.00 N ATOM 1412 CA GLY A 104 8.863 15.321 -12.432 1.00 0.00 C ATOM 1413 C GLY A 104 7.596 15.794 -13.146 1.00 0.00 C ATOM 1414 O GLY A 104 6.535 15.193 -12.988 1.00 0.00 O ATOM 0 H GLY A 104 10.447 16.671 -12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 104 9.507 14.794 -13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.601 14.612 -11.647 1.00 0.00 H new ATOM 1418 N THR A 105 7.719 16.882 -13.917 1.00 0.00 N ATOM 1419 CA THR A 105 6.650 17.490 -14.698 1.00 0.00 C ATOM 1420 C THR A 105 7.297 18.068 -15.959 1.00 0.00 C ATOM 1421 O THR A 105 8.428 18.550 -15.895 1.00 0.00 O ATOM 1422 CB THR A 105 5.924 18.581 -13.888 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.582 18.110 -12.600 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.643 19.038 -14.594 1.00 0.00 C ATOM 0 H THR A 105 8.605 17.378 -14.013 1.00 0.00 H new ATOM 0 HA THR A 105 5.893 16.751 -14.961 1.00 0.00 H new ATOM 0 HB THR A 105 6.611 19.423 -13.803 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.124 18.820 -12.103 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.154 19.808 -13.998 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.893 19.443 -15.575 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.970 18.189 -14.713 1.00 0.00 H new ATOM 1432 N ASN A 106 6.584 18.007 -17.090 1.00 0.00 N ATOM 1433 CA ASN A 106 7.029 18.484 -18.395 1.00 0.00 C ATOM 1434 C ASN A 106 8.183 17.621 -18.912 1.00 0.00 C ATOM 1435 O ASN A 106 9.349 18.023 -18.705 1.00 0.00 O ATOM 1436 CB ASN A 106 7.365 19.986 -18.364 1.00 0.00 C ATOM 1437 CG ASN A 106 7.679 20.529 -19.758 1.00 0.00 C ATOM 1438 OD1 ASN A 106 6.932 20.291 -20.705 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.793 21.254 -19.891 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.878 16.505 -19.389 1.00 0.00 O ATOM 0 H ASN A 106 5.646 17.608 -17.117 1.00 0.00 H new ATOM 0 HA ASN A 106 6.208 18.379 -19.105 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.525 20.537 -17.940 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.219 20.153 -17.708 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.050 21.632 -20.803 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.387 21.430 -19.081 1.00 0.00 H new