USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=32 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 62 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0977) USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 26 TYR OH : rot -154:sc= 0.327 USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0.0106 USER MOD Set 4.1: A 4 THR OG1 : rot -87:sc= 1.42 USER MOD Set 4.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -61:sc= 0.0902 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.419 X(o=-0.42,f=0.0021) USER MOD Single : A 11 TYR OH : rot 137:sc= 0.746 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.54) 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) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.72) USER MOD Single : A 29 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 35 SER OG : rot 10:sc= 0.46 USER MOD Single : A 36 SER OG : rot 3:sc= 0.302 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -2.17 F(o=-3,f=-2.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -60:sc= 0.0305 USER MOD Single : A 43 ASN : amide:sc= -0.363 K(o=-0.36,f=-0.92) USER MOD Single : A 44 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -4.26 K(o=-4.3,f=-5.5) USER MOD Single : A 63 SER OG : rot 63:sc= 0.0589 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.16) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.5) USER MOD Single : A 90 THR OG1 : rot 104:sc= -0.235 USER MOD Single : A 91 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-2.3) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0191 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= 0.271 K(o=0.27,f=-3.7!) USER MOD Single : A 103 SER OG : rot 54:sc= 0.839 USER MOD Single : A 105 THR OG1 : rot 177:sc= 0.444 USER MOD Single : A 106 ASN : amide:sc= -0.0839 X(o=-0.084,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 6.066 10.971 -5.505 1.00 0.00 N ATOM 16 CA SER A 2 7.358 10.718 -4.883 1.00 0.00 C ATOM 17 C SER A 2 8.112 12.041 -4.731 1.00 0.00 C ATOM 18 O SER A 2 9.231 12.186 -5.219 1.00 0.00 O ATOM 19 CB SER A 2 8.135 9.685 -5.710 1.00 0.00 C ATOM 20 OG SER A 2 9.320 9.305 -5.043 1.00 0.00 O ATOM 0 HA SER A 2 7.229 10.298 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.512 8.808 -5.884 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.379 10.102 -6.687 1.00 0.00 H new ATOM 0 HG SER A 2 9.896 10.089 -4.928 1.00 0.00 H new ATOM 26 N ALA A 3 7.470 13.003 -4.053 1.00 0.00 N ATOM 27 CA ALA A 3 7.962 14.351 -3.775 1.00 0.00 C ATOM 28 C ALA A 3 8.027 15.208 -5.041 1.00 0.00 C ATOM 29 O ALA A 3 8.104 14.682 -6.151 1.00 0.00 O ATOM 30 CB ALA A 3 9.307 14.317 -3.038 1.00 0.00 C ATOM 0 H ALA A 3 6.540 12.847 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 3 7.241 14.827 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.643 15.336 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.190 13.790 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.045 13.800 -3.651 1.00 0.00 H new ATOM 36 N THR A 4 7.987 16.536 -4.874 1.00 0.00 N ATOM 37 CA THR A 4 8.031 17.468 -5.992 1.00 0.00 C ATOM 38 C THR A 4 8.594 18.815 -5.529 1.00 0.00 C ATOM 39 O THR A 4 8.249 19.288 -4.450 1.00 0.00 O ATOM 40 CB THR A 4 6.643 17.559 -6.660 1.00 0.00 C ATOM 41 OG1 THR A 4 6.750 18.174 -7.926 1.00 0.00 O ATOM 42 CG2 THR A 4 5.607 18.327 -5.830 1.00 0.00 C ATOM 0 H THR A 4 7.923 16.987 -3.961 1.00 0.00 H new ATOM 0 HA THR A 4 8.711 17.107 -6.763 1.00 0.00 H new ATOM 0 HB THR A 4 6.292 16.531 -6.750 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.695 19.147 -7.823 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.657 18.349 -6.364 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.472 17.832 -4.868 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.955 19.347 -5.667 1.00 0.00 H new ATOM 50 N THR A 5 9.470 19.430 -6.335 1.00 0.00 N ATOM 51 CA THR A 5 10.091 20.711 -6.063 1.00 0.00 C ATOM 52 C THR A 5 9.593 21.690 -7.124 1.00 0.00 C ATOM 53 O THR A 5 9.754 21.467 -8.323 1.00 0.00 O ATOM 54 CB THR A 5 11.620 20.527 -6.004 1.00 0.00 C ATOM 55 OG1 THR A 5 12.027 20.438 -4.654 1.00 0.00 O ATOM 56 CG2 THR A 5 12.394 21.655 -6.684 1.00 0.00 C ATOM 0 H THR A 5 9.769 19.026 -7.223 1.00 0.00 H new ATOM 0 HA THR A 5 9.818 21.127 -5.093 1.00 0.00 H new ATOM 0 HB THR A 5 11.848 19.611 -6.548 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.999 20.319 -4.612 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.464 21.461 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.111 21.708 -7.735 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.160 22.602 -6.197 1.00 0.00 H new ATOM 64 N CYS A 6 8.972 22.774 -6.656 1.00 0.00 N ATOM 65 CA CYS A 6 8.395 23.828 -7.467 1.00 0.00 C ATOM 66 C CYS A 6 9.306 25.049 -7.374 1.00 0.00 C ATOM 67 O CYS A 6 9.045 25.983 -6.617 1.00 0.00 O ATOM 68 CB CYS A 6 6.976 24.078 -6.948 1.00 0.00 C ATOM 69 SG CYS A 6 5.642 23.104 -7.713 1.00 0.00 S ATOM 0 H CYS A 6 8.857 22.941 -5.656 1.00 0.00 H new ATOM 0 HA CYS A 6 8.320 23.568 -8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.967 23.884 -5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.746 25.135 -7.083 1.00 0.00 H new ATOM 74 N GLY A 7 10.390 25.013 -8.158 1.00 0.00 N ATOM 75 CA GLY A 7 11.394 26.060 -8.221 1.00 0.00 C ATOM 76 C GLY A 7 12.274 26.016 -6.977 1.00 0.00 C ATOM 77 O GLY A 7 13.324 25.378 -6.985 1.00 0.00 O ATOM 0 H GLY A 7 10.590 24.230 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.006 25.934 -9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.911 27.034 -8.300 1.00 0.00 H new ATOM 81 N SER A 8 11.825 26.693 -5.913 1.00 0.00 N ATOM 82 CA SER A 8 12.505 26.782 -4.630 1.00 0.00 C ATOM 83 C SER A 8 11.672 26.098 -3.547 1.00 0.00 C ATOM 84 O SER A 8 12.228 25.394 -2.705 1.00 0.00 O ATOM 85 CB SER A 8 12.752 28.256 -4.292 1.00 0.00 C ATOM 86 OG SER A 8 13.466 28.366 -3.079 1.00 0.00 O ATOM 0 H SER A 8 10.946 27.210 -5.930 1.00 0.00 H new ATOM 0 HA SER A 8 13.466 26.271 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.313 28.732 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.801 28.782 -4.211 1.00 0.00 H new ATOM 0 HG SER A 8 13.619 29.312 -2.874 1.00 0.00 H new ATOM 92 N THR A 9 10.346 26.307 -3.565 1.00 0.00 N ATOM 93 CA THR A 9 9.428 25.735 -2.591 1.00 0.00 C ATOM 94 C THR A 9 9.345 24.220 -2.797 1.00 0.00 C ATOM 95 O THR A 9 8.649 23.747 -3.696 1.00 0.00 O ATOM 96 CB THR A 9 8.049 26.411 -2.693 1.00 0.00 C ATOM 97 OG1 THR A 9 8.186 27.812 -2.567 1.00 0.00 O ATOM 98 CG2 THR A 9 7.131 25.923 -1.567 1.00 0.00 C ATOM 0 H THR A 9 9.885 26.885 -4.267 1.00 0.00 H new ATOM 0 HA THR A 9 9.798 25.917 -1.582 1.00 0.00 H new ATOM 0 HB THR A 9 7.620 26.157 -3.662 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.304 28.234 -2.635 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.160 26.410 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.004 24.843 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.576 26.168 -0.603 1.00 0.00 H new ATOM 106 N ASN A 10 10.072 23.471 -1.959 1.00 0.00 N ATOM 107 CA ASN A 10 10.107 22.018 -1.993 1.00 0.00 C ATOM 108 C ASN A 10 8.878 21.437 -1.298 1.00 0.00 C ATOM 109 O ASN A 10 8.312 22.066 -0.403 1.00 0.00 O ATOM 110 CB ASN A 10 11.410 21.493 -1.369 1.00 0.00 C ATOM 111 CG ASN A 10 11.478 21.714 0.142 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.189 20.806 0.918 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.868 22.919 0.563 1.00 0.00 N ATOM 0 H ASN A 10 10.660 23.872 -1.228 1.00 0.00 H new ATOM 0 HA ASN A 10 10.085 21.692 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.504 20.428 -1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.258 21.988 -1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.935 23.113 1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.099 23.646 -0.114 1.00 0.00 H new ATOM 120 N TYR A 11 8.468 20.237 -1.725 1.00 0.00 N ATOM 121 CA TYR A 11 7.331 19.523 -1.171 1.00 0.00 C ATOM 122 C TYR A 11 7.654 18.039 -1.039 1.00 0.00 C ATOM 123 O TYR A 11 8.141 17.411 -1.977 1.00 0.00 O ATOM 124 CB TYR A 11 6.088 19.693 -2.055 1.00 0.00 C ATOM 125 CG TYR A 11 5.569 21.109 -2.196 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.204 21.830 -1.047 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.439 21.703 -3.466 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.709 23.134 -1.169 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.938 23.011 -3.586 1.00 0.00 C ATOM 130 CZ TYR A 11 4.563 23.723 -2.434 1.00 0.00 C ATOM 131 OH TYR A 11 4.063 24.988 -2.534 1.00 0.00 O ATOM 0 H TYR A 11 8.932 19.732 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 11 7.122 19.942 -0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.317 19.309 -3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.289 19.072 -1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.305 21.379 -0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.725 21.152 -4.350 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.438 23.690 -0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.842 23.467 -4.560 1.00 0.00 H new ATOM 0 HH TYR A 11 4.588 25.497 -3.187 1.00 0.00 H new ATOM 141 N SER A 12 7.370 17.495 0.147 1.00 0.00 N ATOM 142 CA SER A 12 7.557 16.098 0.499 1.00 0.00 C ATOM 143 C SER A 12 6.512 15.265 -0.212 1.00 0.00 C ATOM 144 O SER A 12 5.457 15.774 -0.591 1.00 0.00 O ATOM 145 CB SER A 12 7.405 15.945 2.016 1.00 0.00 C ATOM 146 OG SER A 12 8.410 16.676 2.686 1.00 0.00 O ATOM 0 H SER A 12 6.988 18.045 0.916 1.00 0.00 H new ATOM 0 HA SER A 12 8.549 15.761 0.199 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.421 16.297 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.468 14.892 2.290 1.00 0.00 H new ATOM 0 HG SER A 12 8.300 16.571 3.654 1.00 0.00 H new ATOM 152 N ALA A 13 6.820 13.975 -0.399 1.00 0.00 N ATOM 153 CA ALA A 13 5.879 13.046 -0.998 1.00 0.00 C ATOM 154 C ALA A 13 4.646 13.019 -0.087 1.00 0.00 C ATOM 155 O ALA A 13 3.558 12.659 -0.527 1.00 0.00 O ATOM 156 CB ALA A 13 6.510 11.655 -1.091 1.00 0.00 C ATOM 0 H ALA A 13 7.715 13.560 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 13 5.605 13.352 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.799 10.962 -1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.409 11.703 -1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.772 11.307 -0.092 1.00 0.00 H new ATOM 162 N SER A 14 4.833 13.424 1.181 1.00 0.00 N ATOM 163 CA SER A 14 3.792 13.491 2.190 1.00 0.00 C ATOM 164 C SER A 14 2.838 14.639 1.859 1.00 0.00 C ATOM 165 O SER A 14 1.630 14.485 2.000 1.00 0.00 O ATOM 166 CB SER A 14 4.428 13.700 3.567 1.00 0.00 C ATOM 167 OG SER A 14 5.312 12.640 3.863 1.00 0.00 O ATOM 0 H SER A 14 5.744 13.720 1.530 1.00 0.00 H new ATOM 0 HA SER A 14 3.228 12.558 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.966 14.648 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.651 13.758 4.329 1.00 0.00 H new ATOM 0 HG SER A 14 5.714 12.786 4.745 1.00 0.00 H new ATOM 173 N GLN A 15 3.381 15.782 1.411 1.00 0.00 N ATOM 174 CA GLN A 15 2.621 16.975 1.057 1.00 0.00 C ATOM 175 C GLN A 15 1.746 16.723 -0.172 1.00 0.00 C ATOM 176 O GLN A 15 0.559 17.042 -0.168 1.00 0.00 O ATOM 177 CB GLN A 15 3.573 18.157 0.791 1.00 0.00 C ATOM 178 CG GLN A 15 3.138 19.438 1.518 1.00 0.00 C ATOM 179 CD GLN A 15 3.810 19.593 2.882 1.00 0.00 C ATOM 180 OE1 GLN A 15 4.379 20.643 3.175 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.764 18.552 3.718 1.00 0.00 N ATOM 0 H GLN A 15 4.387 15.897 1.284 1.00 0.00 H new ATOM 0 HA GLN A 15 1.972 17.222 1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.580 17.887 1.109 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.618 18.349 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.377 20.303 0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.056 19.428 1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.283 17.696 3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.210 18.613 4.633 1.00 0.00 H new ATOM 190 N VAL A 16 2.359 16.159 -1.217 1.00 0.00 N ATOM 191 CA VAL A 16 1.727 15.838 -2.489 1.00 0.00 C ATOM 192 C VAL A 16 0.577 14.855 -2.258 1.00 0.00 C ATOM 193 O VAL A 16 -0.533 15.078 -2.740 1.00 0.00 O ATOM 194 CB VAL A 16 2.747 15.231 -3.465 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.102 14.936 -4.822 1.00 0.00 C ATOM 196 CG2 VAL A 16 3.894 16.207 -3.712 1.00 0.00 C ATOM 0 H VAL A 16 3.347 15.906 -1.194 1.00 0.00 H new ATOM 0 HA VAL A 16 1.337 16.757 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 16 3.112 14.309 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.846 14.507 -5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.283 14.229 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.717 15.861 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.608 15.762 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.501 17.130 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.394 16.427 -2.769 1.00 0.00 H new ATOM 206 N ARG A 17 0.855 13.777 -1.509 1.00 0.00 N ATOM 207 CA ARG A 17 -0.113 12.730 -1.205 1.00 0.00 C ATOM 208 C ARG A 17 -1.235 13.222 -0.296 1.00 0.00 C ATOM 209 O ARG A 17 -2.385 12.846 -0.507 1.00 0.00 O ATOM 210 CB ARG A 17 0.573 11.518 -0.571 1.00 0.00 C ATOM 211 CG ARG A 17 1.353 10.721 -1.622 1.00 0.00 C ATOM 212 CD ARG A 17 2.150 9.571 -0.991 1.00 0.00 C ATOM 213 NE ARG A 17 1.306 8.688 -0.176 1.00 0.00 N ATOM 214 CZ ARG A 17 0.431 7.784 -0.649 1.00 0.00 C ATOM 215 NH1 ARG A 17 0.280 7.585 -1.968 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.306 7.071 0.215 1.00 0.00 N ATOM 0 H ARG A 17 1.773 13.613 -1.095 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.559 12.435 -2.155 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.250 11.849 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.173 10.877 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.660 10.320 -2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.034 11.387 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.627 8.988 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.947 9.982 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 17 1.391 8.768 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.835 8.125 -2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.390 6.894 -2.306 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.199 7.218 1.219 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.974 6.382 -0.132 1.00 0.00 H new ATOM 230 N ALA A 18 -0.915 14.045 0.710 1.00 0.00 N ATOM 231 CA ALA A 18 -1.915 14.579 1.626 1.00 0.00 C ATOM 232 C ALA A 18 -2.889 15.454 0.841 1.00 0.00 C ATOM 233 O ALA A 18 -4.106 15.289 0.942 1.00 0.00 O ATOM 234 CB ALA A 18 -1.240 15.372 2.749 1.00 0.00 C ATOM 0 H ALA A 18 0.037 14.354 0.906 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.467 13.761 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.000 15.764 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.566 14.718 3.302 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.673 16.199 2.321 1.00 0.00 H new ATOM 240 N ALA A 19 -2.328 16.376 0.045 1.00 0.00 N ATOM 241 CA ALA A 19 -3.079 17.292 -0.787 1.00 0.00 C ATOM 242 C ALA A 19 -3.942 16.515 -1.775 1.00 0.00 C ATOM 243 O ALA A 19 -5.079 16.902 -2.025 1.00 0.00 O ATOM 244 CB ALA A 19 -2.129 18.269 -1.502 1.00 0.00 C ATOM 0 H ALA A 19 -1.318 16.498 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.745 17.884 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.709 18.951 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.569 18.840 -0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.435 17.709 -2.128 1.00 0.00 H new ATOM 250 N ALA A 20 -3.424 15.410 -2.325 1.00 0.00 N ATOM 251 CA ALA A 20 -4.170 14.619 -3.288 1.00 0.00 C ATOM 252 C ALA A 20 -5.328 13.859 -2.676 1.00 0.00 C ATOM 253 O ALA A 20 -6.422 13.876 -3.237 1.00 0.00 O ATOM 254 CB ALA A 20 -3.239 13.726 -4.107 1.00 0.00 C ATOM 0 H ALA A 20 -2.493 15.051 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.635 15.323 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.825 13.146 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.522 14.345 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.705 13.049 -3.440 1.00 0.00 H new ATOM 260 N ASN A 21 -5.099 13.191 -1.545 1.00 0.00 N ATOM 261 CA ASN A 21 -6.156 12.470 -0.857 1.00 0.00 C ATOM 262 C ASN A 21 -7.213 13.478 -0.372 1.00 0.00 C ATOM 263 O ASN A 21 -8.362 13.105 -0.126 1.00 0.00 O ATOM 264 CB ASN A 21 -5.546 11.685 0.312 1.00 0.00 C ATOM 265 CG ASN A 21 -6.594 10.860 1.057 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.968 11.195 2.178 1.00 0.00 O ATOM 267 ND2 ASN A 21 -7.065 9.778 0.431 1.00 0.00 N ATOM 0 H ASN A 21 -4.188 13.138 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.642 11.760 -1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.765 11.024 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.071 12.379 1.006 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.765 9.191 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.724 9.539 -0.500 1.00 0.00 H new ATOM 274 N ALA A 22 -6.829 14.762 -0.260 1.00 0.00 N ATOM 275 CA ALA A 22 -7.720 15.804 0.226 1.00 0.00 C ATOM 276 C ALA A 22 -8.616 16.246 -0.925 1.00 0.00 C ATOM 277 O ALA A 22 -9.835 16.218 -0.766 1.00 0.00 O ATOM 278 CB ALA A 22 -6.920 16.915 0.903 1.00 0.00 C ATOM 0 H ALA A 22 -5.896 15.094 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.385 15.439 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.601 17.687 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.364 16.502 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.223 17.350 0.187 1.00 0.00 H new ATOM 284 N ALA A 23 -8.037 16.663 -2.064 1.00 0.00 N ATOM 285 CA ALA A 23 -8.826 17.044 -3.236 1.00 0.00 C ATOM 286 C ALA A 23 -9.743 15.884 -3.604 1.00 0.00 C ATOM 287 O ALA A 23 -10.901 16.106 -3.918 1.00 0.00 O ATOM 288 CB ALA A 23 -7.966 17.371 -4.458 1.00 0.00 C ATOM 0 H ALA A 23 -7.028 16.743 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.382 17.943 -2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.610 17.646 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.301 18.202 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.373 16.498 -4.730 1.00 0.00 H new ATOM 294 N CYS A 24 -9.225 14.652 -3.578 1.00 0.00 N ATOM 295 CA CYS A 24 -9.978 13.446 -3.881 1.00 0.00 C ATOM 296 C CYS A 24 -11.285 13.405 -3.082 1.00 0.00 C ATOM 297 O CYS A 24 -12.355 13.253 -3.666 1.00 0.00 O ATOM 298 CB CYS A 24 -9.074 12.245 -3.595 1.00 0.00 C ATOM 299 SG CYS A 24 -9.856 10.620 -3.611 1.00 0.00 S ATOM 0 H CYS A 24 -8.250 14.469 -3.340 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.271 13.425 -4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.269 12.242 -4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.613 12.391 -2.618 1.00 0.00 H new ATOM 304 N GLN A 25 -11.206 13.556 -1.754 1.00 0.00 N ATOM 305 CA GLN A 25 -12.367 13.537 -0.869 1.00 0.00 C ATOM 306 C GLN A 25 -13.321 14.726 -1.079 1.00 0.00 C ATOM 307 O GLN A 25 -14.537 14.549 -1.135 1.00 0.00 O ATOM 308 CB GLN A 25 -11.840 13.510 0.573 1.00 0.00 C ATOM 309 CG GLN A 25 -12.949 13.360 1.619 1.00 0.00 C ATOM 310 CD GLN A 25 -12.374 13.358 3.032 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.511 14.338 3.762 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.724 12.257 3.422 1.00 0.00 N ATOM 0 H GLN A 25 -10.323 13.696 -1.263 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.964 12.653 -1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.135 12.686 0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.287 14.429 0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.664 14.176 1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.495 12.433 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.633 11.466 2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.319 12.208 4.357 1.00 0.00 H new ATOM 321 N TYR A 26 -12.754 15.929 -1.208 1.00 0.00 N ATOM 322 CA TYR A 26 -13.417 17.218 -1.369 1.00 0.00 C ATOM 323 C TYR A 26 -14.191 17.311 -2.691 1.00 0.00 C ATOM 324 O TYR A 26 -15.408 17.501 -2.698 1.00 0.00 O ATOM 325 CB TYR A 26 -12.295 18.257 -1.214 1.00 0.00 C ATOM 326 CG TYR A 26 -12.512 19.748 -1.401 1.00 0.00 C ATOM 327 CD1 TYR A 26 -13.728 20.325 -1.818 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.410 20.581 -1.131 1.00 0.00 C ATOM 329 CE1 TYR A 26 -13.829 21.718 -1.968 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.519 21.972 -1.260 1.00 0.00 C ATOM 331 CZ TYR A 26 -12.731 22.545 -1.680 1.00 0.00 C ATOM 332 OH TYR A 26 -12.832 23.900 -1.815 1.00 0.00 O ATOM 0 H TYR A 26 -11.739 16.030 -1.202 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.196 17.387 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.891 18.128 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -11.510 17.969 -1.913 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -14.582 19.696 -2.022 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.472 20.144 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.756 22.156 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.672 22.603 -1.037 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.945 24.278 -1.992 1.00 0.00 H new ATOM 342 N TYR A 27 -13.475 17.157 -3.805 1.00 0.00 N ATOM 343 CA TYR A 27 -13.957 17.259 -5.178 1.00 0.00 C ATOM 344 C TYR A 27 -14.973 16.178 -5.557 1.00 0.00 C ATOM 345 O TYR A 27 -15.782 16.409 -6.456 1.00 0.00 O ATOM 346 CB TYR A 27 -12.758 17.253 -6.149 1.00 0.00 C ATOM 347 CG TYR A 27 -13.145 17.209 -7.618 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.681 18.343 -8.261 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.976 16.012 -8.343 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.055 18.264 -9.618 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.348 15.941 -9.694 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.891 17.064 -10.332 1.00 0.00 C ATOM 353 OH TYR A 27 -14.251 16.982 -11.646 1.00 0.00 O ATOM 0 H TYR A 27 -12.478 16.944 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.495 18.204 -5.256 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.156 18.144 -5.970 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.128 16.392 -5.925 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.805 19.268 -7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.557 15.144 -7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.470 19.130 -10.112 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.216 15.020 -10.242 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.067 16.079 -11.980 1.00 0.00 H new ATOM 363 N GLN A 28 -14.958 15.018 -4.890 1.00 0.00 N ATOM 364 CA GLN A 28 -15.876 13.939 -5.231 1.00 0.00 C ATOM 365 C GLN A 28 -17.286 14.208 -4.721 1.00 0.00 C ATOM 366 O GLN A 28 -18.210 14.341 -5.523 1.00 0.00 O ATOM 367 CB GLN A 28 -15.365 12.584 -4.722 1.00 0.00 C ATOM 368 CG GLN A 28 -14.368 11.977 -5.718 1.00 0.00 C ATOM 369 CD GLN A 28 -13.817 10.640 -5.229 1.00 0.00 C ATOM 370 OE1 GLN A 28 -12.618 10.509 -5.003 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.689 9.642 -5.067 1.00 0.00 N ATOM 0 H GLN A 28 -14.324 14.809 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.921 13.897 -6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.886 12.711 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.204 11.903 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.857 11.837 -6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.544 12.673 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.678 9.792 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.366 8.730 -4.744 1.00 0.00 H new ATOM 380 N ASN A 29 -17.445 14.299 -3.397 1.00 0.00 N ATOM 381 CA ASN A 29 -18.755 14.519 -2.786 1.00 0.00 C ATOM 382 C ASN A 29 -18.643 14.951 -1.326 1.00 0.00 C ATOM 383 O ASN A 29 -19.431 15.780 -0.874 1.00 0.00 O ATOM 384 CB ASN A 29 -19.588 13.230 -2.879 1.00 0.00 C ATOM 385 CG ASN A 29 -21.055 13.459 -2.509 1.00 0.00 C ATOM 386 OD1 ASN A 29 -21.902 13.624 -3.385 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.362 13.473 -1.208 1.00 0.00 N ATOM 0 H ASN A 29 -16.679 14.223 -2.728 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.244 15.326 -3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.529 12.834 -3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.162 12.476 -2.217 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -22.327 13.624 -0.913 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.632 13.332 -0.510 1.00 0.00 H new ATOM 394 N ASP A 30 -17.677 14.383 -0.591 1.00 0.00 N ATOM 395 CA ASP A 30 -17.437 14.664 0.817 1.00 0.00 C ATOM 396 C ASP A 30 -16.627 15.954 0.930 1.00 0.00 C ATOM 397 O ASP A 30 -15.503 15.962 1.429 1.00 0.00 O ATOM 398 CB ASP A 30 -16.741 13.460 1.469 1.00 0.00 C ATOM 399 CG ASP A 30 -17.578 12.188 1.339 1.00 0.00 C ATOM 400 OD1 ASP A 30 -18.646 12.139 1.989 1.00 0.00 O ATOM 401 OD2 ASP A 30 -17.139 11.292 0.585 1.00 0.00 O ATOM 0 H ASP A 30 -17.027 13.698 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.374 14.815 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.768 13.305 1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -16.560 13.671 2.523 1.00 0.00 H new ATOM 406 N ASP A 31 -17.235 17.040 0.440 1.00 0.00 N ATOM 407 CA ASP A 31 -16.707 18.390 0.425 1.00 0.00 C ATOM 408 C ASP A 31 -16.190 18.815 1.796 1.00 0.00 C ATOM 409 O ASP A 31 -16.951 18.886 2.759 1.00 0.00 O ATOM 410 CB ASP A 31 -17.772 19.375 -0.060 1.00 0.00 C ATOM 411 CG ASP A 31 -18.085 19.218 -1.548 1.00 0.00 C ATOM 412 OD1 ASP A 31 -17.351 19.834 -2.353 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.054 18.492 -1.857 1.00 0.00 O ATOM 0 H ASP A 31 -18.163 16.986 0.021 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.864 18.400 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.685 19.230 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.433 20.393 0.131 1.00 0.00 H new ATOM 418 N THR A 32 -14.885 19.098 1.854 1.00 0.00 N ATOM 419 CA THR A 32 -14.193 19.550 3.056 1.00 0.00 C ATOM 420 C THR A 32 -14.229 21.086 3.106 1.00 0.00 C ATOM 421 O THR A 32 -14.071 21.683 4.169 1.00 0.00 O ATOM 422 CB THR A 32 -12.763 18.987 3.122 1.00 0.00 C ATOM 423 OG1 THR A 32 -12.275 19.062 4.447 1.00 0.00 O ATOM 424 CG2 THR A 32 -11.808 19.759 2.219 1.00 0.00 C ATOM 0 H THR A 32 -14.269 19.016 1.045 1.00 0.00 H new ATOM 0 HA THR A 32 -14.703 19.168 3.940 1.00 0.00 H new ATOM 0 HB THR A 32 -12.810 17.952 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.365 18.700 4.481 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.809 19.330 2.295 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.153 19.696 1.187 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.779 20.804 2.529 1.00 0.00 H new ATOM 432 N ALA A 33 -14.451 21.707 1.938 1.00 0.00 N ATOM 433 CA ALA A 33 -14.511 23.135 1.688 1.00 0.00 C ATOM 434 C ALA A 33 -15.363 23.358 0.433 1.00 0.00 C ATOM 435 O ALA A 33 -16.027 22.434 -0.033 1.00 0.00 O ATOM 436 CB ALA A 33 -13.060 23.592 1.528 1.00 0.00 C ATOM 0 H ALA A 33 -14.604 21.172 1.083 1.00 0.00 H new ATOM 0 HA ALA A 33 -14.974 23.711 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.035 24.665 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.507 23.374 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.602 23.064 0.692 1.00 0.00 H new ATOM 442 N GLY A 34 -15.369 24.576 -0.123 1.00 0.00 N ATOM 443 CA GLY A 34 -16.140 24.856 -1.332 1.00 0.00 C ATOM 444 C GLY A 34 -15.949 26.281 -1.852 1.00 0.00 C ATOM 445 O GLY A 34 -15.694 27.196 -1.071 1.00 0.00 O ATOM 0 H GLY A 34 -14.852 25.375 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.851 24.150 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.198 24.690 -1.127 1.00 0.00 H new ATOM 449 N SER A 35 -16.069 26.452 -3.180 1.00 0.00 N ATOM 450 CA SER A 35 -15.947 27.734 -3.867 1.00 0.00 C ATOM 451 C SER A 35 -16.753 27.692 -5.171 1.00 0.00 C ATOM 452 O SER A 35 -17.981 27.642 -5.108 1.00 0.00 O ATOM 453 CB SER A 35 -14.474 28.104 -4.080 1.00 0.00 C ATOM 454 OG SER A 35 -13.845 28.416 -2.856 1.00 0.00 O ATOM 0 H SER A 35 -16.259 25.677 -3.815 1.00 0.00 H new ATOM 0 HA SER A 35 -16.366 28.527 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.953 27.275 -4.559 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.404 28.957 -4.756 1.00 0.00 H new ATOM 0 HG SER A 35 -14.441 28.184 -2.113 1.00 0.00 H new ATOM 460 N SER A 36 -16.091 27.703 -6.344 1.00 0.00 N ATOM 461 CA SER A 36 -16.757 27.691 -7.646 1.00 0.00 C ATOM 462 C SER A 36 -15.861 27.127 -8.754 1.00 0.00 C ATOM 463 O SER A 36 -16.260 26.185 -9.436 1.00 0.00 O ATOM 464 CB SER A 36 -17.215 29.105 -8.035 1.00 0.00 C ATOM 465 OG SER A 36 -18.194 29.602 -7.148 1.00 0.00 O ATOM 0 H SER A 36 -15.073 27.721 -6.407 1.00 0.00 H new ATOM 0 HA SER A 36 -17.623 27.037 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.356 29.776 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 36 -17.616 29.091 -9.048 1.00 0.00 H new ATOM 0 HG SER A 36 -18.353 28.947 -6.436 1.00 0.00 H new ATOM 471 N THR A 37 -14.665 27.704 -8.941 1.00 0.00 N ATOM 472 CA THR A 37 -13.707 27.293 -9.966 1.00 0.00 C ATOM 473 C THR A 37 -12.802 26.181 -9.433 1.00 0.00 C ATOM 474 O THR A 37 -12.735 25.097 -10.013 1.00 0.00 O ATOM 475 CB THR A 37 -12.901 28.512 -10.446 1.00 0.00 C ATOM 476 OG1 THR A 37 -12.278 29.161 -9.353 1.00 0.00 O ATOM 477 CG2 THR A 37 -13.796 29.527 -11.166 1.00 0.00 C ATOM 0 H THR A 37 -14.335 28.483 -8.371 1.00 0.00 H new ATOM 0 HA THR A 37 -14.243 26.889 -10.825 1.00 0.00 H new ATOM 0 HB THR A 37 -12.147 28.141 -11.140 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.769 29.933 -9.678 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.195 30.376 -11.492 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.257 29.055 -12.033 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.574 29.874 -10.485 1.00 0.00 H new ATOM 485 N TYR A 38 -12.107 26.463 -8.327 1.00 0.00 N ATOM 486 CA TYR A 38 -11.216 25.542 -7.641 1.00 0.00 C ATOM 487 C TYR A 38 -12.058 24.825 -6.562 1.00 0.00 C ATOM 488 O TYR A 38 -13.049 25.392 -6.107 1.00 0.00 O ATOM 489 CB TYR A 38 -10.072 26.376 -6.972 1.00 0.00 C ATOM 490 CG TYR A 38 -9.979 26.113 -5.480 1.00 0.00 C ATOM 491 CD1 TYR A 38 -11.007 26.617 -4.659 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.924 25.374 -4.913 1.00 0.00 C ATOM 493 CE1 TYR A 38 -11.026 26.370 -3.286 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.950 25.146 -3.524 1.00 0.00 C ATOM 495 CZ TYR A 38 -9.992 25.624 -2.712 1.00 0.00 C ATOM 496 OH TYR A 38 -9.997 25.369 -1.371 1.00 0.00 O ATOM 0 H TYR A 38 -12.156 27.375 -7.873 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.772 24.813 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.120 26.131 -7.444 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.249 27.438 -7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -11.796 27.207 -5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.119 24.994 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -11.830 26.751 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -8.145 24.587 -3.069 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.208 24.837 -1.136 1.00 0.00 H new ATOM 506 N PRO A 39 -11.713 23.597 -6.139 1.00 0.00 N ATOM 507 CA PRO A 39 -10.664 22.750 -6.651 1.00 0.00 C ATOM 508 C PRO A 39 -11.363 21.777 -7.596 1.00 0.00 C ATOM 509 O PRO A 39 -11.270 20.560 -7.440 1.00 0.00 O ATOM 510 CB PRO A 39 -10.095 22.051 -5.407 1.00 0.00 C ATOM 511 CG PRO A 39 -11.206 22.176 -4.367 1.00 0.00 C ATOM 512 CD PRO A 39 -12.368 22.855 -5.088 1.00 0.00 C ATOM 0 HA PRO A 39 -9.859 23.249 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.856 21.007 -5.611 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.176 22.528 -5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.499 21.197 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.877 22.766 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.074 22.128 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.929 23.510 -4.421 1.00 0.00 H new ATOM 520 N HIS A 40 -12.074 22.350 -8.575 1.00 0.00 N ATOM 521 CA HIS A 40 -12.852 21.626 -9.555 1.00 0.00 C ATOM 522 C HIS A 40 -12.203 21.638 -10.939 1.00 0.00 C ATOM 523 O HIS A 40 -11.035 22.013 -11.083 1.00 0.00 O ATOM 524 CB HIS A 40 -14.307 22.134 -9.516 1.00 0.00 C ATOM 525 CG HIS A 40 -14.759 22.610 -8.150 1.00 0.00 C ATOM 526 ND1 HIS A 40 -14.872 23.875 -7.636 1.00 0.00 N flip ATOM 527 CD2 HIS A 40 -15.153 21.777 -7.111 1.00 0.00 C flip ATOM 528 CE1 HIS A 40 -15.341 23.859 -6.330 1.00 0.00 C flip ATOM 529 NE2 HIS A 40 -15.471 22.564 -6.061 1.00 0.00 N flip ATOM 0 H HIS A 40 -12.117 23.361 -8.700 1.00 0.00 H new ATOM 0 HA HIS A 40 -12.876 20.567 -9.299 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.414 22.952 -10.228 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.969 21.334 -9.848 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.197 20.698 -7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.551 24.700 -5.685 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.778 22.203 -5.158 1.00 0.00 H new ATOM 537 N THR A 41 -12.994 21.197 -11.927 1.00 0.00 N ATOM 538 CA THR A 41 -12.684 21.054 -13.343 1.00 0.00 C ATOM 539 C THR A 41 -11.714 22.084 -13.918 1.00 0.00 C ATOM 540 O THR A 41 -11.768 23.271 -13.604 1.00 0.00 O ATOM 541 CB THR A 41 -13.974 21.045 -14.177 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.774 22.165 -13.858 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.767 19.753 -13.966 1.00 0.00 C ATOM 0 H THR A 41 -13.952 20.907 -11.730 1.00 0.00 H new ATOM 0 HA THR A 41 -12.164 20.098 -13.409 1.00 0.00 H new ATOM 0 HB THR A 41 -13.690 21.098 -15.228 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.592 22.147 -14.398 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.674 19.780 -14.571 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.158 18.899 -14.263 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.035 19.659 -12.914 1.00 0.00 H new ATOM 551 N TYR A 42 -10.832 21.570 -14.781 1.00 0.00 N ATOM 552 CA TYR A 42 -9.802 22.286 -15.508 1.00 0.00 C ATOM 553 C TYR A 42 -9.575 21.486 -16.789 1.00 0.00 C ATOM 554 O TYR A 42 -9.348 20.279 -16.718 1.00 0.00 O ATOM 555 CB TYR A 42 -8.522 22.392 -14.665 1.00 0.00 C ATOM 556 CG TYR A 42 -7.309 22.893 -15.431 1.00 0.00 C ATOM 557 CD1 TYR A 42 -7.371 24.105 -16.147 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.114 22.146 -15.436 1.00 0.00 C ATOM 559 CE1 TYR A 42 -6.253 24.560 -16.865 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.998 22.598 -16.161 1.00 0.00 C ATOM 561 CZ TYR A 42 -5.069 23.803 -16.883 1.00 0.00 C ATOM 562 OH TYR A 42 -3.989 24.242 -17.593 1.00 0.00 O ATOM 0 H TYR A 42 -10.826 20.573 -14.998 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.095 23.311 -15.736 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.708 23.061 -13.825 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.294 21.412 -14.247 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.281 24.686 -16.144 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.055 21.222 -14.880 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.303 25.494 -17.405 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.086 22.020 -16.164 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.229 24.317 -18.540 1.00 0.00 H new ATOM 572 N ASN A 43 -9.649 22.148 -17.950 1.00 0.00 N ATOM 573 CA ASN A 43 -9.472 21.520 -19.256 1.00 0.00 C ATOM 574 C ASN A 43 -8.870 22.519 -20.244 1.00 0.00 C ATOM 575 O ASN A 43 -7.870 22.214 -20.893 1.00 0.00 O ATOM 576 CB ASN A 43 -10.817 20.997 -19.789 1.00 0.00 C ATOM 577 CG ASN A 43 -11.435 19.918 -18.900 1.00 0.00 C ATOM 578 OD1 ASN A 43 -11.097 18.742 -19.021 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.347 20.317 -18.009 1.00 0.00 N ATOM 0 H ASN A 43 -9.836 23.149 -18.005 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.790 20.677 -19.145 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.515 21.830 -19.878 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.672 20.594 -20.792 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.793 19.635 -17.395 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.598 21.304 -17.943 1.00 0.00 H new ATOM 586 N ASN A 44 -9.485 23.707 -20.350 1.00 0.00 N ATOM 587 CA ASN A 44 -9.073 24.781 -21.245 1.00 0.00 C ATOM 588 C ASN A 44 -7.628 25.219 -20.977 1.00 0.00 C ATOM 589 O ASN A 44 -7.106 25.002 -19.886 1.00 0.00 O ATOM 590 CB ASN A 44 -10.057 25.951 -21.100 1.00 0.00 C ATOM 591 CG ASN A 44 -9.894 26.980 -22.219 1.00 0.00 C ATOM 592 OD1 ASN A 44 -10.189 26.689 -23.376 1.00 0.00 O ATOM 593 ND2 ASN A 44 -9.430 28.185 -21.879 1.00 0.00 N ATOM 0 H ASN A 44 -10.307 23.946 -19.795 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.095 24.419 -22.273 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.078 25.569 -21.105 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.903 26.436 -20.136 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.309 28.905 -22.592 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.197 28.386 -20.907 1.00 0.00 H new ATOM 600 N TYR A 45 -6.998 25.845 -21.984 1.00 0.00 N ATOM 601 CA TYR A 45 -5.622 26.325 -21.965 1.00 0.00 C ATOM 602 C TYR A 45 -4.663 25.137 -21.890 1.00 0.00 C ATOM 603 O TYR A 45 -4.464 24.551 -20.827 1.00 0.00 O ATOM 604 CB TYR A 45 -5.356 27.374 -20.868 1.00 0.00 C ATOM 605 CG TYR A 45 -5.374 28.804 -21.376 1.00 0.00 C ATOM 606 CD1 TYR A 45 -4.298 29.285 -22.148 1.00 0.00 C ATOM 607 CD2 TYR A 45 -6.458 29.653 -21.088 1.00 0.00 C ATOM 608 CE1 TYR A 45 -4.307 30.606 -22.629 1.00 0.00 C ATOM 609 CE2 TYR A 45 -6.466 30.975 -21.570 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.391 31.451 -22.339 1.00 0.00 C ATOM 611 OH TYR A 45 -5.400 32.736 -22.801 1.00 0.00 O ATOM 0 H TYR A 45 -7.463 26.035 -22.872 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.442 26.857 -22.899 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.106 27.266 -20.085 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.387 27.172 -20.411 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.463 28.637 -22.371 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.285 29.290 -20.496 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.481 30.971 -23.221 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.300 31.625 -21.348 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.223 33.182 -22.511 1.00 0.00 H new ATOM 621 N GLU A 46 -4.064 24.796 -23.037 1.00 0.00 N ATOM 622 CA GLU A 46 -3.132 23.689 -23.173 1.00 0.00 C ATOM 623 C GLU A 46 -1.729 24.125 -22.736 1.00 0.00 C ATOM 624 O GLU A 46 -1.593 24.883 -21.775 1.00 0.00 O ATOM 625 CB GLU A 46 -3.190 23.131 -24.607 1.00 0.00 C ATOM 626 CG GLU A 46 -4.621 22.805 -25.056 1.00 0.00 C ATOM 627 CD GLU A 46 -5.298 21.812 -24.113 1.00 0.00 C ATOM 628 OE1 GLU A 46 -4.979 20.608 -24.235 1.00 0.00 O ATOM 629 OE2 GLU A 46 -6.114 22.276 -23.284 1.00 0.00 O ATOM 0 H GLU A 46 -4.222 25.298 -23.911 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.415 22.870 -22.511 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.754 23.857 -25.293 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.580 22.230 -24.667 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.207 23.723 -25.099 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.601 22.393 -26.065 1.00 0.00 H new ATOM 636 N GLY A 47 -0.679 23.653 -23.422 1.00 0.00 N ATOM 637 CA GLY A 47 0.700 23.973 -23.081 1.00 0.00 C ATOM 638 C GLY A 47 1.111 23.321 -21.757 1.00 0.00 C ATOM 639 O GLY A 47 2.154 23.662 -21.204 1.00 0.00 O ATOM 0 H GLY A 47 -0.770 23.037 -24.230 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.362 23.633 -23.877 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.818 25.054 -23.008 1.00 0.00 H new ATOM 643 N PHE A 48 0.293 22.379 -21.264 1.00 0.00 N ATOM 644 CA PHE A 48 0.477 21.643 -20.029 1.00 0.00 C ATOM 645 C PHE A 48 -0.344 20.367 -20.099 1.00 0.00 C ATOM 646 O PHE A 48 -1.474 20.372 -20.588 1.00 0.00 O ATOM 647 CB PHE A 48 0.019 22.478 -18.819 1.00 0.00 C ATOM 648 CG PHE A 48 1.171 23.199 -18.165 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.063 22.468 -17.362 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.361 24.577 -18.363 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.153 23.120 -16.760 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.450 25.228 -17.760 1.00 0.00 C ATOM 653 CZ PHE A 48 3.347 24.499 -16.962 1.00 0.00 C ATOM 0 H PHE A 48 -0.559 22.104 -21.753 1.00 0.00 H new ATOM 0 HA PHE A 48 1.535 21.413 -19.906 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.728 23.204 -19.141 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.463 21.827 -18.090 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.912 21.410 -17.208 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.671 25.135 -18.978 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.842 22.563 -16.142 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.597 26.287 -17.910 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.187 24.998 -16.502 1.00 0.00 H new ATOM 663 N ASP A 49 0.245 19.279 -19.601 1.00 0.00 N ATOM 664 CA ASP A 49 -0.381 17.977 -19.559 1.00 0.00 C ATOM 665 C ASP A 49 0.408 17.058 -18.634 1.00 0.00 C ATOM 666 O ASP A 49 1.539 17.361 -18.253 1.00 0.00 O ATOM 667 CB ASP A 49 -0.531 17.381 -20.972 1.00 0.00 C ATOM 668 CG ASP A 49 -2.000 17.254 -21.370 1.00 0.00 C ATOM 669 OD1 ASP A 49 -2.680 16.400 -20.758 1.00 0.00 O ATOM 670 OD2 ASP A 49 -2.417 18.009 -22.273 1.00 0.00 O ATOM 0 H ASP A 49 1.187 19.289 -19.211 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.389 18.082 -19.158 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.011 18.013 -21.692 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.057 16.400 -21.007 1.00 0.00 H new ATOM 675 N PHE A 50 -0.218 15.929 -18.285 1.00 0.00 N ATOM 676 CA PHE A 50 0.331 14.917 -17.398 1.00 0.00 C ATOM 677 C PHE A 50 0.085 13.532 -18.004 1.00 0.00 C ATOM 678 O PHE A 50 -0.753 13.412 -18.900 1.00 0.00 O ATOM 679 CB PHE A 50 -0.375 15.047 -16.039 1.00 0.00 C ATOM 680 CG PHE A 50 -0.504 16.468 -15.513 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.642 17.199 -15.153 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.774 17.066 -15.396 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.520 18.512 -14.662 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.896 18.376 -14.902 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.749 19.098 -14.530 1.00 0.00 C ATOM 0 H PHE A 50 -1.150 15.694 -18.627 1.00 0.00 H new ATOM 0 HA PHE A 50 1.405 15.050 -17.267 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.372 14.615 -16.122 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.170 14.453 -15.306 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.620 16.751 -15.254 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.657 16.516 -15.687 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.403 19.069 -14.387 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.872 18.828 -14.808 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.844 20.102 -14.143 1.00 0.00 H new ATOM 695 N PRO A 51 0.806 12.484 -17.558 1.00 0.00 N ATOM 696 CA PRO A 51 0.634 11.116 -18.037 1.00 0.00 C ATOM 697 C PRO A 51 -0.824 10.650 -17.989 1.00 0.00 C ATOM 698 O PRO A 51 -1.298 9.997 -18.920 1.00 0.00 O ATOM 699 CB PRO A 51 1.511 10.242 -17.138 1.00 0.00 C ATOM 700 CG PRO A 51 2.609 11.201 -16.694 1.00 0.00 C ATOM 701 CD PRO A 51 1.866 12.530 -16.563 1.00 0.00 C ATOM 0 HA PRO A 51 0.923 11.048 -19.086 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.952 9.847 -16.289 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.916 9.386 -17.678 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.057 10.893 -15.749 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.415 11.259 -17.425 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.457 12.654 -15.560 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.535 13.372 -16.741 1.00 0.00 H new ATOM 709 N VAL A 52 -1.531 11.001 -16.902 1.00 0.00 N ATOM 710 CA VAL A 52 -2.927 10.633 -16.694 1.00 0.00 C ATOM 711 C VAL A 52 -3.840 11.535 -17.528 1.00 0.00 C ATOM 712 O VAL A 52 -3.420 12.563 -18.055 1.00 0.00 O ATOM 713 CB VAL A 52 -3.346 10.682 -15.204 1.00 0.00 C ATOM 714 CG1 VAL A 52 -4.028 9.371 -14.795 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.199 10.945 -14.221 1.00 0.00 C ATOM 0 H VAL A 52 -1.139 11.554 -16.140 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.034 9.598 -17.020 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.027 11.531 -15.140 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.316 9.423 -13.745 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.916 9.216 -15.408 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.337 8.541 -14.941 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.589 10.962 -13.203 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.454 10.155 -14.311 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.738 11.906 -14.449 1.00 0.00 H new ATOM 725 N ASP A 53 -5.108 11.131 -17.627 1.00 0.00 N ATOM 726 CA ASP A 53 -6.151 11.829 -18.364 1.00 0.00 C ATOM 727 C ASP A 53 -7.036 12.611 -17.390 1.00 0.00 C ATOM 728 O ASP A 53 -6.778 12.633 -16.186 1.00 0.00 O ATOM 729 CB ASP A 53 -6.951 10.811 -19.191 1.00 0.00 C ATOM 730 CG ASP A 53 -7.677 9.796 -18.312 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.017 8.811 -17.913 1.00 0.00 O ATOM 732 OD2 ASP A 53 -8.879 10.020 -18.053 1.00 0.00 O ATOM 0 H ASP A 53 -5.444 10.278 -17.179 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.714 12.550 -19.055 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.677 11.339 -19.809 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.277 10.286 -19.868 1.00 0.00 H new ATOM 737 N GLY A 54 -8.077 13.258 -17.927 1.00 0.00 N ATOM 738 CA GLY A 54 -9.032 14.049 -17.171 1.00 0.00 C ATOM 739 C GLY A 54 -10.467 13.686 -17.563 1.00 0.00 C ATOM 740 O GLY A 54 -10.706 12.581 -18.050 1.00 0.00 O ATOM 0 H GLY A 54 -8.276 13.240 -18.927 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.888 13.880 -16.104 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.858 15.110 -17.352 1.00 0.00 H new ATOM 744 N PRO A 55 -11.435 14.594 -17.348 1.00 0.00 N ATOM 745 CA PRO A 55 -11.261 15.918 -16.768 1.00 0.00 C ATOM 746 C PRO A 55 -10.627 15.894 -15.378 1.00 0.00 C ATOM 747 O PRO A 55 -11.118 15.226 -14.472 1.00 0.00 O ATOM 748 CB PRO A 55 -12.657 16.538 -16.700 1.00 0.00 C ATOM 749 CG PRO A 55 -13.438 15.778 -17.770 1.00 0.00 C ATOM 750 CD PRO A 55 -12.827 14.380 -17.695 1.00 0.00 C ATOM 0 HA PRO A 55 -10.574 16.496 -17.386 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.103 16.414 -15.713 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.631 17.608 -16.906 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.507 15.765 -17.560 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.313 16.223 -18.757 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.331 13.769 -16.946 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.920 13.857 -18.647 1.00 0.00 H new ATOM 758 N TYR A 56 -9.533 16.644 -15.231 1.00 0.00 N ATOM 759 CA TYR A 56 -8.764 16.796 -14.007 1.00 0.00 C ATOM 760 C TYR A 56 -9.175 18.090 -13.312 1.00 0.00 C ATOM 761 O TYR A 56 -9.889 18.906 -13.892 1.00 0.00 O ATOM 762 CB TYR A 56 -7.262 16.715 -14.330 1.00 0.00 C ATOM 763 CG TYR A 56 -6.801 17.250 -15.673 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.934 18.616 -15.975 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.229 16.378 -16.619 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.516 19.105 -17.226 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.800 16.869 -17.863 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.949 18.232 -18.170 1.00 0.00 C ATOM 769 OH TYR A 56 -5.535 18.709 -19.381 1.00 0.00 O ATOM 0 H TYR A 56 -9.145 17.186 -16.003 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.972 15.986 -13.308 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.722 17.253 -13.551 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.960 15.670 -14.264 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.358 19.291 -15.246 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.120 15.329 -16.387 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.631 20.153 -17.461 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.355 16.199 -18.584 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.166 17.974 -19.914 1.00 0.00 H new ATOM 779 N GLN A 57 -8.721 18.267 -12.065 1.00 0.00 N ATOM 780 CA GLN A 57 -9.063 19.425 -11.253 1.00 0.00 C ATOM 781 C GLN A 57 -7.871 19.962 -10.465 1.00 0.00 C ATOM 782 O GLN A 57 -6.920 19.234 -10.175 1.00 0.00 O ATOM 783 CB GLN A 57 -10.241 19.082 -10.333 1.00 0.00 C ATOM 784 CG GLN A 57 -10.028 17.821 -9.486 1.00 0.00 C ATOM 785 CD GLN A 57 -10.353 16.515 -10.216 1.00 0.00 C ATOM 786 OE1 GLN A 57 -10.837 16.505 -11.346 1.00 0.00 O ATOM 787 NE2 GLN A 57 -10.096 15.389 -9.553 1.00 0.00 N ATOM 0 H GLN A 57 -8.104 17.604 -11.596 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.361 20.229 -11.925 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.427 19.926 -9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.137 18.952 -10.941 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.990 17.790 -9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.647 17.888 -8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.694 15.429 -8.616 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.301 14.487 -9.982 1.00 0.00 H new ATOM 796 N GLU A 58 -7.964 21.254 -10.116 1.00 0.00 N ATOM 797 CA GLU A 58 -6.926 21.985 -9.393 1.00 0.00 C ATOM 798 C GLU A 58 -7.060 21.916 -7.879 1.00 0.00 C ATOM 799 O GLU A 58 -8.126 21.602 -7.367 1.00 0.00 O ATOM 800 CB GLU A 58 -6.930 23.464 -9.842 1.00 0.00 C ATOM 801 CG GLU A 58 -7.415 24.491 -8.799 1.00 0.00 C ATOM 802 CD GLU A 58 -7.380 25.897 -9.391 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.367 26.252 -10.073 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.369 26.592 -9.150 1.00 0.00 O ATOM 0 H GLU A 58 -8.780 21.826 -10.335 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.982 21.500 -9.640 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.918 23.733 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.560 23.552 -10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.429 24.247 -8.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.783 24.446 -7.912 1.00 0.00 H new ATOM 811 N PHE A 59 -5.950 22.190 -7.180 1.00 0.00 N ATOM 812 CA PHE A 59 -5.886 22.262 -5.731 1.00 0.00 C ATOM 813 C PHE A 59 -4.616 23.042 -5.389 1.00 0.00 C ATOM 814 O PHE A 59 -3.537 22.456 -5.455 1.00 0.00 O ATOM 815 CB PHE A 59 -5.939 20.879 -5.073 1.00 0.00 C ATOM 816 CG PHE A 59 -6.454 20.832 -3.635 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.075 21.934 -3.017 1.00 0.00 C ATOM 818 CD2 PHE A 59 -6.309 19.650 -2.899 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.557 21.863 -1.702 1.00 0.00 C ATOM 820 CE2 PHE A 59 -6.798 19.571 -1.585 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.429 20.669 -0.983 1.00 0.00 C ATOM 0 H PHE A 59 -5.052 22.371 -7.628 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.760 22.776 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.570 20.234 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.936 20.453 -5.091 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.183 22.856 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.819 18.796 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.024 22.724 -1.247 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.686 18.651 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.812 20.594 0.024 1.00 0.00 H new ATOM 831 N PRO A 60 -4.667 24.335 -5.015 1.00 0.00 N ATOM 832 CA PRO A 60 -3.482 25.082 -4.755 1.00 0.00 C ATOM 833 C PRO A 60 -2.700 24.608 -3.521 1.00 0.00 C ATOM 834 O PRO A 60 -3.259 24.594 -2.425 1.00 0.00 O ATOM 835 CB PRO A 60 -3.874 26.551 -4.728 1.00 0.00 C ATOM 836 CG PRO A 60 -5.269 26.479 -4.137 1.00 0.00 C ATOM 837 CD PRO A 60 -5.780 25.212 -4.818 1.00 0.00 C ATOM 0 HA PRO A 60 -2.758 24.916 -5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.198 27.145 -4.113 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.872 26.995 -5.724 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.257 26.392 -3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.871 27.355 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.541 24.730 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.247 25.455 -5.772 1.00 0.00 H new ATOM 845 N ILE A 61 -1.424 24.220 -3.682 1.00 0.00 N ATOM 846 CA ILE A 61 -0.560 23.761 -2.604 1.00 0.00 C ATOM 847 C ILE A 61 0.095 24.903 -1.878 1.00 0.00 C ATOM 848 O ILE A 61 0.107 26.068 -2.275 1.00 0.00 O ATOM 849 CB ILE A 61 0.464 22.698 -3.059 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.506 21.971 -2.158 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.171 23.116 -4.345 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.961 20.752 -1.404 1.00 0.00 C ATOM 0 H ILE A 61 -0.962 24.220 -4.591 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.214 23.261 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.285 21.907 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.344 21.653 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.899 22.684 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.884 22.344 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.435 23.247 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.699 24.055 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.756 20.310 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.144 21.062 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.595 20.015 -2.119 1.00 0.00 H new ATOM 864 N LYS A 62 0.629 24.438 -0.768 1.00 0.00 N ATOM 865 CA LYS A 62 1.338 25.224 0.232 1.00 0.00 C ATOM 866 C LYS A 62 2.225 24.352 1.117 1.00 0.00 C ATOM 867 O LYS A 62 1.940 23.176 1.343 1.00 0.00 O ATOM 868 CB LYS A 62 0.398 26.127 1.042 1.00 0.00 C ATOM 869 CG LYS A 62 -0.846 25.426 1.607 1.00 0.00 C ATOM 870 CD LYS A 62 -2.105 25.616 0.746 1.00 0.00 C ATOM 871 CE LYS A 62 -2.670 27.039 0.826 1.00 0.00 C ATOM 872 NZ LYS A 62 -3.883 27.180 0.003 1.00 0.00 N ATOM 0 H LYS A 62 0.580 23.449 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 62 2.004 25.896 -0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.959 26.562 1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.075 26.952 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.640 24.360 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.042 25.805 2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.869 25.382 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.869 24.908 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.901 27.283 1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.916 27.751 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.966 28.162 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.823 26.542 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.719 26.935 0.572 1.00 0.00 H new ATOM 886 N SER A 63 3.305 24.967 1.620 1.00 0.00 N ATOM 887 CA SER A 63 4.317 24.359 2.466 1.00 0.00 C ATOM 888 C SER A 63 3.900 24.424 3.938 1.00 0.00 C ATOM 889 O SER A 63 4.617 24.983 4.767 1.00 0.00 O ATOM 890 CB SER A 63 5.661 25.055 2.202 1.00 0.00 C ATOM 891 OG SER A 63 5.564 26.448 2.424 1.00 0.00 O ATOM 0 H SER A 63 3.497 25.951 1.433 1.00 0.00 H new ATOM 0 HA SER A 63 4.426 23.301 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.427 24.632 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.976 24.868 1.175 1.00 0.00 H new ATOM 0 HG SER A 63 5.351 26.615 3.366 1.00 0.00 H new ATOM 897 N GLY A 64 2.731 23.858 4.261 1.00 0.00 N ATOM 898 CA GLY A 64 2.214 23.823 5.620 1.00 0.00 C ATOM 899 C GLY A 64 1.099 22.788 5.747 1.00 0.00 C ATOM 900 O GLY A 64 1.300 21.730 6.340 1.00 0.00 O ATOM 0 H GLY A 64 2.119 23.411 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.019 23.584 6.315 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.836 24.807 5.896 1.00 0.00 H new ATOM 904 N GLY A 65 -0.078 23.105 5.191 1.00 0.00 N ATOM 905 CA GLY A 65 -1.252 22.248 5.216 1.00 0.00 C ATOM 906 C GLY A 65 -2.173 22.634 4.063 1.00 0.00 C ATOM 907 O GLY A 65 -2.375 23.821 3.815 1.00 0.00 O ATOM 0 H GLY A 65 -0.235 23.986 4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.957 21.202 5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.775 22.353 6.167 1.00 0.00 H new ATOM 911 N VAL A 66 -2.739 21.637 3.367 1.00 0.00 N ATOM 912 CA VAL A 66 -3.611 21.872 2.225 1.00 0.00 C ATOM 913 C VAL A 66 -4.862 22.667 2.629 1.00 0.00 C ATOM 914 O VAL A 66 -5.519 22.343 3.616 1.00 0.00 O ATOM 915 CB VAL A 66 -3.900 20.553 1.487 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.012 19.722 2.136 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.228 20.845 0.020 1.00 0.00 C ATOM 0 H VAL A 66 -2.601 20.650 3.586 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.099 22.509 1.504 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.997 19.946 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.163 18.806 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.728 19.469 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.937 20.299 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.432 19.909 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.105 21.490 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.381 21.344 -0.450 1.00 0.00 H new ATOM 927 N TYR A 67 -5.157 23.716 1.848 1.00 0.00 N ATOM 928 CA TYR A 67 -6.250 24.673 1.980 1.00 0.00 C ATOM 929 C TYR A 67 -6.159 25.529 3.250 1.00 0.00 C ATOM 930 O TYR A 67 -5.947 25.017 4.348 1.00 0.00 O ATOM 931 CB TYR A 67 -7.637 24.059 1.713 1.00 0.00 C ATOM 932 CG TYR A 67 -8.383 23.436 2.879 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.992 24.256 3.849 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.487 22.037 2.990 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.693 23.680 4.923 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.189 21.461 4.062 1.00 0.00 C ATOM 937 CZ TYR A 67 -9.799 22.282 5.026 1.00 0.00 C ATOM 938 OH TYR A 67 -10.486 21.722 6.063 1.00 0.00 O ATOM 0 H TYR A 67 -4.580 23.930 1.035 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.118 25.388 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.271 24.839 1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.520 23.294 0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.920 25.331 3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.025 21.403 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.151 24.312 5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.260 20.387 4.145 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.462 20.746 5.982 1.00 0.00 H new ATOM 948 N THR A 68 -6.312 26.849 3.077 1.00 0.00 N ATOM 949 CA THR A 68 -6.286 27.859 4.130 1.00 0.00 C ATOM 950 C THR A 68 -7.425 28.849 3.879 1.00 0.00 C ATOM 951 O THR A 68 -8.202 29.143 4.787 1.00 0.00 O ATOM 952 CB THR A 68 -4.926 28.576 4.178 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.577 29.074 2.901 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.817 27.655 4.698 1.00 0.00 C ATOM 0 H THR A 68 -6.464 27.255 2.154 1.00 0.00 H new ATOM 0 HA THR A 68 -6.424 27.381 5.100 1.00 0.00 H new ATOM 0 HB THR A 68 -5.027 29.410 4.872 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.710 29.528 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.872 28.198 4.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.064 27.321 5.706 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.725 26.790 4.042 1.00 0.00 H new ATOM 962 N GLY A 69 -7.512 29.363 2.644 1.00 0.00 N ATOM 963 CA GLY A 69 -8.536 30.301 2.216 1.00 0.00 C ATOM 964 C GLY A 69 -8.119 31.742 2.493 1.00 0.00 C ATOM 965 O GLY A 69 -8.789 32.438 3.254 1.00 0.00 O ATOM 0 H GLY A 69 -6.852 29.126 1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.726 30.174 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.470 30.084 2.734 1.00 0.00 H new ATOM 969 N GLY A 70 -7.018 32.188 1.874 1.00 0.00 N ATOM 970 CA GLY A 70 -6.527 33.548 2.041 1.00 0.00 C ATOM 971 C GLY A 70 -5.124 33.757 1.468 1.00 0.00 C ATOM 972 O GLY A 70 -4.358 34.540 2.025 1.00 0.00 O ATOM 0 H GLY A 70 -6.451 31.615 1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.217 34.239 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.520 33.797 3.102 1.00 0.00 H new ATOM 976 N SER A 71 -4.790 33.072 0.365 1.00 0.00 N ATOM 977 CA SER A 71 -3.495 33.182 -0.298 1.00 0.00 C ATOM 978 C SER A 71 -3.531 32.454 -1.651 1.00 0.00 C ATOM 979 O SER A 71 -4.109 31.370 -1.730 1.00 0.00 O ATOM 980 CB SER A 71 -2.387 32.587 0.586 1.00 0.00 C ATOM 981 OG SER A 71 -2.675 31.249 0.934 1.00 0.00 O ATOM 0 H SER A 71 -5.425 32.418 -0.093 1.00 0.00 H new ATOM 0 HA SER A 71 -3.281 34.237 -0.466 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.434 32.631 0.059 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.279 33.186 1.490 1.00 0.00 H new ATOM 0 HG SER A 71 -1.954 30.894 1.495 1.00 0.00 H new ATOM 987 N PRO A 72 -2.918 33.011 -2.714 1.00 0.00 N ATOM 988 CA PRO A 72 -2.723 32.306 -3.971 1.00 0.00 C ATOM 989 C PRO A 72 -1.688 31.200 -3.752 1.00 0.00 C ATOM 990 O PRO A 72 -2.053 30.025 -3.736 1.00 0.00 O ATOM 991 CB PRO A 72 -2.293 33.365 -4.991 1.00 0.00 C ATOM 992 CG PRO A 72 -1.690 34.491 -4.149 1.00 0.00 C ATOM 993 CD PRO A 72 -2.359 34.352 -2.777 1.00 0.00 C ATOM 0 HA PRO A 72 -3.620 31.812 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.565 32.964 -5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.142 33.719 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.607 34.392 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.891 35.467 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.635 34.507 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.140 35.102 -2.650 1.00 0.00 H new ATOM 1001 N GLY A 73 -0.406 31.564 -3.598 1.00 0.00 N ATOM 1002 CA GLY A 73 0.677 30.629 -3.347 1.00 0.00 C ATOM 1003 C GLY A 73 1.534 30.370 -4.580 1.00 0.00 C ATOM 1004 O GLY A 73 2.695 30.000 -4.418 1.00 0.00 O ATOM 0 H GLY A 73 -0.098 32.535 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.308 31.017 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.261 29.685 -2.995 1.00 0.00 H new ATOM 1008 N ALA A 74 0.970 30.551 -5.789 1.00 0.00 N ATOM 1009 CA ALA A 74 1.611 30.334 -7.084 1.00 0.00 C ATOM 1010 C ALA A 74 1.708 28.849 -7.405 1.00 0.00 C ATOM 1011 O ALA A 74 1.425 28.463 -8.535 1.00 0.00 O ATOM 1012 CB ALA A 74 2.989 31.000 -7.199 1.00 0.00 C ATOM 0 H ALA A 74 0.006 30.869 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 74 0.969 30.816 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.409 30.800 -8.185 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.886 32.076 -7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.652 30.598 -6.433 1.00 0.00 H new ATOM 1018 N ASP A 75 2.094 28.025 -6.423 1.00 0.00 N ATOM 1019 CA ASP A 75 2.257 26.597 -6.586 1.00 0.00 C ATOM 1020 C ASP A 75 0.924 25.880 -6.399 1.00 0.00 C ATOM 1021 O ASP A 75 0.294 26.005 -5.350 1.00 0.00 O ATOM 1022 CB ASP A 75 3.383 26.069 -5.679 1.00 0.00 C ATOM 1023 CG ASP A 75 4.494 27.084 -5.360 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.908 27.826 -6.277 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.914 27.110 -4.183 1.00 0.00 O ATOM 0 H ASP A 75 2.303 28.350 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 75 2.573 26.382 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.944 25.728 -4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.834 25.198 -6.155 1.00 0.00 H new ATOM 1030 N ARG A 76 0.503 25.139 -7.434 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.748 24.404 -7.447 1.00 0.00 C ATOM 1032 C ARG A 76 -0.578 22.953 -7.875 1.00 0.00 C ATOM 1033 O ARG A 76 -0.084 22.700 -8.974 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.747 25.098 -8.389 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.274 26.414 -7.804 1.00 0.00 C ATOM 1036 CD ARG A 76 -1.831 27.647 -8.587 1.00 0.00 C ATOM 1037 NE ARG A 76 -1.968 28.867 -7.782 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.101 29.581 -7.647 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.224 29.244 -8.300 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.111 30.650 -6.840 1.00 0.00 N ATOM 0 H ARG A 76 1.039 25.039 -8.296 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.123 24.399 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.265 25.295 -9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.584 24.428 -8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.363 26.381 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.934 26.506 -6.773 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.793 27.529 -8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.428 27.738 -9.494 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.141 29.199 -7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.232 28.431 -8.915 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.070 29.801 -8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.265 30.916 -6.335 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.964 31.198 -6.730 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.973 22.003 -7.007 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.924 20.590 -7.354 1.00 0.00 C ATOM 1056 C VAL A 77 -2.244 20.379 -8.086 1.00 0.00 C ATOM 1057 O VAL A 77 -3.258 20.989 -7.745 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.768 19.601 -6.187 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.600 19.679 -5.505 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.870 19.700 -5.129 1.00 0.00 C ATOM 0 H VAL A 77 -1.325 22.197 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.027 20.378 -7.935 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.861 18.629 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.643 18.955 -4.691 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.382 19.455 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.751 20.682 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.685 18.969 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.874 20.702 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.837 19.499 -5.591 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.240 19.511 -9.090 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.413 19.257 -9.905 1.00 0.00 C ATOM 1072 C VAL A 78 -3.587 17.739 -9.997 1.00 0.00 C ATOM 1073 O VAL A 78 -2.727 17.048 -10.543 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.201 20.062 -11.208 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.275 19.814 -12.272 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.136 21.574 -10.857 1.00 0.00 C ATOM 0 H VAL A 78 -1.422 18.965 -9.359 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.371 19.598 -9.512 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.264 19.720 -11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.057 20.414 -13.156 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.282 18.758 -12.543 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.251 20.093 -11.876 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.987 22.153 -11.768 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.069 21.878 -10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.306 21.753 -10.173 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.705 17.233 -9.443 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.043 15.810 -9.385 1.00 0.00 C ATOM 1088 C ILE A 79 -5.918 15.415 -10.573 1.00 0.00 C ATOM 1089 O ILE A 79 -6.212 16.260 -11.417 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.705 15.442 -8.032 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.175 15.877 -7.872 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.905 16.003 -6.854 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.972 14.928 -6.957 1.00 0.00 C ATOM 0 H ILE A 79 -5.415 17.826 -9.013 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.118 15.237 -9.451 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.700 14.352 -8.033 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.210 16.887 -7.462 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.649 15.915 -8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.394 15.729 -5.919 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.896 15.591 -6.871 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.855 17.089 -6.932 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.001 15.279 -6.877 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.963 13.923 -7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.517 14.910 -5.967 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.342 14.142 -10.629 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.196 13.636 -11.696 1.00 0.00 C ATOM 1107 C ASN A 80 -8.453 13.051 -11.069 1.00 0.00 C ATOM 1108 O ASN A 80 -8.498 12.838 -9.857 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.467 12.677 -12.646 1.00 0.00 C ATOM 1110 CG ASN A 80 -6.266 11.280 -12.072 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -7.112 10.407 -12.250 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -5.137 11.067 -11.398 1.00 0.00 N ATOM 0 H ASN A 80 -6.097 13.440 -9.931 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.488 14.459 -12.348 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.032 12.600 -13.575 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.495 13.100 -12.899 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.945 10.146 -11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.465 11.824 -11.277 1.00 0.00 H new ATOM 1119 N THR A 81 -9.465 12.787 -11.901 1.00 0.00 N ATOM 1120 CA THR A 81 -10.748 12.269 -11.457 1.00 0.00 C ATOM 1121 C THR A 81 -10.819 10.795 -11.083 1.00 0.00 C ATOM 1122 O THR A 81 -11.530 9.995 -11.688 1.00 0.00 O ATOM 1123 CB THR A 81 -11.890 12.796 -12.328 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.141 12.446 -11.772 1.00 0.00 O ATOM 1125 CG2 THR A 81 -11.789 12.288 -13.762 1.00 0.00 C ATOM 0 H THR A 81 -9.409 12.931 -12.909 1.00 0.00 H new ATOM 0 HA THR A 81 -10.890 12.692 -10.462 1.00 0.00 H new ATOM 0 HB THR A 81 -11.805 13.882 -12.354 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.860 12.792 -12.341 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.618 12.685 -14.348 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.846 12.617 -14.199 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.831 11.199 -13.766 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.051 10.465 -10.049 1.00 0.00 N ATOM 1134 CA ASN A 82 -9.978 9.173 -9.435 1.00 0.00 C ATOM 1135 C ASN A 82 -9.648 9.590 -8.007 1.00 0.00 C ATOM 1136 O ASN A 82 -10.544 9.877 -7.214 1.00 0.00 O ATOM 1137 CB ASN A 82 -8.940 8.292 -10.153 1.00 0.00 C ATOM 1138 CG ASN A 82 -8.657 6.970 -9.439 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -9.275 6.646 -8.426 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -7.707 6.200 -9.980 1.00 0.00 N ATOM 0 H ASN A 82 -9.433 11.142 -9.602 1.00 0.00 H new ATOM 0 HA ASN A 82 -10.863 8.538 -9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.292 8.081 -11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.008 8.849 -10.250 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.470 5.305 -9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.219 6.507 -10.821 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.355 9.605 -7.699 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.816 9.988 -6.406 1.00 0.00 C ATOM 1149 C CYS A 83 -6.314 10.287 -6.426 1.00 0.00 C ATOM 1150 O CYS A 83 -5.743 10.468 -5.351 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.146 8.888 -5.377 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.251 9.373 -3.632 1.00 0.00 S ATOM 0 H CYS A 83 -7.632 9.341 -8.368 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.291 10.927 -6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.099 8.440 -5.659 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.389 8.109 -5.464 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.672 10.356 -7.603 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.223 10.538 -7.680 1.00 0.00 C ATOM 1159 C GLU A 84 -3.755 11.867 -8.259 1.00 0.00 C ATOM 1160 O GLU A 84 -4.456 12.533 -9.015 1.00 0.00 O ATOM 1161 CB GLU A 84 -3.613 9.373 -8.477 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.813 8.015 -7.783 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.320 6.862 -8.658 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.105 6.572 -8.592 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -4.166 6.293 -9.382 1.00 0.00 O ATOM 0 H GLU A 84 -6.136 10.288 -8.509 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.873 10.550 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.064 9.340 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.547 9.552 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.277 8.008 -6.834 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.869 7.874 -7.554 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.523 12.204 -7.870 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.761 13.379 -8.245 1.00 0.00 C ATOM 1174 C TYR A 85 -1.254 13.191 -9.675 1.00 0.00 C ATOM 1175 O TYR A 85 -0.461 12.286 -9.935 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.606 13.497 -7.236 1.00 0.00 C ATOM 1177 CG TYR A 85 0.563 14.354 -7.658 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.413 15.744 -7.770 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.807 13.754 -7.926 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.508 16.536 -8.146 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.899 14.544 -8.318 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.749 15.938 -8.434 1.00 0.00 C ATOM 1183 OH TYR A 85 3.809 16.711 -8.811 1.00 0.00 O ATOM 0 H TYR A 85 -1.997 11.607 -7.232 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.355 14.293 -8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.005 13.897 -6.304 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.236 12.495 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.543 16.203 -7.567 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.922 12.684 -7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.398 17.608 -8.215 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.852 14.083 -8.530 1.00 0.00 H new ATOM 0 HH TYR A 85 4.589 16.140 -8.971 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.708 14.050 -10.594 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.320 13.992 -11.994 1.00 0.00 C ATOM 1195 C ALA A 86 0.029 14.688 -12.170 1.00 0.00 C ATOM 1196 O ALA A 86 0.943 14.130 -12.773 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.409 14.623 -12.864 1.00 0.00 C ATOM 0 H ALA A 86 -2.358 14.806 -10.379 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.211 12.955 -12.313 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.111 14.576 -13.911 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.344 14.079 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.549 15.664 -12.573 1.00 0.00 H new ATOM 1203 N GLY A 87 0.146 15.906 -11.629 1.00 0.00 N ATOM 1204 CA GLY A 87 1.359 16.705 -11.683 1.00 0.00 C ATOM 1205 C GLY A 87 1.135 18.061 -11.015 1.00 0.00 C ATOM 1206 O GLY A 87 0.009 18.389 -10.643 1.00 0.00 O ATOM 0 H GLY A 87 -0.618 16.366 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.172 16.177 -11.185 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.661 16.849 -12.720 1.00 0.00 H new ATOM 1210 N ALA A 88 2.217 18.838 -10.860 1.00 0.00 N ATOM 1211 CA ALA A 88 2.197 20.153 -10.231 1.00 0.00 C ATOM 1212 C ALA A 88 2.757 21.218 -11.168 1.00 0.00 C ATOM 1213 O ALA A 88 3.611 20.940 -12.010 1.00 0.00 O ATOM 1214 CB ALA A 88 2.976 20.116 -8.914 1.00 0.00 C ATOM 0 H ALA A 88 3.145 18.558 -11.177 1.00 0.00 H new ATOM 0 HA ALA A 88 1.162 20.418 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.956 21.103 -8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.519 19.390 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.009 19.829 -9.110 1.00 0.00 H new ATOM 1220 N ILE A 89 2.258 22.446 -10.993 1.00 0.00 N ATOM 1221 CA ILE A 89 2.609 23.634 -11.760 1.00 0.00 C ATOM 1222 C ILE A 89 2.898 24.773 -10.772 1.00 0.00 C ATOM 1223 O ILE A 89 2.492 24.674 -9.613 1.00 0.00 O ATOM 1224 CB ILE A 89 1.495 23.911 -12.786 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.105 23.986 -12.127 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.507 22.812 -13.859 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.976 24.406 -13.126 1.00 0.00 C ATOM 0 H ILE A 89 1.562 22.643 -10.273 1.00 0.00 H new ATOM 0 HA ILE A 89 3.517 23.509 -12.349 1.00 0.00 H new ATOM 0 HB ILE A 89 1.691 24.882 -13.240 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.149 23.014 -11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.132 24.697 -11.301 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.719 23.006 -14.587 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.473 22.806 -14.363 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.337 21.843 -13.389 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.941 24.447 -12.622 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.736 25.389 -13.530 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.022 23.681 -13.939 1.00 0.00 H new ATOM 1239 N THR A 90 3.596 25.851 -11.186 1.00 0.00 N ATOM 1240 CA THR A 90 3.935 26.931 -10.262 1.00 0.00 C ATOM 1241 C THR A 90 4.216 28.313 -10.888 1.00 0.00 C ATOM 1242 O THR A 90 4.853 28.372 -11.935 1.00 0.00 O ATOM 1243 CB THR A 90 5.148 26.371 -9.477 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.728 25.948 -8.226 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.343 27.289 -9.289 1.00 0.00 C ATOM 0 H THR A 90 3.927 25.988 -12.141 1.00 0.00 H new ATOM 0 HA THR A 90 3.074 27.172 -9.638 1.00 0.00 H new ATOM 0 HB THR A 90 5.513 25.564 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.675 24.970 -8.212 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.116 26.769 -8.724 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.738 27.577 -10.263 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.034 28.181 -8.745 1.00 0.00 H new ATOM 1253 N HIS A 91 3.735 29.423 -10.272 1.00 0.00 N ATOM 1254 CA HIS A 91 4.003 30.802 -10.746 1.00 0.00 C ATOM 1255 C HIS A 91 5.323 31.395 -10.204 1.00 0.00 C ATOM 1256 O HIS A 91 5.515 32.608 -10.277 1.00 0.00 O ATOM 1257 CB HIS A 91 2.908 31.881 -10.513 1.00 0.00 C ATOM 1258 CG HIS A 91 1.461 31.561 -10.738 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.487 32.544 -10.696 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.791 30.405 -11.010 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.693 31.950 -10.933 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.577 30.637 -11.121 1.00 0.00 N ATOM 0 H HIS A 91 3.152 29.386 -9.436 1.00 0.00 H new ATOM 0 HA HIS A 91 4.043 30.609 -11.818 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.005 32.220 -9.482 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.152 32.730 -11.152 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.259 29.438 -11.124 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.634 32.479 -10.967 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.317 29.960 -11.304 1.00 0.00 H new ATOM 1270 N THR A 92 6.245 30.588 -9.663 1.00 0.00 N ATOM 1271 CA THR A 92 7.507 31.074 -9.105 1.00 0.00 C ATOM 1272 C THR A 92 8.433 31.581 -10.207 1.00 0.00 C ATOM 1273 O THR A 92 8.930 32.703 -10.137 1.00 0.00 O ATOM 1274 CB THR A 92 8.172 29.997 -8.233 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.312 29.671 -7.159 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.503 30.479 -7.644 1.00 0.00 C ATOM 0 H THR A 92 6.133 29.576 -9.601 1.00 0.00 H new ATOM 0 HA THR A 92 7.293 31.923 -8.455 1.00 0.00 H new ATOM 0 HB THR A 92 8.362 29.132 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.732 28.983 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.939 29.687 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.188 30.733 -8.453 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.329 31.359 -7.025 1.00 0.00 H new ATOM 1284 N GLY A 93 8.643 30.743 -11.223 1.00 0.00 N ATOM 1285 CA GLY A 93 9.479 31.038 -12.377 1.00 0.00 C ATOM 1286 C GLY A 93 8.721 31.807 -13.466 1.00 0.00 C ATOM 1287 O GLY A 93 9.245 31.973 -14.566 1.00 0.00 O ATOM 0 H GLY A 93 8.222 29.815 -11.262 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.342 31.622 -12.057 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.861 30.106 -12.793 1.00 0.00 H new ATOM 1291 N ALA A 94 7.500 32.275 -13.166 1.00 0.00 N ATOM 1292 CA ALA A 94 6.645 33.022 -14.077 1.00 0.00 C ATOM 1293 C ALA A 94 6.881 34.525 -13.944 1.00 0.00 C ATOM 1294 O ALA A 94 7.383 34.996 -12.925 1.00 0.00 O ATOM 1295 CB ALA A 94 5.184 32.718 -13.741 1.00 0.00 C ATOM 0 H ALA A 94 7.074 32.135 -12.250 1.00 0.00 H new ATOM 0 HA ALA A 94 6.879 32.724 -15.099 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.532 33.272 -14.417 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.999 31.650 -13.853 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.978 33.016 -12.713 1.00 0.00 H new ATOM 1301 N SER A 95 6.508 35.268 -14.993 1.00 0.00 N ATOM 1302 CA SER A 95 6.616 36.717 -15.079 1.00 0.00 C ATOM 1303 C SER A 95 5.223 37.317 -14.896 1.00 0.00 C ATOM 1304 O SER A 95 4.631 37.856 -15.830 1.00 0.00 O ATOM 1305 CB SER A 95 7.257 37.099 -16.417 1.00 0.00 C ATOM 1306 OG SER A 95 7.461 38.493 -16.498 1.00 0.00 O ATOM 0 H SER A 95 6.108 34.853 -15.835 1.00 0.00 H new ATOM 0 HA SER A 95 7.258 37.117 -14.294 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.209 36.581 -16.530 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.618 36.773 -17.237 1.00 0.00 H new ATOM 0 HG SER A 95 7.872 38.714 -17.360 1.00 0.00 H new ATOM 1312 N GLY A 96 4.718 37.198 -13.665 1.00 0.00 N ATOM 1313 CA GLY A 96 3.420 37.690 -13.235 1.00 0.00 C ATOM 1314 C GLY A 96 2.535 36.512 -12.831 1.00 0.00 C ATOM 1315 O GLY A 96 2.845 35.813 -11.868 1.00 0.00 O ATOM 0 H GLY A 96 5.230 36.735 -12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.539 38.374 -12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.948 38.253 -14.040 1.00 0.00 H new ATOM 1319 N ASN A 97 1.443 36.295 -13.575 1.00 0.00 N ATOM 1320 CA ASN A 97 0.474 35.232 -13.332 1.00 0.00 C ATOM 1321 C ASN A 97 0.658 34.062 -14.304 1.00 0.00 C ATOM 1322 O ASN A 97 -0.281 33.293 -14.509 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.946 35.810 -13.437 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.154 36.991 -12.492 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.515 36.804 -11.333 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -0.931 38.210 -12.991 1.00 0.00 N ATOM 0 H ASN A 97 1.208 36.872 -14.383 1.00 0.00 H new ATOM 0 HA ASN A 97 0.635 34.838 -12.329 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.133 36.129 -14.462 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.673 35.030 -13.208 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -1.060 39.033 -12.403 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.632 38.317 -13.960 1.00 0.00 H new ATOM 1333 N ASN A 98 1.851 33.907 -14.899 1.00 0.00 N ATOM 1334 CA ASN A 98 2.131 32.819 -15.831 1.00 0.00 C ATOM 1335 C ASN A 98 2.347 31.523 -15.048 1.00 0.00 C ATOM 1336 O ASN A 98 2.001 31.428 -13.870 1.00 0.00 O ATOM 1337 CB ASN A 98 3.302 33.131 -16.794 1.00 0.00 C ATOM 1338 CG ASN A 98 3.555 34.609 -17.097 1.00 0.00 C ATOM 1339 OD1 ASN A 98 4.709 35.019 -17.189 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.507 35.418 -17.266 1.00 0.00 N ATOM 0 H ASN A 98 2.641 34.533 -14.744 1.00 0.00 H new ATOM 0 HA ASN A 98 1.264 32.697 -16.480 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.214 32.707 -16.373 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.117 32.615 -17.736 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.654 36.405 -17.478 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.560 35.049 -17.184 1.00 0.00 H new ATOM 1347 N PHE A 99 2.916 30.517 -15.715 1.00 0.00 N ATOM 1348 CA PHE A 99 3.172 29.218 -15.114 1.00 0.00 C ATOM 1349 C PHE A 99 4.436 28.548 -15.658 1.00 0.00 C ATOM 1350 O PHE A 99 4.874 28.828 -16.774 1.00 0.00 O ATOM 1351 CB PHE A 99 1.974 28.308 -15.438 1.00 0.00 C ATOM 1352 CG PHE A 99 1.036 28.111 -14.277 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.544 27.479 -13.134 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.305 28.536 -14.316 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.720 27.261 -12.025 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.135 28.311 -13.204 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.614 27.677 -12.063 1.00 0.00 C ATOM 0 H PHE A 99 3.211 30.586 -16.689 1.00 0.00 H new ATOM 0 HA PHE A 99 3.313 29.366 -14.043 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.420 28.735 -16.274 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.344 27.336 -15.764 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.575 27.159 -13.109 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.694 29.031 -15.194 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.112 26.774 -11.144 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.168 28.624 -13.226 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.251 27.510 -11.207 1.00 0.00 H new ATOM 1367 N VAL A 100 5.005 27.658 -14.832 1.00 0.00 N ATOM 1368 CA VAL A 100 6.172 26.832 -15.108 1.00 0.00 C ATOM 1369 C VAL A 100 5.894 25.461 -14.489 1.00 0.00 C ATOM 1370 O VAL A 100 4.985 25.314 -13.673 1.00 0.00 O ATOM 1371 CB VAL A 100 7.513 27.427 -14.642 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.929 28.605 -15.526 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.534 27.835 -13.171 1.00 0.00 C ATOM 0 H VAL A 100 4.633 27.491 -13.897 1.00 0.00 H new ATOM 0 HA VAL A 100 6.307 26.763 -16.187 1.00 0.00 H new ATOM 0 HB VAL A 100 8.239 26.621 -14.745 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.880 29.006 -15.174 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.037 28.266 -16.556 1.00 0.00 H new ATOM 0 HG13 VAL A 100 7.167 29.383 -15.478 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.513 28.245 -12.921 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.768 28.590 -12.992 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.336 26.962 -12.549 1.00 0.00 H new ATOM 1383 N GLY A 101 6.683 24.458 -14.878 1.00 0.00 N ATOM 1384 CA GLY A 101 6.513 23.093 -14.402 1.00 0.00 C ATOM 1385 C GLY A 101 7.304 22.787 -13.131 1.00 0.00 C ATOM 1386 O GLY A 101 8.428 23.256 -12.964 1.00 0.00 O ATOM 0 H GLY A 101 7.457 24.574 -15.532 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.455 22.911 -14.214 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.821 22.402 -15.187 1.00 0.00 H new ATOM 1390 N CYS A 102 6.692 21.998 -12.237 1.00 0.00 N ATOM 1391 CA CYS A 102 7.276 21.543 -10.979 1.00 0.00 C ATOM 1392 C CYS A 102 8.134 20.316 -11.319 1.00 0.00 C ATOM 1393 O CYS A 102 8.290 19.975 -12.494 1.00 0.00 O ATOM 1394 CB CYS A 102 6.132 21.188 -10.017 1.00 0.00 C ATOM 1395 SG CYS A 102 6.408 21.277 -8.218 1.00 0.00 S ATOM 0 H CYS A 102 5.744 21.650 -12.380 1.00 0.00 H new ATOM 0 HA CYS A 102 7.894 22.301 -10.497 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.294 21.844 -10.251 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.815 20.171 -10.248 1.00 0.00 H new ATOM 1400 N SER A 103 8.705 19.634 -10.320 1.00 0.00 N ATOM 1401 CA SER A 103 9.511 18.449 -10.603 1.00 0.00 C ATOM 1402 C SER A 103 8.596 17.333 -11.109 1.00 0.00 C ATOM 1403 O SER A 103 7.592 17.011 -10.473 1.00 0.00 O ATOM 1404 CB SER A 103 10.297 17.987 -9.379 1.00 0.00 C ATOM 1405 OG SER A 103 11.156 19.009 -8.927 1.00 0.00 O ATOM 0 H SER A 103 8.626 19.877 -9.332 1.00 0.00 H new ATOM 0 HA SER A 103 10.243 18.704 -11.369 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.608 17.705 -8.583 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.878 17.099 -9.627 1.00 0.00 H new ATOM 0 HG SER A 103 10.641 19.830 -8.785 1.00 0.00 H new ATOM 1411 N GLY A 104 8.949 16.757 -12.264 1.00 0.00 N ATOM 1412 CA GLY A 104 8.193 15.694 -12.904 1.00 0.00 C ATOM 1413 C GLY A 104 6.988 16.264 -13.651 1.00 0.00 C ATOM 1414 O GLY A 104 5.899 15.696 -13.586 1.00 0.00 O ATOM 0 H GLY A 104 9.784 17.027 -12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.835 15.152 -13.598 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.857 14.977 -12.154 1.00 0.00 H new ATOM 1418 N THR A 105 7.192 17.388 -14.352 1.00 0.00 N ATOM 1419 CA THR A 105 6.177 18.071 -15.141 1.00 0.00 C ATOM 1420 C THR A 105 6.873 18.773 -16.307 1.00 0.00 C ATOM 1421 O THR A 105 7.786 19.569 -16.092 1.00 0.00 O ATOM 1422 CB THR A 105 5.402 19.089 -14.286 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.788 18.467 -13.176 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.324 19.777 -15.128 1.00 0.00 C ATOM 0 H THR A 105 8.098 17.855 -14.381 1.00 0.00 H new ATOM 0 HA THR A 105 5.454 17.345 -15.514 1.00 0.00 H new ATOM 0 HB THR A 105 6.119 19.826 -13.925 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.339 19.144 -12.628 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.783 20.495 -14.511 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.792 20.297 -15.964 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.628 19.030 -15.510 1.00 0.00 H new ATOM 1432 N ASN A 106 6.431 18.480 -17.537 1.00 0.00 N ATOM 1433 CA ASN A 106 6.971 19.072 -18.751 1.00 0.00 C ATOM 1434 C ASN A 106 6.340 20.449 -18.962 1.00 0.00 C ATOM 1435 O ASN A 106 7.108 21.437 -18.935 1.00 0.00 O ATOM 1436 CB ASN A 106 6.712 18.131 -19.936 1.00 0.00 C ATOM 1437 CG ASN A 106 7.373 18.633 -21.218 1.00 0.00 C ATOM 1438 OD1 ASN A 106 8.482 18.219 -21.550 1.00 0.00 O ATOM 1439 ND2 ASN A 106 6.693 19.522 -21.947 1.00 0.00 N ATOM 1440 OXT ASN A 106 5.093 20.502 -19.053 1.00 0.00 O ATOM 0 H ASN A 106 5.677 17.815 -17.711 1.00 0.00 H new ATOM 0 HA ASN A 106 8.049 19.207 -18.666 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.089 17.136 -19.699 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.638 18.035 -20.095 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.092 19.882 -22.814 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.775 19.841 -21.637 1.00 0.00 H new