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 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 THR OG1 : rot -40:sc= 0.637 USER MOD Set 2.1: A 11 TYR OH : rot 151:sc= 0.639 USER MOD Set 2.2: A 63 SER OG : rot -58:sc= 1.09 USER MOD Set 3.1: A 5 THR OG1 : rot 51:sc= 0.611 USER MOD Set 3.2: A 10 ASN : amide:sc= 0.376 K(o=0.99,f=-1.4) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.464 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 12 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 21 ASN : amide:sc= -0.275 K(o=-0.28,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.064) USER MOD Single : A 26 TYR OH : rot 138:sc= 1.64 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 29 ASN : amide:sc= 0.179 X(o=0.18,f=0) USER MOD Single : A 32 THR OG1 : rot 109:sc= 1.41 USER MOD Single : A 35 SER OG : rot -74:sc= 1.17 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -46:sc= 0.34 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -0.529 X(o=-0.53,f=-0.44) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00632 USER MOD Single : A 42 TYR OH : rot 149:sc= 0.312 USER MOD Single : A 43 ASN : amide:sc= -0.842 X(o=-0.84,f=-1.1) USER MOD Single : A 44 ASN : amide:sc= -0.0812 K(o=-0.081,f=-0.99) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 93:sc= 1.81 USER MOD Single : A 57 GLN : amide:sc= -1.42 K(o=-1.4,f=-5!) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.089) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.1!) USER MOD Single : A 82 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.35) USER MOD Single : A 85 TYR OH : rot 90:sc= -0.875 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-5.8!) USER MOD Single : A 92 THR OG1 : rot -130:sc= 0 USER MOD Single : A 95 SER OG : rot 10:sc= 0.48 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.0407 K(o=-0.041,f=-1.8!) USER MOD Single : A 103 SER OG : rot 56:sc= -0.0411 USER MOD Single : A 105 THR OG1 : rot -155:sc= 0.889 USER MOD Single : A 106 ASN : amide:sc= 0.0911 X(o=0.091,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 4.963 12.848 -7.125 1.00 0.00 N ATOM 16 CA SER A 2 5.031 12.546 -5.700 1.00 0.00 C ATOM 17 C SER A 2 6.437 12.830 -5.161 1.00 0.00 C ATOM 18 O SER A 2 7.220 11.917 -4.904 1.00 0.00 O ATOM 19 CB SER A 2 4.588 11.093 -5.483 1.00 0.00 C ATOM 20 OG SER A 2 4.568 10.779 -4.108 1.00 0.00 O ATOM 0 HA SER A 2 4.355 13.190 -5.138 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.597 10.942 -5.910 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.266 10.419 -6.006 1.00 0.00 H new ATOM 0 HG SER A 2 4.282 9.849 -3.989 1.00 0.00 H new ATOM 26 N ALA A 3 6.694 14.133 -5.005 1.00 0.00 N ATOM 27 CA ALA A 3 7.871 14.851 -4.527 1.00 0.00 C ATOM 28 C ALA A 3 7.878 16.122 -5.373 1.00 0.00 C ATOM 29 O ALA A 3 8.151 16.048 -6.571 1.00 0.00 O ATOM 30 CB ALA A 3 9.172 14.054 -4.670 1.00 0.00 C ATOM 0 H ALA A 3 5.966 14.804 -5.250 1.00 0.00 H new ATOM 0 HA ALA A 3 7.819 15.048 -3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.006 14.648 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.098 13.130 -4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.339 13.816 -5.720 1.00 0.00 H new ATOM 36 N THR A 4 7.578 17.277 -4.759 1.00 0.00 N ATOM 37 CA THR A 4 7.500 18.552 -5.464 1.00 0.00 C ATOM 38 C THR A 4 8.437 19.620 -4.906 1.00 0.00 C ATOM 39 O THR A 4 8.412 19.910 -3.713 1.00 0.00 O ATOM 40 CB THR A 4 6.057 19.089 -5.386 1.00 0.00 C ATOM 41 OG1 THR A 4 5.607 19.084 -4.056 1.00 0.00 O ATOM 42 CG2 THR A 4 5.048 18.292 -6.210 1.00 0.00 C ATOM 0 H THR A 4 7.384 17.346 -3.760 1.00 0.00 H new ATOM 0 HA THR A 4 7.807 18.353 -6.491 1.00 0.00 H new ATOM 0 HB THR A 4 6.109 20.097 -5.798 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.690 19.429 -4.020 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.058 18.735 -6.101 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.340 18.311 -7.260 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.025 17.261 -5.858 1.00 0.00 H new ATOM 50 N THR A 5 9.270 20.187 -5.785 1.00 0.00 N ATOM 51 CA THR A 5 10.191 21.265 -5.514 1.00 0.00 C ATOM 52 C THR A 5 9.793 22.241 -6.623 1.00 0.00 C ATOM 53 O THR A 5 10.174 22.101 -7.785 1.00 0.00 O ATOM 54 CB THR A 5 11.650 20.778 -5.462 1.00 0.00 C ATOM 55 OG1 THR A 5 12.060 20.714 -4.114 1.00 0.00 O ATOM 56 CG2 THR A 5 12.597 21.717 -6.200 1.00 0.00 C ATOM 0 H THR A 5 9.312 19.879 -6.756 1.00 0.00 H new ATOM 0 HA THR A 5 10.135 21.739 -4.534 1.00 0.00 H new ATOM 0 HB THR A 5 11.690 19.801 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.398 20.212 -3.594 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.615 21.332 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.300 21.785 -7.247 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.555 22.707 -5.746 1.00 0.00 H new ATOM 64 N CYS A 6 8.991 23.232 -6.228 1.00 0.00 N ATOM 65 CA CYS A 6 8.437 24.262 -7.085 1.00 0.00 C ATOM 66 C CYS A 6 9.215 25.557 -6.881 1.00 0.00 C ATOM 67 O CYS A 6 8.830 26.411 -6.082 1.00 0.00 O ATOM 68 CB CYS A 6 6.938 24.367 -6.763 1.00 0.00 C ATOM 69 SG CYS A 6 5.834 23.409 -7.848 1.00 0.00 S ATOM 0 H CYS A 6 8.702 23.336 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 6 8.531 24.027 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.781 24.040 -5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.646 25.416 -6.812 1.00 0.00 H new ATOM 74 N GLY A 7 10.325 25.678 -7.624 1.00 0.00 N ATOM 75 CA GLY A 7 11.226 26.816 -7.589 1.00 0.00 C ATOM 76 C GLY A 7 12.093 26.756 -6.334 1.00 0.00 C ATOM 77 O GLY A 7 13.263 26.383 -6.404 1.00 0.00 O ATOM 0 H GLY A 7 10.621 24.958 -8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.857 26.818 -8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.654 27.744 -7.602 1.00 0.00 H new ATOM 81 N SER A 8 11.497 27.133 -5.197 1.00 0.00 N ATOM 82 CA SER A 8 12.123 27.145 -3.883 1.00 0.00 C ATOM 83 C SER A 8 11.250 26.447 -2.835 1.00 0.00 C ATOM 84 O SER A 8 11.791 25.817 -1.927 1.00 0.00 O ATOM 85 CB SER A 8 12.421 28.592 -3.473 1.00 0.00 C ATOM 86 OG SER A 8 11.237 29.365 -3.455 1.00 0.00 O ATOM 0 H SER A 8 10.528 27.449 -5.173 1.00 0.00 H new ATOM 0 HA SER A 8 13.058 26.588 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.885 28.607 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.136 29.031 -4.168 1.00 0.00 H new ATOM 0 HG SER A 8 11.450 30.284 -3.189 1.00 0.00 H new ATOM 92 N THR A 9 9.917 26.542 -2.957 1.00 0.00 N ATOM 93 CA THR A 9 8.990 25.938 -2.011 1.00 0.00 C ATOM 94 C THR A 9 8.955 24.423 -2.227 1.00 0.00 C ATOM 95 O THR A 9 8.323 23.937 -3.166 1.00 0.00 O ATOM 96 CB THR A 9 7.602 26.591 -2.125 1.00 0.00 C ATOM 97 OG1 THR A 9 7.721 27.991 -2.281 1.00 0.00 O ATOM 98 CG2 THR A 9 6.797 26.327 -0.850 1.00 0.00 C ATOM 0 H THR A 9 9.459 27.043 -3.719 1.00 0.00 H new ATOM 0 HA THR A 9 9.330 26.115 -0.991 1.00 0.00 H new ATOM 0 HB THR A 9 7.100 26.163 -2.993 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.828 28.389 -2.354 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.815 26.792 -0.937 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.679 25.252 -0.710 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.323 26.748 0.006 1.00 0.00 H new ATOM 106 N ASN A 10 9.653 23.691 -1.350 1.00 0.00 N ATOM 107 CA ASN A 10 9.772 22.242 -1.383 1.00 0.00 C ATOM 108 C ASN A 10 8.702 21.575 -0.518 1.00 0.00 C ATOM 109 O ASN A 10 8.211 22.159 0.448 1.00 0.00 O ATOM 110 CB ASN A 10 11.181 21.851 -0.913 1.00 0.00 C ATOM 111 CG ASN A 10 11.410 20.337 -0.861 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.002 19.606 -1.763 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.057 19.862 0.206 1.00 0.00 N ATOM 0 H ASN A 10 10.165 24.113 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 10 9.617 21.893 -2.404 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.916 22.299 -1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.354 22.271 0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.229 18.860 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.380 20.501 0.933 1.00 0.00 H new ATOM 120 N TYR A 11 8.344 20.344 -0.899 1.00 0.00 N ATOM 121 CA TYR A 11 7.376 19.498 -0.227 1.00 0.00 C ATOM 122 C TYR A 11 7.764 18.037 -0.451 1.00 0.00 C ATOM 123 O TYR A 11 8.130 17.645 -1.562 1.00 0.00 O ATOM 124 CB TYR A 11 5.954 19.695 -0.757 1.00 0.00 C ATOM 125 CG TYR A 11 5.463 21.113 -0.954 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.676 21.775 -2.177 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.785 21.767 0.089 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.203 23.083 -2.363 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.313 23.076 -0.099 1.00 0.00 C ATOM 130 CZ TYR A 11 4.509 23.729 -1.328 1.00 0.00 C ATOM 131 OH TYR A 11 4.038 24.992 -1.513 1.00 0.00 O ATOM 0 H TYR A 11 8.745 19.898 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 11 7.385 19.768 0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.879 19.179 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.269 19.196 -0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.205 21.275 -2.975 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.628 21.264 1.032 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.373 23.592 -3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.798 23.583 0.704 1.00 0.00 H new ATOM 0 HH TYR A 11 3.235 25.125 -0.968 1.00 0.00 H new ATOM 141 N SER A 12 7.663 17.241 0.618 1.00 0.00 N ATOM 142 CA SER A 12 7.961 15.820 0.635 1.00 0.00 C ATOM 143 C SER A 12 6.890 15.070 -0.120 1.00 0.00 C ATOM 144 O SER A 12 5.762 15.542 -0.228 1.00 0.00 O ATOM 145 CB SER A 12 8.032 15.353 2.093 1.00 0.00 C ATOM 146 OG SER A 12 6.845 15.701 2.774 1.00 0.00 O ATOM 0 H SER A 12 7.359 17.590 1.527 1.00 0.00 H new ATOM 0 HA SER A 12 8.918 15.625 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.178 14.273 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.890 15.808 2.587 1.00 0.00 H new ATOM 0 HG SER A 12 6.900 15.397 3.704 1.00 0.00 H new ATOM 152 N ALA A 13 7.273 13.901 -0.648 1.00 0.00 N ATOM 153 CA ALA A 13 6.378 13.002 -1.356 1.00 0.00 C ATOM 154 C ALA A 13 5.183 12.704 -0.442 1.00 0.00 C ATOM 155 O ALA A 13 4.108 12.342 -0.917 1.00 0.00 O ATOM 156 CB ALA A 13 7.139 11.711 -1.665 1.00 0.00 C ATOM 0 H ALA A 13 8.231 13.555 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 13 6.025 13.445 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.484 11.021 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.006 11.939 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.470 11.252 -0.733 1.00 0.00 H new ATOM 162 N SER A 14 5.395 12.882 0.875 1.00 0.00 N ATOM 163 CA SER A 14 4.389 12.666 1.898 1.00 0.00 C ATOM 164 C SER A 14 3.347 13.788 1.828 1.00 0.00 C ATOM 165 O SER A 14 2.152 13.511 1.879 1.00 0.00 O ATOM 166 CB SER A 14 5.059 12.598 3.274 1.00 0.00 C ATOM 167 OG SER A 14 4.097 12.302 4.264 1.00 0.00 O ATOM 0 H SER A 14 6.293 13.186 1.252 1.00 0.00 H new ATOM 0 HA SER A 14 3.878 11.718 1.731 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.837 11.835 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.544 13.548 3.499 1.00 0.00 H new ATOM 0 HG SER A 14 4.533 12.259 5.141 1.00 0.00 H new ATOM 173 N GLN A 15 3.795 15.047 1.702 1.00 0.00 N ATOM 174 CA GLN A 15 2.925 16.212 1.613 1.00 0.00 C ATOM 175 C GLN A 15 2.147 16.282 0.300 1.00 0.00 C ATOM 176 O GLN A 15 1.007 16.744 0.303 1.00 0.00 O ATOM 177 CB GLN A 15 3.724 17.493 1.865 1.00 0.00 C ATOM 178 CG GLN A 15 3.983 17.673 3.365 1.00 0.00 C ATOM 179 CD GLN A 15 4.807 18.925 3.655 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.758 19.227 2.936 1.00 0.00 O ATOM 181 NE2 GLN A 15 4.444 19.656 4.712 1.00 0.00 N ATOM 0 H GLN A 15 4.787 15.279 1.659 1.00 0.00 H new ATOM 0 HA GLN A 15 2.172 16.110 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.672 17.450 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.177 18.353 1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.031 17.735 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.505 16.797 3.751 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.648 19.369 5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.963 20.502 4.950 1.00 0.00 H new ATOM 190 N VAL A 16 2.738 15.836 -0.813 1.00 0.00 N ATOM 191 CA VAL A 16 2.071 15.842 -2.112 1.00 0.00 C ATOM 192 C VAL A 16 0.883 14.884 -2.022 1.00 0.00 C ATOM 193 O VAL A 16 -0.239 15.245 -2.365 1.00 0.00 O ATOM 194 CB VAL A 16 3.006 15.351 -3.226 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.330 15.509 -4.576 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.316 16.139 -3.249 1.00 0.00 C ATOM 0 H VAL A 16 3.687 15.463 -0.836 1.00 0.00 H new ATOM 0 HA VAL A 16 1.762 16.860 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 16 3.227 14.302 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.000 15.159 -5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.411 14.922 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.093 16.560 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.952 15.763 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.103 17.194 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.828 16.022 -2.294 1.00 0.00 H new ATOM 206 N ARG A 17 1.168 13.664 -1.542 1.00 0.00 N ATOM 207 CA ARG A 17 0.224 12.574 -1.380 1.00 0.00 C ATOM 208 C ARG A 17 -0.890 12.966 -0.418 1.00 0.00 C ATOM 209 O ARG A 17 -2.053 12.704 -0.705 1.00 0.00 O ATOM 210 CB ARG A 17 0.998 11.343 -0.890 1.00 0.00 C ATOM 211 CG ARG A 17 0.098 10.129 -0.633 1.00 0.00 C ATOM 212 CD ARG A 17 0.964 8.915 -0.288 1.00 0.00 C ATOM 213 NE ARG A 17 0.140 7.754 0.068 1.00 0.00 N ATOM 214 CZ ARG A 17 0.622 6.520 0.298 1.00 0.00 C ATOM 215 NH1 ARG A 17 1.934 6.262 0.190 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.218 5.533 0.637 1.00 0.00 N ATOM 0 H ARG A 17 2.110 13.410 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.256 12.340 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.753 11.078 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.527 11.596 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.592 10.341 0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.507 9.918 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.599 8.666 -1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.626 9.162 0.542 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.867 7.893 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.581 7.007 -0.070 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.285 5.321 0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.217 5.720 0.719 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.142 4.595 0.813 1.00 0.00 H new ATOM 230 N ALA A 18 -0.545 13.599 0.709 1.00 0.00 N ATOM 231 CA ALA A 18 -1.515 14.008 1.715 1.00 0.00 C ATOM 232 C ALA A 18 -2.458 15.072 1.147 1.00 0.00 C ATOM 233 O ALA A 18 -3.679 14.923 1.214 1.00 0.00 O ATOM 234 CB ALA A 18 -0.787 14.512 2.963 1.00 0.00 C ATOM 0 H ALA A 18 0.418 13.840 0.944 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.123 13.149 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.518 14.817 3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.163 13.715 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.161 15.364 2.700 1.00 0.00 H new ATOM 240 N ALA A 19 -1.878 16.136 0.578 1.00 0.00 N ATOM 241 CA ALA A 19 -2.609 17.246 -0.020 1.00 0.00 C ATOM 242 C ALA A 19 -3.511 16.762 -1.152 1.00 0.00 C ATOM 243 O ALA A 19 -4.605 17.296 -1.335 1.00 0.00 O ATOM 244 CB ALA A 19 -1.621 18.294 -0.543 1.00 0.00 C ATOM 0 H ALA A 19 -0.865 16.246 0.522 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.241 17.695 0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.171 19.122 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.013 18.665 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.974 17.841 -1.295 1.00 0.00 H new ATOM 250 N ALA A 20 -3.051 15.751 -1.903 1.00 0.00 N ATOM 251 CA ALA A 20 -3.787 15.196 -3.021 1.00 0.00 C ATOM 252 C ALA A 20 -4.902 14.265 -2.593 1.00 0.00 C ATOM 253 O ALA A 20 -5.967 14.298 -3.202 1.00 0.00 O ATOM 254 CB ALA A 20 -2.831 14.539 -4.017 1.00 0.00 C ATOM 0 H ALA A 20 -2.150 15.300 -1.741 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.284 16.025 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.400 14.127 -4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.127 15.283 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.283 13.738 -3.521 1.00 0.00 H new ATOM 260 N ASN A 21 -4.674 13.437 -1.572 1.00 0.00 N ATOM 261 CA ASN A 21 -5.707 12.551 -1.065 1.00 0.00 C ATOM 262 C ASN A 21 -6.805 13.421 -0.435 1.00 0.00 C ATOM 263 O ASN A 21 -7.954 12.989 -0.331 1.00 0.00 O ATOM 264 CB ASN A 21 -5.120 11.581 -0.025 1.00 0.00 C ATOM 265 CG ASN A 21 -4.104 10.596 -0.608 1.00 0.00 C ATOM 266 OD1 ASN A 21 -3.865 10.566 -1.814 1.00 0.00 O ATOM 267 ND2 ASN A 21 -3.490 9.789 0.261 1.00 0.00 N ATOM 0 H ASN A 21 -3.781 13.366 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.122 11.951 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.641 12.157 0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.933 11.020 0.436 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.796 9.118 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.715 9.843 1.254 1.00 0.00 H new ATOM 274 N ALA A 22 -6.454 14.662 -0.043 1.00 0.00 N ATOM 275 CA ALA A 22 -7.393 15.566 0.602 1.00 0.00 C ATOM 276 C ALA A 22 -8.267 16.121 -0.507 1.00 0.00 C ATOM 277 O ALA A 22 -9.468 15.869 -0.532 1.00 0.00 O ATOM 278 CB ALA A 22 -6.663 16.654 1.393 1.00 0.00 C ATOM 0 H ALA A 22 -5.519 15.051 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.008 15.054 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.392 17.313 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.044 16.192 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.032 17.233 0.718 1.00 0.00 H new ATOM 284 N ALA A 23 -7.647 16.870 -1.423 1.00 0.00 N ATOM 285 CA ALA A 23 -8.314 17.443 -2.582 1.00 0.00 C ATOM 286 C ALA A 23 -9.151 16.408 -3.343 1.00 0.00 C ATOM 287 O ALA A 23 -10.197 16.753 -3.880 1.00 0.00 O ATOM 288 CB ALA A 23 -7.255 18.018 -3.505 1.00 0.00 C ATOM 0 H ALA A 23 -6.653 17.095 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.999 18.217 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.734 18.453 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.693 18.789 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.576 17.225 -3.819 1.00 0.00 H new ATOM 294 N CYS A 24 -8.687 15.151 -3.396 1.00 0.00 N ATOM 295 CA CYS A 24 -9.365 14.040 -4.049 1.00 0.00 C ATOM 296 C CYS A 24 -10.727 13.822 -3.401 1.00 0.00 C ATOM 297 O CYS A 24 -11.754 13.915 -4.072 1.00 0.00 O ATOM 298 CB CYS A 24 -8.502 12.773 -3.939 1.00 0.00 C ATOM 299 SG CYS A 24 -9.398 11.195 -3.934 1.00 0.00 S ATOM 0 H CYS A 24 -7.801 14.879 -2.970 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.514 14.268 -5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.797 12.765 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.914 12.837 -3.023 1.00 0.00 H new ATOM 304 N GLN A 25 -10.725 13.534 -2.093 1.00 0.00 N ATOM 305 CA GLN A 25 -11.946 13.282 -1.343 1.00 0.00 C ATOM 306 C GLN A 25 -12.857 14.515 -1.268 1.00 0.00 C ATOM 307 O GLN A 25 -14.056 14.368 -1.038 1.00 0.00 O ATOM 308 CB GLN A 25 -11.565 12.798 0.064 1.00 0.00 C ATOM 309 CG GLN A 25 -10.916 11.407 0.021 1.00 0.00 C ATOM 310 CD GLN A 25 -10.354 11.009 1.383 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.140 10.907 1.550 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.237 10.781 2.360 1.00 0.00 N ATOM 0 H GLN A 25 -9.875 13.471 -1.533 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.519 12.515 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.876 13.509 0.521 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.455 12.767 0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.653 10.670 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.116 11.400 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.236 10.877 2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.912 10.511 3.288 1.00 0.00 H new ATOM 321 N TYR A 26 -12.300 15.719 -1.474 1.00 0.00 N ATOM 322 CA TYR A 26 -13.017 16.985 -1.404 1.00 0.00 C ATOM 323 C TYR A 26 -13.523 17.452 -2.778 1.00 0.00 C ATOM 324 O TYR A 26 -14.448 18.256 -2.833 1.00 0.00 O ATOM 325 CB TYR A 26 -12.123 18.050 -0.735 1.00 0.00 C ATOM 326 CG TYR A 26 -11.790 17.889 0.747 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.597 16.634 1.361 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.683 19.050 1.531 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.302 16.539 2.730 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.396 18.953 2.905 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.207 17.701 3.508 1.00 0.00 C ATOM 332 OH TYR A 26 -10.934 17.613 4.842 1.00 0.00 O ATOM 0 H TYR A 26 -11.312 15.833 -1.699 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.908 16.835 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.183 18.088 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.606 19.018 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.677 15.734 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.822 20.020 1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.148 15.571 3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.321 19.851 3.501 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.287 18.306 5.090 1.00 0.00 H new ATOM 342 N TYR A 27 -12.952 16.964 -3.888 1.00 0.00 N ATOM 343 CA TYR A 27 -13.348 17.357 -5.240 1.00 0.00 C ATOM 344 C TYR A 27 -14.684 16.744 -5.670 1.00 0.00 C ATOM 345 O TYR A 27 -15.434 17.386 -6.403 1.00 0.00 O ATOM 346 CB TYR A 27 -12.232 17.015 -6.244 1.00 0.00 C ATOM 347 CG TYR A 27 -12.661 17.001 -7.706 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.296 18.124 -8.282 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.436 15.853 -8.491 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.703 18.093 -9.627 1.00 0.00 C ATOM 351 CE2 TYR A 27 -12.850 15.826 -9.832 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.488 16.938 -10.401 1.00 0.00 C ATOM 353 OH TYR A 27 -13.890 16.897 -11.705 1.00 0.00 O ATOM 0 H TYR A 27 -12.196 16.280 -3.868 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.497 18.437 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.424 17.737 -6.125 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.825 16.036 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.469 19.009 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.945 14.993 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.181 18.956 -10.066 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.676 14.943 -10.429 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.662 16.025 -12.090 1.00 0.00 H new ATOM 363 N GLN A 28 -14.999 15.524 -5.218 1.00 0.00 N ATOM 364 CA GLN A 28 -16.229 14.834 -5.591 1.00 0.00 C ATOM 365 C GLN A 28 -17.495 15.574 -5.140 1.00 0.00 C ATOM 366 O GLN A 28 -18.585 15.248 -5.607 1.00 0.00 O ATOM 367 CB GLN A 28 -16.180 13.374 -5.126 1.00 0.00 C ATOM 368 CG GLN A 28 -15.052 12.630 -5.860 1.00 0.00 C ATOM 369 CD GLN A 28 -15.100 11.120 -5.638 1.00 0.00 C ATOM 370 OE1 GLN A 28 -15.628 10.647 -4.634 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.546 10.359 -6.586 1.00 0.00 N ATOM 0 H GLN A 28 -14.404 14.991 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.293 14.830 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.016 13.331 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.136 12.888 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.120 12.838 -6.928 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.089 13.013 -5.521 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.118 10.794 -7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.551 9.343 -6.492 1.00 0.00 H new ATOM 380 N ASN A 29 -17.350 16.549 -4.234 1.00 0.00 N ATOM 381 CA ASN A 29 -18.418 17.391 -3.715 1.00 0.00 C ATOM 382 C ASN A 29 -19.316 16.610 -2.761 1.00 0.00 C ATOM 383 O ASN A 29 -20.467 16.299 -3.062 1.00 0.00 O ATOM 384 CB ASN A 29 -19.167 18.121 -4.844 1.00 0.00 C ATOM 385 CG ASN A 29 -19.996 19.292 -4.313 1.00 0.00 C ATOM 386 OD1 ASN A 29 -19.556 20.439 -4.366 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.199 19.006 -3.808 1.00 0.00 N ATOM 0 H ASN A 29 -16.442 16.777 -3.829 1.00 0.00 H new ATOM 0 HA ASN A 29 -17.977 18.187 -3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.450 18.487 -5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.821 17.418 -5.360 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.791 19.754 -3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.525 18.040 -3.783 1.00 0.00 H new ATOM 394 N ASP A 30 -18.736 16.297 -1.603 1.00 0.00 N ATOM 395 CA ASP A 30 -19.361 15.589 -0.497 1.00 0.00 C ATOM 396 C ASP A 30 -18.936 16.354 0.754 1.00 0.00 C ATOM 397 O ASP A 30 -18.315 15.793 1.654 1.00 0.00 O ATOM 398 CB ASP A 30 -18.890 14.128 -0.495 1.00 0.00 C ATOM 399 CG ASP A 30 -19.285 13.409 -1.784 1.00 0.00 C ATOM 400 OD1 ASP A 30 -20.452 12.967 -1.855 1.00 0.00 O ATOM 401 OD2 ASP A 30 -18.417 13.323 -2.681 1.00 0.00 O ATOM 0 H ASP A 30 -17.767 16.545 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.448 15.550 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.807 14.094 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -19.321 13.607 0.360 1.00 0.00 H new ATOM 406 N ASP A 31 -19.280 17.654 0.773 1.00 0.00 N ATOM 407 CA ASP A 31 -18.963 18.630 1.812 1.00 0.00 C ATOM 408 C ASP A 31 -17.481 18.992 1.674 1.00 0.00 C ATOM 409 O ASP A 31 -16.735 18.265 1.018 1.00 0.00 O ATOM 410 CB ASP A 31 -19.321 18.128 3.218 1.00 0.00 C ATOM 411 CG ASP A 31 -19.381 19.253 4.252 1.00 0.00 C ATOM 412 OD1 ASP A 31 -20.071 20.259 3.974 1.00 0.00 O ATOM 413 OD2 ASP A 31 -18.742 19.087 5.313 1.00 0.00 O ATOM 0 H ASP A 31 -19.820 18.069 0.013 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.572 19.524 1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.285 17.621 3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.584 17.390 3.534 1.00 0.00 H new ATOM 418 N THR A 32 -17.040 20.104 2.280 1.00 0.00 N ATOM 419 CA THR A 32 -15.650 20.544 2.187 1.00 0.00 C ATOM 420 C THR A 32 -15.251 20.660 0.728 1.00 0.00 C ATOM 421 O THR A 32 -14.300 20.028 0.304 1.00 0.00 O ATOM 422 CB THR A 32 -14.708 19.708 3.078 1.00 0.00 C ATOM 423 OG1 THR A 32 -14.526 18.385 2.612 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.203 19.657 4.527 1.00 0.00 C ATOM 0 H THR A 32 -17.634 20.715 2.842 1.00 0.00 H new ATOM 0 HA THR A 32 -15.548 21.545 2.606 1.00 0.00 H new ATOM 0 HB THR A 32 -13.746 20.218 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.616 18.283 2.264 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.515 19.060 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.251 20.668 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.195 19.207 4.557 1.00 0.00 H new ATOM 432 N ALA A 33 -15.995 21.462 -0.043 1.00 0.00 N ATOM 433 CA ALA A 33 -15.718 21.640 -1.461 1.00 0.00 C ATOM 434 C ALA A 33 -16.149 23.013 -1.974 1.00 0.00 C ATOM 435 O ALA A 33 -17.002 23.671 -1.379 1.00 0.00 O ATOM 436 CB ALA A 33 -16.417 20.514 -2.221 1.00 0.00 C ATOM 0 H ALA A 33 -16.794 21.996 0.299 1.00 0.00 H new ATOM 0 HA ALA A 33 -14.641 21.594 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.226 20.623 -3.289 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.034 19.552 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.490 20.563 -2.037 1.00 0.00 H new ATOM 442 N GLY A 34 -15.542 23.426 -3.094 1.00 0.00 N ATOM 443 CA GLY A 34 -15.773 24.695 -3.766 1.00 0.00 C ATOM 444 C GLY A 34 -15.471 25.895 -2.869 1.00 0.00 C ATOM 445 O GLY A 34 -16.402 26.560 -2.416 1.00 0.00 O ATOM 0 H GLY A 34 -14.846 22.853 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.151 24.748 -4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.811 24.744 -4.096 1.00 0.00 H new ATOM 449 N SER A 35 -14.185 26.184 -2.620 1.00 0.00 N ATOM 450 CA SER A 35 -13.789 27.317 -1.790 1.00 0.00 C ATOM 451 C SER A 35 -14.031 28.625 -2.548 1.00 0.00 C ATOM 452 O SER A 35 -14.867 29.428 -2.139 1.00 0.00 O ATOM 453 CB SER A 35 -12.340 27.174 -1.297 1.00 0.00 C ATOM 454 OG SER A 35 -11.401 27.220 -2.348 1.00 0.00 O ATOM 0 H SER A 35 -13.403 25.642 -2.987 1.00 0.00 H new ATOM 0 HA SER A 35 -14.408 27.335 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.122 27.971 -0.586 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.234 26.231 -0.762 1.00 0.00 H new ATOM 0 HG SER A 35 -11.428 26.377 -2.848 1.00 0.00 H new ATOM 460 N SER A 36 -13.292 28.829 -3.646 1.00 0.00 N ATOM 461 CA SER A 36 -13.385 29.992 -4.517 1.00 0.00 C ATOM 462 C SER A 36 -13.331 29.498 -5.962 1.00 0.00 C ATOM 463 O SER A 36 -14.258 29.747 -6.733 1.00 0.00 O ATOM 464 CB SER A 36 -12.259 30.985 -4.198 1.00 0.00 C ATOM 465 OG SER A 36 -12.424 31.507 -2.897 1.00 0.00 O ATOM 0 H SER A 36 -12.589 28.159 -3.958 1.00 0.00 H new ATOM 0 HA SER A 36 -14.322 30.526 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.292 30.488 -4.278 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.262 31.796 -4.926 1.00 0.00 H new ATOM 0 HG SER A 36 -11.700 32.138 -2.703 1.00 0.00 H new ATOM 471 N THR A 37 -12.247 28.795 -6.319 1.00 0.00 N ATOM 472 CA THR A 37 -12.028 28.220 -7.642 1.00 0.00 C ATOM 473 C THR A 37 -11.027 27.059 -7.542 1.00 0.00 C ATOM 474 O THR A 37 -10.157 26.910 -8.395 1.00 0.00 O ATOM 475 CB THR A 37 -11.647 29.322 -8.655 1.00 0.00 C ATOM 476 OG1 THR A 37 -11.552 28.788 -9.962 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.352 30.068 -8.313 1.00 0.00 C ATOM 0 H THR A 37 -11.480 28.609 -5.673 1.00 0.00 H new ATOM 0 HA THR A 37 -12.949 27.787 -8.031 1.00 0.00 H new ATOM 0 HB THR A 37 -12.453 30.054 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.044 27.950 -9.937 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.156 30.824 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.455 30.549 -7.340 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.523 29.362 -8.282 1.00 0.00 H new ATOM 485 N TYR A 38 -11.169 26.241 -6.485 1.00 0.00 N ATOM 486 CA TYR A 38 -10.369 25.063 -6.157 1.00 0.00 C ATOM 487 C TYR A 38 -11.086 24.352 -4.992 1.00 0.00 C ATOM 488 O TYR A 38 -11.334 24.996 -3.975 1.00 0.00 O ATOM 489 CB TYR A 38 -8.982 25.465 -5.615 1.00 0.00 C ATOM 490 CG TYR A 38 -8.061 26.316 -6.474 1.00 0.00 C ATOM 491 CD1 TYR A 38 -7.206 25.719 -7.422 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.050 27.714 -6.311 1.00 0.00 C ATOM 493 CE1 TYR A 38 -6.348 26.515 -8.200 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.193 28.509 -7.088 1.00 0.00 C ATOM 495 CZ TYR A 38 -6.341 27.911 -8.033 1.00 0.00 C ATOM 496 OH TYR A 38 -5.499 28.680 -8.782 1.00 0.00 O ATOM 0 H TYR A 38 -11.900 26.403 -5.792 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.254 24.450 -7.051 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.140 25.998 -4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.447 24.547 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.210 24.647 -7.551 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.703 28.176 -5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.694 26.055 -8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.188 29.581 -6.960 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.620 29.623 -8.545 1.00 0.00 H new ATOM 506 N PRO A 39 -11.450 23.063 -5.076 1.00 0.00 N ATOM 507 CA PRO A 39 -11.302 22.178 -6.214 1.00 0.00 C ATOM 508 C PRO A 39 -12.304 22.567 -7.302 1.00 0.00 C ATOM 509 O PRO A 39 -13.444 22.921 -7.005 1.00 0.00 O ATOM 510 CB PRO A 39 -11.576 20.777 -5.669 1.00 0.00 C ATOM 511 CG PRO A 39 -12.575 21.030 -4.542 1.00 0.00 C ATOM 512 CD PRO A 39 -12.096 22.365 -3.977 1.00 0.00 C ATOM 0 HA PRO A 39 -10.313 22.233 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.990 20.121 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.666 20.303 -5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.599 21.089 -4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.551 20.239 -3.792 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.932 22.945 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.401 22.211 -3.152 1.00 0.00 H new ATOM 520 N HIS A 40 -11.863 22.509 -8.561 1.00 0.00 N ATOM 521 CA HIS A 40 -12.676 22.834 -9.723 1.00 0.00 C ATOM 522 C HIS A 40 -12.121 22.112 -10.946 1.00 0.00 C ATOM 523 O HIS A 40 -10.936 21.781 -10.988 1.00 0.00 O ATOM 524 CB HIS A 40 -12.700 24.352 -9.961 1.00 0.00 C ATOM 525 CG HIS A 40 -11.420 24.903 -10.542 1.00 0.00 C ATOM 526 ND1 HIS A 40 -11.409 25.807 -11.594 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.096 24.685 -10.243 1.00 0.00 C ATOM 528 CE1 HIS A 40 -10.124 26.082 -11.873 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.273 25.430 -11.081 1.00 0.00 N ATOM 0 H HIS A 40 -10.912 22.229 -8.800 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.700 22.506 -9.544 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.524 24.591 -10.633 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.904 24.854 -9.015 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.226 26.192 -12.068 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.743 24.025 -9.464 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -9.814 26.759 -12.655 1.00 0.00 H new ATOM 537 N THR A 41 -12.988 21.886 -11.940 1.00 0.00 N ATOM 538 CA THR A 41 -12.629 21.226 -13.185 1.00 0.00 C ATOM 539 C THR A 41 -11.655 22.083 -13.990 1.00 0.00 C ATOM 540 O THR A 41 -11.629 23.308 -13.865 1.00 0.00 O ATOM 541 CB THR A 41 -13.883 20.918 -14.020 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.719 22.055 -14.111 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.659 19.735 -13.437 1.00 0.00 C ATOM 0 H THR A 41 -13.969 22.163 -11.894 1.00 0.00 H new ATOM 0 HA THR A 41 -12.139 20.284 -12.938 1.00 0.00 H new ATOM 0 HB THR A 41 -13.553 20.648 -15.023 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.510 21.838 -14.648 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.540 19.541 -14.049 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.022 18.851 -13.428 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.969 19.969 -12.419 1.00 0.00 H new ATOM 551 N TYR A 42 -10.846 21.407 -14.809 1.00 0.00 N ATOM 552 CA TYR A 42 -9.858 22.014 -15.685 1.00 0.00 C ATOM 553 C TYR A 42 -9.681 21.061 -16.866 1.00 0.00 C ATOM 554 O TYR A 42 -9.330 19.895 -16.678 1.00 0.00 O ATOM 555 CB TYR A 42 -8.570 22.326 -14.897 1.00 0.00 C ATOM 556 CG TYR A 42 -7.279 21.736 -15.439 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.651 22.317 -16.555 1.00 0.00 C ATOM 558 CD2 TYR A 42 -6.701 20.611 -14.822 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.463 21.766 -17.065 1.00 0.00 C ATOM 560 CE2 TYR A 42 -5.515 20.057 -15.335 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.900 20.628 -16.462 1.00 0.00 C ATOM 562 OH TYR A 42 -3.753 20.086 -16.966 1.00 0.00 O ATOM 0 H TYR A 42 -10.866 20.390 -14.878 1.00 0.00 H new ATOM 0 HA TYR A 42 -10.171 22.981 -16.078 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.455 23.409 -14.848 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.703 21.973 -13.874 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.083 23.190 -17.022 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.169 20.173 -13.953 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.982 22.217 -17.921 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.076 19.191 -14.862 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.237 19.678 -16.239 1.00 0.00 H new ATOM 572 N ASN A 43 -9.940 21.562 -18.081 1.00 0.00 N ATOM 573 CA ASN A 43 -9.851 20.797 -19.317 1.00 0.00 C ATOM 574 C ASN A 43 -8.494 20.996 -19.995 1.00 0.00 C ATOM 575 O ASN A 43 -7.652 21.748 -19.510 1.00 0.00 O ATOM 576 CB ASN A 43 -11.020 21.212 -20.224 1.00 0.00 C ATOM 577 CG ASN A 43 -11.345 20.150 -21.273 1.00 0.00 C ATOM 578 OD1 ASN A 43 -11.030 20.313 -22.451 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.969 19.053 -20.840 1.00 0.00 N ATOM 0 H ASN A 43 -10.223 22.531 -18.228 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.926 19.731 -19.104 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.903 21.398 -19.613 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.775 22.149 -20.723 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.204 18.307 -21.495 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.211 18.960 -19.854 1.00 0.00 H new ATOM 586 N ASN A 44 -8.283 20.305 -21.121 1.00 0.00 N ATOM 587 CA ASN A 44 -7.057 20.353 -21.898 1.00 0.00 C ATOM 588 C ASN A 44 -7.048 21.628 -22.744 1.00 0.00 C ATOM 589 O ASN A 44 -7.629 21.652 -23.828 1.00 0.00 O ATOM 590 CB ASN A 44 -6.957 19.096 -22.775 1.00 0.00 C ATOM 591 CG ASN A 44 -6.985 17.806 -21.953 1.00 0.00 C ATOM 592 OD1 ASN A 44 -5.937 17.256 -21.619 1.00 0.00 O ATOM 593 ND2 ASN A 44 -8.184 17.313 -21.633 1.00 0.00 N ATOM 0 H ASN A 44 -8.985 19.682 -21.521 1.00 0.00 H new ATOM 0 HA ASN A 44 -6.190 20.373 -21.238 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.782 19.087 -23.488 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.035 19.134 -23.355 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.253 16.451 -21.093 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.031 17.799 -21.929 1.00 0.00 H new ATOM 600 N TYR A 45 -6.395 22.690 -22.247 1.00 0.00 N ATOM 601 CA TYR A 45 -6.313 23.973 -22.932 1.00 0.00 C ATOM 602 C TYR A 45 -5.220 23.929 -24.003 1.00 0.00 C ATOM 603 O TYR A 45 -5.472 23.437 -25.102 1.00 0.00 O ATOM 604 CB TYR A 45 -6.134 25.107 -21.910 1.00 0.00 C ATOM 605 CG TYR A 45 -7.355 25.339 -21.040 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.440 26.084 -21.541 1.00 0.00 C ATOM 607 CD2 TYR A 45 -7.415 24.811 -19.738 1.00 0.00 C ATOM 608 CE1 TYR A 45 -9.580 26.294 -20.747 1.00 0.00 C ATOM 609 CE2 TYR A 45 -8.558 25.018 -18.944 1.00 0.00 C ATOM 610 CZ TYR A 45 -9.643 25.757 -19.449 1.00 0.00 C ATOM 611 OH TYR A 45 -10.750 25.960 -18.677 1.00 0.00 O ATOM 0 H TYR A 45 -5.908 22.674 -21.351 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.246 24.180 -23.457 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.281 24.878 -21.271 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.896 26.029 -22.441 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.396 26.495 -22.539 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.582 24.246 -19.347 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.409 26.868 -21.134 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.602 24.609 -17.945 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.629 25.520 -17.810 1.00 0.00 H new ATOM 621 N GLU A 46 -4.018 24.441 -23.700 1.00 0.00 N ATOM 622 CA GLU A 46 -2.900 24.471 -24.637 1.00 0.00 C ATOM 623 C GLU A 46 -1.560 24.604 -23.903 1.00 0.00 C ATOM 624 O GLU A 46 -0.641 25.257 -24.399 1.00 0.00 O ATOM 625 CB GLU A 46 -3.117 25.573 -25.689 1.00 0.00 C ATOM 626 CG GLU A 46 -3.231 26.980 -25.084 1.00 0.00 C ATOM 627 CD GLU A 46 -3.576 28.012 -26.155 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.702 28.255 -27.014 1.00 0.00 O ATOM 629 OE2 GLU A 46 -4.708 28.539 -26.097 1.00 0.00 O ATOM 0 H GLU A 46 -3.799 24.847 -22.790 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.859 23.520 -25.168 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.289 25.556 -26.398 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.024 25.353 -26.253 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.998 26.985 -24.309 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.291 27.250 -24.604 1.00 0.00 H new ATOM 636 N GLY A 47 -1.447 23.974 -22.726 1.00 0.00 N ATOM 637 CA GLY A 47 -0.251 23.968 -21.895 1.00 0.00 C ATOM 638 C GLY A 47 0.212 22.528 -21.697 1.00 0.00 C ATOM 639 O GLY A 47 -0.055 21.673 -22.543 1.00 0.00 O ATOM 0 H GLY A 47 -2.214 23.439 -22.319 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.537 24.555 -22.366 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.461 24.432 -20.931 1.00 0.00 H new ATOM 643 N PHE A 48 0.913 22.264 -20.586 1.00 0.00 N ATOM 644 CA PHE A 48 1.403 20.936 -20.242 1.00 0.00 C ATOM 645 C PHE A 48 0.275 20.106 -19.632 1.00 0.00 C ATOM 646 O PHE A 48 0.278 19.800 -18.440 1.00 0.00 O ATOM 647 CB PHE A 48 2.676 20.982 -19.375 1.00 0.00 C ATOM 648 CG PHE A 48 2.900 22.181 -18.465 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.868 22.728 -17.669 1.00 0.00 C ATOM 650 CD2 PHE A 48 4.188 22.750 -18.417 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.131 23.849 -16.860 1.00 0.00 C ATOM 652 CE2 PHE A 48 4.449 23.854 -17.592 1.00 0.00 C ATOM 653 CZ PHE A 48 3.420 24.408 -16.819 1.00 0.00 C ATOM 0 H PHE A 48 1.155 22.978 -19.899 1.00 0.00 H new ATOM 0 HA PHE A 48 1.717 20.434 -21.157 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.683 20.088 -18.751 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.534 20.910 -20.044 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.882 22.288 -17.682 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.981 22.333 -19.020 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.338 24.282 -16.268 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.442 24.277 -17.553 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.617 25.265 -16.192 1.00 0.00 H new ATOM 663 N ASP A 49 -0.700 19.751 -20.479 1.00 0.00 N ATOM 664 CA ASP A 49 -1.840 18.941 -20.102 1.00 0.00 C ATOM 665 C ASP A 49 -1.321 17.511 -19.992 1.00 0.00 C ATOM 666 O ASP A 49 -0.845 16.934 -20.969 1.00 0.00 O ATOM 667 CB ASP A 49 -2.968 19.084 -21.126 1.00 0.00 C ATOM 668 CG ASP A 49 -3.403 20.543 -21.290 1.00 0.00 C ATOM 669 OD1 ASP A 49 -3.827 21.130 -20.272 1.00 0.00 O ATOM 670 OD2 ASP A 49 -3.303 21.048 -22.430 1.00 0.00 O ATOM 0 H ASP A 49 -0.708 20.029 -21.460 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.272 19.257 -19.152 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.638 18.692 -22.088 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.822 18.483 -20.813 1.00 0.00 H new ATOM 675 N PHE A 50 -1.431 16.954 -18.786 1.00 0.00 N ATOM 676 CA PHE A 50 -0.961 15.625 -18.424 1.00 0.00 C ATOM 677 C PHE A 50 -1.715 14.544 -19.203 1.00 0.00 C ATOM 678 O PHE A 50 -2.928 14.449 -19.047 1.00 0.00 O ATOM 679 CB PHE A 50 -1.111 15.440 -16.904 1.00 0.00 C ATOM 680 CG PHE A 50 -0.831 16.703 -16.106 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.481 17.208 -16.009 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.888 17.384 -15.473 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.731 18.387 -15.286 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.635 18.558 -14.746 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.327 19.061 -14.650 1.00 0.00 C ATOM 0 H PHE A 50 -1.869 17.441 -18.004 1.00 0.00 H new ATOM 0 HA PHE A 50 0.091 15.525 -18.690 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.123 15.100 -16.686 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.432 14.654 -16.574 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.296 16.688 -16.491 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.896 17.002 -15.547 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.736 18.776 -15.219 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.448 19.076 -14.259 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.134 19.963 -14.089 1.00 0.00 H new ATOM 695 N PRO A 51 -1.049 13.731 -20.044 1.00 0.00 N ATOM 696 CA PRO A 51 -1.696 12.671 -20.806 1.00 0.00 C ATOM 697 C PRO A 51 -1.946 11.459 -19.902 1.00 0.00 C ATOM 698 O PRO A 51 -1.101 10.570 -19.807 1.00 0.00 O ATOM 699 CB PRO A 51 -0.713 12.367 -21.941 1.00 0.00 C ATOM 700 CG PRO A 51 0.651 12.612 -21.291 1.00 0.00 C ATOM 701 CD PRO A 51 0.375 13.782 -20.345 1.00 0.00 C ATOM 0 HA PRO A 51 -2.674 12.948 -21.200 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.812 11.341 -22.297 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.874 13.019 -22.800 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.006 11.733 -20.753 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.412 12.862 -22.031 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.969 13.696 -19.435 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.641 14.731 -20.811 1.00 0.00 H new ATOM 709 N VAL A 52 -3.114 11.423 -19.239 1.00 0.00 N ATOM 710 CA VAL A 52 -3.497 10.353 -18.324 1.00 0.00 C ATOM 711 C VAL A 52 -4.944 9.919 -18.577 1.00 0.00 C ATOM 712 O VAL A 52 -5.179 8.771 -18.953 1.00 0.00 O ATOM 713 CB VAL A 52 -3.264 10.786 -16.862 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.523 9.609 -15.913 1.00 0.00 C ATOM 715 CG2 VAL A 52 -1.830 11.282 -16.630 1.00 0.00 C ATOM 0 H VAL A 52 -3.823 12.150 -19.330 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.865 9.484 -18.509 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.957 11.603 -16.661 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.355 9.927 -14.884 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.553 9.271 -16.025 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.845 8.791 -16.155 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.711 11.576 -15.587 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.126 10.483 -16.864 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.633 12.139 -17.274 1.00 0.00 H new ATOM 725 N ASP A 53 -5.911 10.824 -18.365 1.00 0.00 N ATOM 726 CA ASP A 53 -7.334 10.567 -18.553 1.00 0.00 C ATOM 727 C ASP A 53 -8.054 11.849 -18.999 1.00 0.00 C ATOM 728 O ASP A 53 -7.684 12.411 -20.029 1.00 0.00 O ATOM 729 CB ASP A 53 -7.929 9.870 -17.315 1.00 0.00 C ATOM 730 CG ASP A 53 -7.718 10.587 -15.979 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.295 11.764 -15.984 1.00 0.00 O ATOM 732 OD2 ASP A 53 -7.999 9.924 -14.958 1.00 0.00 O ATOM 0 H ASP A 53 -5.714 11.774 -18.051 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.487 9.859 -19.368 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.000 9.744 -17.473 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.498 8.872 -17.242 1.00 0.00 H new ATOM 737 N GLY A 54 -9.072 12.310 -18.257 1.00 0.00 N ATOM 738 CA GLY A 54 -9.833 13.506 -18.588 1.00 0.00 C ATOM 739 C GLY A 54 -11.290 13.362 -18.142 1.00 0.00 C ATOM 740 O GLY A 54 -11.884 12.318 -18.413 1.00 0.00 O ATOM 0 H GLY A 54 -9.387 11.852 -17.402 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.384 14.374 -18.105 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.792 13.683 -19.663 1.00 0.00 H new ATOM 744 N PRO A 55 -11.890 14.358 -17.460 1.00 0.00 N ATOM 745 CA PRO A 55 -11.318 15.633 -17.034 1.00 0.00 C ATOM 746 C PRO A 55 -10.238 15.512 -15.946 1.00 0.00 C ATOM 747 O PRO A 55 -9.720 14.431 -15.666 1.00 0.00 O ATOM 748 CB PRO A 55 -12.510 16.458 -16.512 1.00 0.00 C ATOM 749 CG PRO A 55 -13.737 15.753 -17.081 1.00 0.00 C ATOM 750 CD PRO A 55 -13.281 14.300 -17.045 1.00 0.00 C ATOM 0 HA PRO A 55 -10.802 16.097 -17.875 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.533 16.478 -15.422 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.455 17.493 -16.849 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.627 15.921 -16.475 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.972 16.086 -18.092 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.382 13.874 -16.047 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.873 13.679 -17.718 1.00 0.00 H new ATOM 758 N TYR A 56 -9.910 16.660 -15.341 1.00 0.00 N ATOM 759 CA TYR A 56 -8.934 16.829 -14.275 1.00 0.00 C ATOM 760 C TYR A 56 -9.431 17.929 -13.342 1.00 0.00 C ATOM 761 O TYR A 56 -10.430 18.585 -13.635 1.00 0.00 O ATOM 762 CB TYR A 56 -7.593 17.259 -14.889 1.00 0.00 C ATOM 763 CG TYR A 56 -7.009 16.307 -15.909 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.403 16.398 -17.258 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.067 15.340 -15.518 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.874 15.510 -18.207 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.537 14.453 -16.467 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.950 14.532 -17.809 1.00 0.00 C ATOM 769 OH TYR A 56 -5.448 13.663 -18.728 1.00 0.00 O ATOM 0 H TYR A 56 -10.348 17.543 -15.603 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.804 15.896 -13.726 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.725 18.233 -15.360 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.870 17.390 -14.084 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.113 17.152 -17.563 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.751 15.280 -14.487 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.177 15.579 -19.241 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.813 13.710 -16.167 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.606 14.015 -19.086 1.00 0.00 H new ATOM 779 N GLN A 57 -8.726 18.135 -12.222 1.00 0.00 N ATOM 780 CA GLN A 57 -9.069 19.157 -11.245 1.00 0.00 C ATOM 781 C GLN A 57 -7.816 19.703 -10.569 1.00 0.00 C ATOM 782 O GLN A 57 -6.877 18.954 -10.298 1.00 0.00 O ATOM 783 CB GLN A 57 -10.112 18.616 -10.250 1.00 0.00 C ATOM 784 CG GLN A 57 -10.047 19.250 -8.850 1.00 0.00 C ATOM 785 CD GLN A 57 -9.025 18.568 -7.940 1.00 0.00 C ATOM 786 OE1 GLN A 57 -8.019 19.162 -7.564 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.283 17.313 -7.573 1.00 0.00 N ATOM 0 H GLN A 57 -7.899 17.591 -11.974 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.531 20.003 -11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -11.108 18.778 -10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -9.979 17.538 -10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.795 20.306 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.032 19.198 -8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.129 16.849 -7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.635 16.817 -6.961 1.00 0.00 H new ATOM 796 N GLU A 58 -7.835 21.017 -10.297 1.00 0.00 N ATOM 797 CA GLU A 58 -6.759 21.749 -9.645 1.00 0.00 C ATOM 798 C GLU A 58 -7.060 21.975 -8.168 1.00 0.00 C ATOM 799 O GLU A 58 -8.219 22.116 -7.790 1.00 0.00 O ATOM 800 CB GLU A 58 -6.583 23.129 -10.285 1.00 0.00 C ATOM 801 CG GLU A 58 -6.358 23.066 -11.800 1.00 0.00 C ATOM 802 CD GLU A 58 -6.096 24.452 -12.382 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.069 25.048 -11.990 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.922 24.891 -13.211 1.00 0.00 O ATOM 0 H GLU A 58 -8.629 21.611 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.856 21.149 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.467 23.733 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.737 23.634 -9.819 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.513 22.413 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.232 22.627 -12.281 1.00 0.00 H new ATOM 811 N PHE A 59 -6.010 22.022 -7.339 1.00 0.00 N ATOM 812 CA PHE A 59 -6.114 22.259 -5.909 1.00 0.00 C ATOM 813 C PHE A 59 -4.753 22.768 -5.448 1.00 0.00 C ATOM 814 O PHE A 59 -3.747 22.116 -5.705 1.00 0.00 O ATOM 815 CB PHE A 59 -6.532 20.990 -5.178 1.00 0.00 C ATOM 816 CG PHE A 59 -6.798 21.236 -3.707 1.00 0.00 C ATOM 817 CD1 PHE A 59 -5.738 21.188 -2.788 1.00 0.00 C ATOM 818 CD2 PHE A 59 -8.103 21.524 -3.260 1.00 0.00 C ATOM 819 CE1 PHE A 59 -5.976 21.429 -1.427 1.00 0.00 C ATOM 820 CE2 PHE A 59 -8.342 21.759 -1.896 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.277 21.717 -0.978 1.00 0.00 C ATOM 0 H PHE A 59 -5.050 21.893 -7.658 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.883 22.998 -5.684 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.429 20.583 -5.644 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.750 20.238 -5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.738 20.965 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.919 21.564 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.158 21.393 -0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.343 21.972 -1.552 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.458 21.906 0.070 1.00 0.00 H new ATOM 831 N PRO A 60 -4.654 23.902 -4.749 1.00 0.00 N ATOM 832 CA PRO A 60 -3.361 24.416 -4.372 1.00 0.00 C ATOM 833 C PRO A 60 -2.742 23.634 -3.213 1.00 0.00 C ATOM 834 O PRO A 60 -3.468 23.158 -2.342 1.00 0.00 O ATOM 835 CB PRO A 60 -3.628 25.881 -4.101 1.00 0.00 C ATOM 836 CG PRO A 60 -5.003 25.848 -3.433 1.00 0.00 C ATOM 837 CD PRO A 60 -5.710 24.762 -4.248 1.00 0.00 C ATOM 0 HA PRO A 60 -2.598 24.302 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.871 26.318 -3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.637 26.469 -5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.940 25.592 -2.375 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.514 26.808 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.412 24.202 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.283 25.197 -5.067 1.00 0.00 H new ATOM 845 N ILE A 61 -1.406 23.509 -3.184 1.00 0.00 N ATOM 846 CA ILE A 61 -0.731 22.751 -2.133 1.00 0.00 C ATOM 847 C ILE A 61 -0.621 23.569 -0.864 1.00 0.00 C ATOM 848 O ILE A 61 -1.310 24.563 -0.636 1.00 0.00 O ATOM 849 CB ILE A 61 0.606 22.150 -2.649 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.601 21.199 -1.931 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.420 23.100 -3.504 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.918 20.011 -1.266 1.00 0.00 C ATOM 0 H ILE A 61 -0.780 23.923 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.336 21.887 -1.859 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.011 21.371 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.330 20.833 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.153 21.762 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.337 22.606 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.839 23.390 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.670 23.988 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.667 19.385 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.208 20.370 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.389 19.427 -2.019 1.00 0.00 H new ATOM 864 N LYS A 62 0.295 23.079 -0.057 1.00 0.00 N ATOM 865 CA LYS A 62 0.637 23.596 1.257 1.00 0.00 C ATOM 866 C LYS A 62 1.533 24.835 1.161 1.00 0.00 C ATOM 867 O LYS A 62 1.623 25.448 0.100 1.00 0.00 O ATOM 868 CB LYS A 62 1.215 22.461 2.124 1.00 0.00 C ATOM 869 CG LYS A 62 0.645 22.511 3.549 1.00 0.00 C ATOM 870 CD LYS A 62 1.428 21.587 4.486 1.00 0.00 C ATOM 871 CE LYS A 62 0.827 21.581 5.897 1.00 0.00 C ATOM 872 NZ LYS A 62 0.918 22.903 6.543 1.00 0.00 N ATOM 0 H LYS A 62 0.854 22.264 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.264 23.949 1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.983 21.498 1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.301 22.543 2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.684 23.534 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.404 22.216 3.535 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.427 20.574 4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.468 21.911 4.533 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.218 21.275 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.345 20.842 6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.626 22.824 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.899 23.246 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.293 23.573 6.051 1.00 0.00 H new ATOM 886 N SER A 63 2.167 25.177 2.287 1.00 0.00 N ATOM 887 CA SER A 63 3.053 26.305 2.572 1.00 0.00 C ATOM 888 C SER A 63 2.179 27.448 3.102 1.00 0.00 C ATOM 889 O SER A 63 2.388 28.618 2.784 1.00 0.00 O ATOM 890 CB SER A 63 4.009 26.700 1.430 1.00 0.00 C ATOM 891 OG SER A 63 3.401 27.458 0.404 1.00 0.00 O ATOM 0 H SER A 63 2.056 24.598 3.119 1.00 0.00 H new ATOM 0 HA SER A 63 3.771 26.007 3.336 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.838 27.272 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.432 25.794 0.996 1.00 0.00 H new ATOM 0 HG SER A 63 2.649 26.955 0.028 1.00 0.00 H new ATOM 897 N GLY A 64 1.197 27.072 3.933 1.00 0.00 N ATOM 898 CA GLY A 64 0.219 27.949 4.546 1.00 0.00 C ATOM 899 C GLY A 64 -0.893 27.087 5.146 1.00 0.00 C ATOM 900 O GLY A 64 -1.191 27.202 6.334 1.00 0.00 O ATOM 0 H GLY A 64 1.066 26.097 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.687 28.557 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.191 28.636 3.806 1.00 0.00 H new ATOM 904 N GLY A 65 -1.498 26.216 4.323 1.00 0.00 N ATOM 905 CA GLY A 65 -2.558 25.318 4.753 1.00 0.00 C ATOM 906 C GLY A 65 -3.293 24.684 3.570 1.00 0.00 C ATOM 907 O GLY A 65 -3.268 25.209 2.456 1.00 0.00 O ATOM 0 H GLY A 65 -1.257 26.122 3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.135 24.532 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.270 25.867 5.369 1.00 0.00 H new ATOM 911 N VAL A 66 -3.935 23.538 3.837 1.00 0.00 N ATOM 912 CA VAL A 66 -4.724 22.743 2.900 1.00 0.00 C ATOM 913 C VAL A 66 -6.082 22.539 3.584 1.00 0.00 C ATOM 914 O VAL A 66 -6.147 21.990 4.683 1.00 0.00 O ATOM 915 CB VAL A 66 -3.956 21.454 2.527 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.836 20.370 1.880 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.818 21.808 1.558 1.00 0.00 C ATOM 0 H VAL A 66 -3.913 23.122 4.768 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.897 23.224 1.937 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.578 21.039 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.226 19.497 1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.629 20.085 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.277 20.759 0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.273 20.903 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.234 22.260 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.139 22.513 2.037 1.00 0.00 H new ATOM 927 N TYR A 67 -7.152 23.001 2.918 1.00 0.00 N ATOM 928 CA TYR A 67 -8.547 22.979 3.349 1.00 0.00 C ATOM 929 C TYR A 67 -8.768 23.713 4.677 1.00 0.00 C ATOM 930 O TYR A 67 -9.494 23.243 5.548 1.00 0.00 O ATOM 931 CB TYR A 67 -9.214 21.593 3.249 1.00 0.00 C ATOM 932 CG TYR A 67 -8.716 20.469 4.150 1.00 0.00 C ATOM 933 CD1 TYR A 67 -9.219 20.291 5.455 1.00 0.00 C ATOM 934 CD2 TYR A 67 -7.741 19.580 3.666 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.733 19.255 6.270 1.00 0.00 C ATOM 936 CE2 TYR A 67 -7.255 18.541 4.479 1.00 0.00 C ATOM 937 CZ TYR A 67 -7.749 18.379 5.783 1.00 0.00 C ATOM 938 OH TYR A 67 -7.275 17.377 6.580 1.00 0.00 O ATOM 0 H TYR A 67 -7.051 23.430 1.998 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.096 23.568 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -10.278 21.725 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.118 21.255 2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.983 20.955 5.831 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.362 19.696 2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.116 19.132 7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.501 17.867 4.100 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.600 16.862 6.091 1.00 0.00 H new ATOM 948 N THR A 68 -8.148 24.888 4.834 1.00 0.00 N ATOM 949 CA THR A 68 -8.257 25.697 6.043 1.00 0.00 C ATOM 950 C THR A 68 -8.147 27.189 5.722 1.00 0.00 C ATOM 951 O THR A 68 -8.888 27.995 6.282 1.00 0.00 O ATOM 952 CB THR A 68 -7.264 25.217 7.109 1.00 0.00 C ATOM 953 OG1 THR A 68 -7.467 25.922 8.315 1.00 0.00 O ATOM 954 CG2 THR A 68 -5.822 25.392 6.652 1.00 0.00 C ATOM 0 H THR A 68 -7.553 25.303 4.117 1.00 0.00 H new ATOM 0 HA THR A 68 -9.250 25.562 6.473 1.00 0.00 H new ATOM 0 HB THR A 68 -7.443 24.154 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.829 25.607 8.989 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.148 25.041 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.656 24.814 5.743 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.629 26.446 6.452 1.00 0.00 H new ATOM 962 N GLY A 69 -7.230 27.551 4.818 1.00 0.00 N ATOM 963 CA GLY A 69 -7.008 28.921 4.391 1.00 0.00 C ATOM 964 C GLY A 69 -5.784 28.975 3.484 1.00 0.00 C ATOM 965 O GLY A 69 -4.848 29.728 3.750 1.00 0.00 O ATOM 0 H GLY A 69 -6.614 26.881 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.884 29.295 3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.861 29.565 5.258 1.00 0.00 H new ATOM 969 N GLY A 70 -5.799 28.168 2.415 1.00 0.00 N ATOM 970 CA GLY A 70 -4.720 28.081 1.448 1.00 0.00 C ATOM 971 C GLY A 70 -4.824 29.231 0.454 1.00 0.00 C ATOM 972 O GLY A 70 -5.437 29.083 -0.602 1.00 0.00 O ATOM 0 H GLY A 70 -6.581 27.549 2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.758 28.116 1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.767 27.128 0.922 1.00 0.00 H new ATOM 976 N SER A 71 -4.223 30.376 0.804 1.00 0.00 N ATOM 977 CA SER A 71 -4.209 31.573 -0.025 1.00 0.00 C ATOM 978 C SER A 71 -3.552 31.278 -1.378 1.00 0.00 C ATOM 979 O SER A 71 -2.579 30.526 -1.425 1.00 0.00 O ATOM 980 CB SER A 71 -3.438 32.684 0.698 1.00 0.00 C ATOM 981 OG SER A 71 -4.004 32.936 1.966 1.00 0.00 O ATOM 0 H SER A 71 -3.726 30.491 1.688 1.00 0.00 H new ATOM 0 HA SER A 71 -5.235 31.896 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.393 32.395 0.811 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.454 33.595 0.099 1.00 0.00 H new ATOM 0 HG SER A 71 -3.499 33.646 2.414 1.00 0.00 H new ATOM 987 N PRO A 72 -4.052 31.860 -2.480 1.00 0.00 N ATOM 988 CA PRO A 72 -3.453 31.701 -3.796 1.00 0.00 C ATOM 989 C PRO A 72 -2.162 32.519 -3.843 1.00 0.00 C ATOM 990 O PRO A 72 -2.120 33.624 -3.303 1.00 0.00 O ATOM 991 CB PRO A 72 -4.500 32.237 -4.777 1.00 0.00 C ATOM 992 CG PRO A 72 -5.229 33.307 -3.965 1.00 0.00 C ATOM 993 CD PRO A 72 -5.217 32.726 -2.549 1.00 0.00 C ATOM 0 HA PRO A 72 -3.193 30.671 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.037 32.656 -5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.179 31.452 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.718 34.268 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.244 33.468 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.159 33.518 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.131 32.167 -2.349 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.105 31.990 -4.471 1.00 0.00 N ATOM 1002 CA GLY A 73 0.157 32.674 -4.588 1.00 0.00 C ATOM 1003 C GLY A 73 0.769 32.173 -5.878 1.00 0.00 C ATOM 1004 O GLY A 73 0.989 32.962 -6.795 1.00 0.00 O ATOM 0 H GLY A 73 -1.117 31.069 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.017 33.755 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.802 32.456 -3.737 1.00 0.00 H new ATOM 1008 N ALA A 74 1.021 30.857 -5.944 1.00 0.00 N ATOM 1009 CA ALA A 74 1.631 30.264 -7.113 1.00 0.00 C ATOM 1010 C ALA A 74 1.603 28.735 -7.131 1.00 0.00 C ATOM 1011 O ALA A 74 1.098 28.165 -8.091 1.00 0.00 O ATOM 1012 CB ALA A 74 3.077 30.749 -7.136 1.00 0.00 C ATOM 0 H ALA A 74 0.807 30.196 -5.197 1.00 0.00 H new ATOM 0 HA ALA A 74 1.061 30.569 -7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.588 30.330 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.095 31.837 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.583 30.427 -6.226 1.00 0.00 H new ATOM 1018 N ASP A 75 2.143 28.088 -6.088 1.00 0.00 N ATOM 1019 CA ASP A 75 2.275 26.640 -5.919 1.00 0.00 C ATOM 1020 C ASP A 75 0.987 25.802 -5.846 1.00 0.00 C ATOM 1021 O ASP A 75 0.242 25.846 -4.862 1.00 0.00 O ATOM 1022 CB ASP A 75 3.189 26.359 -4.715 1.00 0.00 C ATOM 1023 CG ASP A 75 2.773 27.122 -3.455 1.00 0.00 C ATOM 1024 OD1 ASP A 75 1.915 26.595 -2.712 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.325 28.225 -3.253 1.00 0.00 O ATOM 0 H ASP A 75 2.523 28.598 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 75 2.712 26.297 -6.857 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.183 25.290 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.213 26.627 -4.974 1.00 0.00 H new ATOM 1030 N ARG A 76 0.741 25.011 -6.906 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.415 24.130 -7.008 1.00 0.00 C ATOM 1032 C ARG A 76 -0.020 22.711 -7.388 1.00 0.00 C ATOM 1033 O ARG A 76 1.014 22.477 -8.012 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.440 24.597 -8.068 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.517 26.095 -8.360 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.136 26.922 -7.238 1.00 0.00 C ATOM 1037 NE ARG A 76 -1.864 28.351 -7.440 1.00 0.00 N ATOM 1038 CZ ARG A 76 -2.607 29.365 -6.969 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.716 29.137 -6.248 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -2.231 30.625 -7.227 1.00 0.00 N ATOM 0 H ARG A 76 1.353 24.972 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.863 24.160 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.216 24.083 -9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.428 24.265 -7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.512 26.467 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.097 26.247 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.212 26.752 -7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.733 26.602 -6.277 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.038 28.594 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.007 28.180 -6.049 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.267 29.921 -5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.390 30.804 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.786 31.405 -6.875 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.879 21.771 -6.978 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.779 20.356 -7.269 1.00 0.00 C ATOM 1056 C VAL A 77 -2.082 20.085 -8.002 1.00 0.00 C ATOM 1057 O VAL A 77 -3.127 20.636 -7.670 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.560 19.458 -6.056 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.836 19.724 -5.478 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.633 19.612 -4.970 1.00 0.00 C ATOM 0 H VAL A 77 -1.695 21.997 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 77 0.110 20.118 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.640 18.427 -6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.998 19.085 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.590 19.508 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.913 20.769 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.409 18.942 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.644 20.642 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.609 19.362 -5.385 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.039 19.217 -9.000 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.209 18.959 -9.823 1.00 0.00 C ATOM 1072 C VAL A 78 -3.324 17.454 -10.058 1.00 0.00 C ATOM 1073 O VAL A 78 -2.324 16.792 -10.328 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.056 19.889 -11.047 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.124 19.699 -12.126 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.040 21.374 -10.587 1.00 0.00 C ATOM 0 H VAL A 78 -1.210 18.681 -9.259 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.176 19.199 -9.380 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.108 19.613 -11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.939 20.392 -12.947 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.086 18.676 -12.499 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.109 19.894 -11.701 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.932 22.023 -11.456 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.974 21.606 -10.075 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.203 21.535 -9.907 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.556 16.929 -9.937 1.00 0.00 N ATOM 1087 CA ILE A 79 -4.867 15.511 -10.071 1.00 0.00 C ATOM 1088 C ILE A 79 -5.890 15.208 -11.173 1.00 0.00 C ATOM 1089 O ILE A 79 -6.354 16.106 -11.875 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.318 14.969 -8.696 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.709 15.468 -8.269 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.325 15.335 -7.586 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.271 14.623 -7.122 1.00 0.00 C ATOM 0 H ILE A 79 -5.377 17.500 -9.738 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.961 14.996 -10.391 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.359 13.888 -8.828 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.645 16.511 -7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.389 15.430 -9.120 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.678 14.936 -6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.348 14.910 -7.817 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.242 16.420 -7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.255 14.999 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.357 13.585 -7.443 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.601 14.683 -6.264 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.236 13.916 -11.292 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.189 13.343 -12.236 1.00 0.00 C ATOM 1107 C ASN A 80 -8.610 13.545 -11.708 1.00 0.00 C ATOM 1108 O ASN A 80 -8.803 14.182 -10.674 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.895 11.842 -12.415 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.608 11.501 -13.172 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.287 10.325 -13.320 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.865 12.494 -13.667 1.00 0.00 N ATOM 0 H ASN A 80 -5.826 13.203 -10.688 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.095 13.839 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.847 11.380 -11.429 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.735 11.387 -12.940 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.010 12.283 -14.181 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.153 13.463 -13.531 1.00 0.00 H new ATOM 1119 N THR A 81 -9.609 12.988 -12.409 1.00 0.00 N ATOM 1120 CA THR A 81 -11.008 13.136 -12.033 1.00 0.00 C ATOM 1121 C THR A 81 -11.567 12.159 -11.009 1.00 0.00 C ATOM 1122 O THR A 81 -12.767 11.888 -11.004 1.00 0.00 O ATOM 1123 CB THR A 81 -11.884 13.326 -13.277 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.183 13.769 -12.939 1.00 0.00 O ATOM 1125 CG2 THR A 81 -11.950 12.017 -14.064 1.00 0.00 C ATOM 0 H THR A 81 -9.463 12.426 -13.248 1.00 0.00 H new ATOM 0 HA THR A 81 -11.041 14.054 -11.446 1.00 0.00 H new ATOM 0 HB THR A 81 -11.431 14.099 -13.898 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.489 13.301 -12.135 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.573 12.155 -14.948 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.945 11.726 -14.370 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.379 11.236 -13.436 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.711 11.639 -10.131 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.151 10.734 -9.095 1.00 0.00 C ATOM 1135 C ASN A 82 -10.225 10.894 -7.906 1.00 0.00 C ATOM 1136 O ASN A 82 -10.639 11.382 -6.856 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.152 9.279 -9.598 1.00 0.00 C ATOM 1138 CG ASN A 82 -12.278 8.994 -10.590 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.033 8.874 -11.789 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -13.513 8.884 -10.091 1.00 0.00 N ATOM 0 H ASN A 82 -9.710 11.835 -10.124 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.174 10.972 -8.805 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.194 9.063 -10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.246 8.605 -8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.299 8.693 -10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.670 8.991 -9.089 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.971 10.483 -8.105 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.961 10.503 -7.047 1.00 0.00 C ATOM 1149 C CYS A 83 -6.492 10.390 -7.464 1.00 0.00 C ATOM 1150 O CYS A 83 -5.616 10.684 -6.651 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.271 9.387 -6.032 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.966 9.794 -4.291 1.00 0.00 S ATOM 0 H CYS A 83 -8.629 10.129 -8.999 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.045 11.507 -6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -9.318 9.104 -6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.675 8.512 -6.290 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.205 9.986 -8.708 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.836 9.761 -9.162 1.00 0.00 C ATOM 1159 C GLU A 84 -4.089 11.045 -9.516 1.00 0.00 C ATOM 1160 O GLU A 84 -4.573 11.864 -10.287 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.875 8.771 -10.333 1.00 0.00 C ATOM 1162 CG GLU A 84 -3.492 8.496 -10.934 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.565 7.388 -11.981 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.483 6.211 -11.571 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -3.707 7.736 -13.173 1.00 0.00 O ATOM 0 H GLU A 84 -6.913 9.808 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.264 9.339 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.310 7.831 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.531 9.163 -11.110 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.101 9.406 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.798 8.210 -10.144 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.888 11.195 -8.940 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.021 12.346 -9.126 1.00 0.00 C ATOM 1174 C TYR A 85 -1.639 12.517 -10.603 1.00 0.00 C ATOM 1175 O TYR A 85 -1.311 11.533 -11.265 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.790 12.218 -8.206 1.00 0.00 C ATOM 1177 CG TYR A 85 -0.087 13.546 -8.037 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.767 14.012 -9.052 1.00 0.00 C ATOM 1179 CD2 TYR A 85 -0.292 14.327 -6.882 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.411 15.249 -8.914 1.00 0.00 C ATOM 1181 CE2 TYR A 85 0.335 15.571 -6.763 1.00 0.00 C ATOM 1182 CZ TYR A 85 1.183 16.032 -7.776 1.00 0.00 C ATOM 1183 OH TYR A 85 1.795 17.235 -7.647 1.00 0.00 O ATOM 0 H TYR A 85 -2.490 10.494 -8.316 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.556 13.253 -8.844 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.100 11.842 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.096 11.488 -8.623 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.927 13.416 -9.939 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.932 13.965 -6.091 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.082 15.598 -9.685 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.164 16.178 -5.886 1.00 0.00 H new ATOM 0 HH TYR A 85 1.231 17.933 -8.040 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.675 13.762 -11.111 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.365 14.097 -12.499 1.00 0.00 C ATOM 1195 C ALA A 86 -0.015 14.808 -12.629 1.00 0.00 C ATOM 1196 O ALA A 86 0.889 14.291 -13.284 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.496 14.942 -13.097 1.00 0.00 C ATOM 0 H ALA A 86 -1.927 14.576 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.284 13.167 -13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.258 15.188 -14.132 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.428 14.378 -13.063 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.607 15.861 -12.522 1.00 0.00 H new ATOM 1203 N GLY A 87 0.128 15.988 -12.010 1.00 0.00 N ATOM 1204 CA GLY A 87 1.348 16.783 -12.063 1.00 0.00 C ATOM 1205 C GLY A 87 1.232 18.027 -11.181 1.00 0.00 C ATOM 1206 O GLY A 87 0.151 18.336 -10.683 1.00 0.00 O ATOM 0 H GLY A 87 -0.612 16.416 -11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.194 16.179 -11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.548 17.080 -13.092 1.00 0.00 H new ATOM 1210 N ALA A 88 2.357 18.726 -10.985 1.00 0.00 N ATOM 1211 CA ALA A 88 2.456 19.950 -10.198 1.00 0.00 C ATOM 1212 C ALA A 88 2.967 21.090 -11.069 1.00 0.00 C ATOM 1213 O ALA A 88 3.788 20.877 -11.959 1.00 0.00 O ATOM 1214 CB ALA A 88 3.415 19.756 -9.026 1.00 0.00 C ATOM 0 H ALA A 88 3.251 18.441 -11.386 1.00 0.00 H new ATOM 0 HA ALA A 88 1.464 20.191 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.477 20.679 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.050 18.953 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.404 19.498 -9.404 1.00 0.00 H new ATOM 1220 N ILE A 89 2.480 22.304 -10.791 1.00 0.00 N ATOM 1221 CA ILE A 89 2.852 23.520 -11.499 1.00 0.00 C ATOM 1222 C ILE A 89 2.885 24.686 -10.501 1.00 0.00 C ATOM 1223 O ILE A 89 2.316 24.577 -9.415 1.00 0.00 O ATOM 1224 CB ILE A 89 1.915 23.774 -12.697 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.454 24.066 -12.314 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.993 22.653 -13.745 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.454 22.847 -12.202 1.00 0.00 C ATOM 0 H ILE A 89 1.800 22.465 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 89 3.850 23.415 -11.925 1.00 0.00 H new ATOM 0 HB ILE A 89 2.295 24.692 -13.145 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.446 24.592 -11.359 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.032 24.744 -13.055 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.315 22.877 -14.569 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.012 22.579 -14.123 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.706 21.706 -13.287 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.459 23.166 -11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.487 22.328 -13.160 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.066 22.173 -11.438 1.00 0.00 H new ATOM 1239 N THR A 90 3.535 25.806 -10.852 1.00 0.00 N ATOM 1240 CA THR A 90 3.633 26.950 -9.953 1.00 0.00 C ATOM 1241 C THR A 90 3.948 28.283 -10.638 1.00 0.00 C ATOM 1242 O THR A 90 4.702 28.306 -11.609 1.00 0.00 O ATOM 1243 CB THR A 90 4.749 26.667 -8.925 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.894 27.758 -8.039 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.111 26.381 -9.583 1.00 0.00 C ATOM 0 H THR A 90 3.997 25.937 -11.752 1.00 0.00 H new ATOM 0 HA THR A 90 2.649 27.061 -9.499 1.00 0.00 H new ATOM 0 HB THR A 90 4.442 25.773 -8.383 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.604 27.562 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.855 26.190 -8.810 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.026 25.508 -10.230 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.417 27.243 -10.176 1.00 0.00 H new ATOM 1253 N HIS A 91 3.357 29.390 -10.148 1.00 0.00 N ATOM 1254 CA HIS A 91 3.673 30.736 -10.653 1.00 0.00 C ATOM 1255 C HIS A 91 4.963 31.247 -9.971 1.00 0.00 C ATOM 1256 O HIS A 91 5.033 32.419 -9.601 1.00 0.00 O ATOM 1257 CB HIS A 91 2.591 31.819 -10.426 1.00 0.00 C ATOM 1258 CG HIS A 91 1.216 31.594 -10.970 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.391 32.627 -11.395 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.493 30.456 -11.158 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.761 32.067 -11.804 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.759 30.743 -11.682 1.00 0.00 N ATOM 0 H HIS A 91 2.659 29.376 -9.404 1.00 0.00 H new ATOM 0 HA HIS A 91 3.765 30.602 -11.731 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.499 31.972 -9.351 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.964 32.751 -10.850 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.847 29.462 -10.930 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.597 32.631 -12.190 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.505 30.089 -11.919 1.00 0.00 H new ATOM 1270 N THR A 92 5.987 30.400 -9.779 1.00 0.00 N ATOM 1271 CA THR A 92 7.233 30.785 -9.116 1.00 0.00 C ATOM 1272 C THR A 92 7.915 31.995 -9.766 1.00 0.00 C ATOM 1273 O THR A 92 8.573 32.776 -9.082 1.00 0.00 O ATOM 1274 CB THR A 92 8.169 29.582 -8.957 1.00 0.00 C ATOM 1275 OG1 THR A 92 9.247 29.921 -8.111 1.00 0.00 O ATOM 1276 CG2 THR A 92 8.707 29.120 -10.305 1.00 0.00 C ATOM 0 H THR A 92 5.969 29.426 -10.082 1.00 0.00 H new ATOM 0 HA THR A 92 6.969 31.121 -8.113 1.00 0.00 H new ATOM 0 HB THR A 92 7.597 28.766 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.091 29.667 -8.539 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.368 28.265 -10.160 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.876 28.831 -10.949 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.263 29.933 -10.773 1.00 0.00 H new ATOM 1284 N GLY A 93 7.748 32.142 -11.084 1.00 0.00 N ATOM 1285 CA GLY A 93 8.292 33.228 -11.874 1.00 0.00 C ATOM 1286 C GLY A 93 7.475 33.285 -13.156 1.00 0.00 C ATOM 1287 O GLY A 93 6.701 34.222 -13.359 1.00 0.00 O ATOM 0 H GLY A 93 7.209 31.479 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.228 34.171 -11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.346 33.057 -12.094 1.00 0.00 H new ATOM 1291 N ALA A 94 7.657 32.261 -13.999 1.00 0.00 N ATOM 1292 CA ALA A 94 6.974 32.081 -15.270 1.00 0.00 C ATOM 1293 C ALA A 94 7.056 33.343 -16.137 1.00 0.00 C ATOM 1294 O ALA A 94 8.138 33.689 -16.607 1.00 0.00 O ATOM 1295 CB ALA A 94 5.546 31.585 -15.003 1.00 0.00 C ATOM 0 H ALA A 94 8.314 31.507 -13.798 1.00 0.00 H new ATOM 0 HA ALA A 94 7.474 31.315 -15.863 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.026 31.447 -15.951 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.584 30.636 -14.469 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.013 32.320 -14.400 1.00 0.00 H new ATOM 1301 N SER A 95 5.921 34.020 -16.344 1.00 0.00 N ATOM 1302 CA SER A 95 5.798 35.241 -17.121 1.00 0.00 C ATOM 1303 C SER A 95 4.537 35.958 -16.638 1.00 0.00 C ATOM 1304 O SER A 95 3.495 35.911 -17.293 1.00 0.00 O ATOM 1305 CB SER A 95 5.736 34.923 -18.623 1.00 0.00 C ATOM 1306 OG SER A 95 6.981 34.460 -19.100 1.00 0.00 O ATOM 0 H SER A 95 5.030 33.712 -15.955 1.00 0.00 H new ATOM 0 HA SER A 95 6.666 35.885 -16.980 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.971 34.169 -18.806 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.442 35.816 -19.174 1.00 0.00 H new ATOM 0 HG SER A 95 7.577 34.283 -18.342 1.00 0.00 H new ATOM 1312 N GLY A 96 4.642 36.614 -15.476 1.00 0.00 N ATOM 1313 CA GLY A 96 3.555 37.359 -14.866 1.00 0.00 C ATOM 1314 C GLY A 96 2.610 36.414 -14.128 1.00 0.00 C ATOM 1315 O GLY A 96 2.950 35.919 -13.054 1.00 0.00 O ATOM 0 H GLY A 96 5.504 36.637 -14.931 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.956 38.097 -14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.006 37.907 -15.632 1.00 0.00 H new ATOM 1319 N ASN A 97 1.433 36.163 -14.714 1.00 0.00 N ATOM 1320 CA ASN A 97 0.401 35.298 -14.151 1.00 0.00 C ATOM 1321 C ASN A 97 0.398 33.919 -14.819 1.00 0.00 C ATOM 1322 O ASN A 97 -0.617 33.226 -14.789 1.00 0.00 O ATOM 1323 CB ASN A 97 -0.964 35.986 -14.300 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.978 37.366 -13.644 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.013 38.382 -14.333 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -0.948 37.401 -12.309 1.00 0.00 N ATOM 0 H ASN A 97 1.170 36.567 -15.613 1.00 0.00 H new ATOM 0 HA ASN A 97 0.612 35.136 -13.094 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.208 36.084 -15.358 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.737 35.362 -13.851 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.954 38.297 -11.822 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.919 36.531 -11.777 1.00 0.00 H new ATOM 1333 N ASN A 98 1.527 33.515 -15.415 1.00 0.00 N ATOM 1334 CA ASN A 98 1.669 32.226 -16.079 1.00 0.00 C ATOM 1335 C ASN A 98 2.159 31.174 -15.080 1.00 0.00 C ATOM 1336 O ASN A 98 2.411 31.475 -13.914 1.00 0.00 O ATOM 1337 CB ASN A 98 2.607 32.367 -17.289 1.00 0.00 C ATOM 1338 CG ASN A 98 2.008 33.206 -18.421 1.00 0.00 C ATOM 1339 OD1 ASN A 98 1.062 33.966 -18.221 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.565 33.062 -19.627 1.00 0.00 N ATOM 0 H ASN A 98 2.373 34.084 -15.447 1.00 0.00 H new ATOM 0 HA ASN A 98 0.702 31.890 -16.452 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.543 32.822 -16.964 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.850 31.375 -17.670 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.207 33.593 -20.421 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.349 32.422 -19.754 1.00 0.00 H new ATOM 1347 N PHE A 99 2.279 29.930 -15.559 1.00 0.00 N ATOM 1348 CA PHE A 99 2.706 28.762 -14.805 1.00 0.00 C ATOM 1349 C PHE A 99 3.944 28.126 -15.439 1.00 0.00 C ATOM 1350 O PHE A 99 4.232 28.338 -16.617 1.00 0.00 O ATOM 1351 CB PHE A 99 1.590 27.700 -14.916 1.00 0.00 C ATOM 1352 CG PHE A 99 0.567 27.731 -13.813 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.954 27.265 -12.552 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.742 28.198 -14.024 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.052 27.281 -11.484 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.653 28.217 -12.951 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.247 27.770 -11.681 1.00 0.00 C ATOM 0 H PHE A 99 2.069 29.708 -16.532 1.00 0.00 H new ATOM 0 HA PHE A 99 2.917 29.068 -13.780 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.078 27.832 -15.869 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.051 26.712 -14.936 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.956 26.891 -12.403 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.047 28.540 -15.002 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.354 26.919 -10.513 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.661 28.574 -13.103 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.940 27.804 -10.853 1.00 0.00 H new ATOM 1367 N VAL A 100 4.669 27.350 -14.625 1.00 0.00 N ATOM 1368 CA VAL A 100 5.848 26.583 -15.007 1.00 0.00 C ATOM 1369 C VAL A 100 5.763 25.262 -14.249 1.00 0.00 C ATOM 1370 O VAL A 100 5.096 25.158 -13.222 1.00 0.00 O ATOM 1371 CB VAL A 100 7.199 27.278 -14.785 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.412 28.418 -15.780 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.393 27.736 -13.344 1.00 0.00 C ATOM 0 H VAL A 100 4.435 27.238 -13.639 1.00 0.00 H new ATOM 0 HA VAL A 100 5.830 26.448 -16.088 1.00 0.00 H new ATOM 0 HB VAL A 100 7.970 26.531 -14.973 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.378 28.888 -15.594 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.390 28.023 -16.796 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.620 29.158 -15.661 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.364 28.221 -13.244 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.606 28.442 -13.077 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.347 26.874 -12.679 1.00 0.00 H new ATOM 1383 N GLY A 101 6.460 24.258 -14.770 1.00 0.00 N ATOM 1384 CA GLY A 101 6.481 22.918 -14.216 1.00 0.00 C ATOM 1385 C GLY A 101 7.318 22.791 -12.946 1.00 0.00 C ATOM 1386 O GLY A 101 8.320 23.484 -12.777 1.00 0.00 O ATOM 0 H GLY A 101 7.036 24.360 -15.606 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.459 22.608 -13.999 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.870 22.230 -14.967 1.00 0.00 H new ATOM 1390 N CYS A 102 6.874 21.899 -12.052 1.00 0.00 N ATOM 1391 CA CYS A 102 7.517 21.576 -10.786 1.00 0.00 C ATOM 1392 C CYS A 102 8.504 20.433 -11.055 1.00 0.00 C ATOM 1393 O CYS A 102 8.811 20.125 -12.208 1.00 0.00 O ATOM 1394 CB CYS A 102 6.429 21.154 -9.786 1.00 0.00 C ATOM 1395 SG CYS A 102 6.656 21.543 -8.026 1.00 0.00 S ATOM 0 H CYS A 102 6.020 21.363 -12.204 1.00 0.00 H new ATOM 0 HA CYS A 102 8.056 22.426 -10.366 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.492 21.610 -10.106 1.00 0.00 H new ATOM 0 HB3 CYS A 102 6.304 20.075 -9.871 1.00 0.00 H new ATOM 1400 N SER A 103 9.013 19.804 -9.992 1.00 0.00 N ATOM 1401 CA SER A 103 9.942 18.687 -10.107 1.00 0.00 C ATOM 1402 C SER A 103 9.275 17.494 -10.795 1.00 0.00 C ATOM 1403 O SER A 103 8.257 16.990 -10.321 1.00 0.00 O ATOM 1404 CB SER A 103 10.452 18.284 -8.725 1.00 0.00 C ATOM 1405 OG SER A 103 11.217 19.342 -8.202 1.00 0.00 O ATOM 0 H SER A 103 8.790 20.058 -9.030 1.00 0.00 H new ATOM 0 HA SER A 103 10.787 19.004 -10.718 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.615 18.060 -8.064 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.055 17.379 -8.794 1.00 0.00 H new ATOM 0 HG SER A 103 10.677 20.160 -8.187 1.00 0.00 H new ATOM 1411 N GLY A 104 9.859 17.061 -11.920 1.00 0.00 N ATOM 1412 CA GLY A 104 9.388 15.934 -12.708 1.00 0.00 C ATOM 1413 C GLY A 104 8.240 16.280 -13.663 1.00 0.00 C ATOM 1414 O GLY A 104 7.656 15.369 -14.246 1.00 0.00 O ATOM 0 H GLY A 104 10.692 17.501 -12.310 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.221 15.535 -13.287 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.060 15.143 -12.033 1.00 0.00 H new ATOM 1418 N THR A 105 7.910 17.570 -13.824 1.00 0.00 N ATOM 1419 CA THR A 105 6.850 18.024 -14.716 1.00 0.00 C ATOM 1420 C THR A 105 7.453 18.335 -16.088 1.00 0.00 C ATOM 1421 O THR A 105 8.518 18.945 -16.164 1.00 0.00 O ATOM 1422 CB THR A 105 6.175 19.272 -14.134 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.835 19.061 -12.781 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.913 19.633 -14.924 1.00 0.00 C ATOM 0 H THR A 105 8.380 18.329 -13.331 1.00 0.00 H new ATOM 0 HA THR A 105 6.097 17.243 -14.821 1.00 0.00 H new ATOM 0 HB THR A 105 6.883 20.097 -14.206 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.090 19.649 -12.535 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.454 20.521 -14.490 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.178 19.832 -15.962 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.208 18.803 -14.882 1.00 0.00 H new ATOM 1432 N ASN A 106 6.759 17.924 -17.159 1.00 0.00 N ATOM 1433 CA ASN A 106 7.156 18.135 -18.546 1.00 0.00 C ATOM 1434 C ASN A 106 8.509 17.476 -18.834 1.00 0.00 C ATOM 1435 O ASN A 106 8.528 16.227 -18.848 1.00 0.00 O ATOM 1436 CB ASN A 106 7.095 19.634 -18.895 1.00 0.00 C ATOM 1437 CG ASN A 106 7.191 19.882 -20.399 1.00 0.00 C ATOM 1438 OD1 ASN A 106 6.170 20.014 -21.073 1.00 0.00 O ATOM 1439 ND2 ASN A 106 8.414 19.957 -20.930 1.00 0.00 N ATOM 1440 OXT ASN A 106 9.523 18.208 -18.837 1.00 0.00 O ATOM 0 H ASN A 106 5.877 17.419 -17.073 1.00 0.00 H new ATOM 0 HA ASN A 106 6.448 17.641 -19.211 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.163 20.055 -18.518 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.908 20.156 -18.390 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.527 20.129 -21.929 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.236 19.842 -20.337 1.00 0.00 H new