USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1017 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 102 THR OG1 : rot 180:sc= 0.262 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.218 K(o=0.42,f=-5.2!) USER MOD Set 1.3: A 113 MET CE :methyl 180:sc= -0.0615 (180deg=0) USER MOD Set 2.1: A 81 THR OG1 : rot 146:sc= 1.2 USER MOD Set 2.2: A 93 THR OG1 : rot 76:sc= 0.0461 USER MOD Set 3.1: A 19 MET CE :methyl 163:sc= -0.0123 (180deg=-0.605) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 3.3: A 74 MET CE :methyl 180:sc=-0.00383 (180deg=0) USER MOD Set 4.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0.39) USER MOD Set 4.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 29:sc= 0.00428 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.7) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.58) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 137:sc= 0.237 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0197 K(o=-0.02,f=-4!) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.0775 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 89 ASN : amide:sc= 0.00788 X(o=0.0079,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0818) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 170:sc= -0.105 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 9.930 -10.255 12.986 1.00 0.00 N ATOM 2 CA SER A 2 9.208 -10.508 14.241 1.00 0.00 C ATOM 3 C SER A 2 8.649 -9.176 14.801 1.00 0.00 C ATOM 4 O SER A 2 9.405 -8.257 15.137 1.00 0.00 O ATOM 5 CB SER A 2 10.116 -11.213 15.273 1.00 0.00 C ATOM 6 OG SER A 2 10.491 -12.513 14.828 1.00 0.00 O ATOM 0 HA SER A 2 8.372 -11.178 14.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.010 -10.613 15.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.595 -11.289 16.227 1.00 0.00 H new ATOM 0 HG SER A 2 10.511 -12.530 13.848 1.00 0.00 H new ATOM 12 N PHE A 3 7.313 -9.102 14.924 1.00 0.00 N ATOM 13 CA PHE A 3 6.598 -7.896 15.441 1.00 0.00 C ATOM 14 C PHE A 3 6.743 -7.545 16.954 1.00 0.00 C ATOM 15 O PHE A 3 6.317 -6.447 17.322 1.00 0.00 O ATOM 16 CB PHE A 3 5.085 -8.022 15.093 1.00 0.00 C ATOM 17 CG PHE A 3 4.712 -7.683 13.643 1.00 0.00 C ATOM 18 CD1 PHE A 3 4.540 -6.346 13.265 1.00 0.00 C ATOM 19 CD2 PHE A 3 4.520 -8.694 12.697 1.00 0.00 C ATOM 20 CE1 PHE A 3 4.178 -6.025 11.961 1.00 0.00 C ATOM 21 CE2 PHE A 3 4.172 -8.369 11.391 1.00 0.00 C ATOM 22 CZ PHE A 3 4.006 -7.036 11.023 1.00 0.00 C ATOM 0 H PHE A 3 6.689 -9.868 14.672 1.00 0.00 H new ATOM 0 HA PHE A 3 7.098 -7.067 14.940 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.765 -9.043 15.303 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.521 -7.368 15.758 1.00 0.00 H new ATOM 0 HD1 PHE A 3 4.689 -5.560 13.990 1.00 0.00 H new ATOM 0 HD2 PHE A 3 4.642 -9.729 12.981 1.00 0.00 H new ATOM 0 HE1 PHE A 3 4.031 -4.993 11.678 1.00 0.00 H new ATOM 0 HE2 PHE A 3 4.030 -9.152 10.660 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.743 -6.787 10.006 1.00 0.00 H new ATOM 32 N SER A 4 7.312 -8.399 17.831 1.00 0.00 N ATOM 33 CA SER A 4 7.401 -8.107 19.284 1.00 0.00 C ATOM 34 C SER A 4 8.504 -7.047 19.592 1.00 0.00 C ATOM 35 O SER A 4 9.693 -7.264 19.329 1.00 0.00 O ATOM 36 CB SER A 4 7.612 -9.431 20.050 1.00 0.00 C ATOM 37 OG SER A 4 7.545 -9.217 21.456 1.00 0.00 O ATOM 0 H SER A 4 7.717 -9.296 17.562 1.00 0.00 H new ATOM 0 HA SER A 4 6.467 -7.660 19.624 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.853 -10.154 19.751 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.580 -9.858 19.788 1.00 0.00 H new ATOM 0 HG SER A 4 7.679 -10.068 21.923 1.00 0.00 H new ATOM 43 N GLY A 5 8.069 -5.895 20.125 1.00 0.00 N ATOM 44 CA GLY A 5 8.942 -4.730 20.360 1.00 0.00 C ATOM 45 C GLY A 5 8.166 -3.454 20.758 1.00 0.00 C ATOM 46 O GLY A 5 6.976 -3.292 20.462 1.00 0.00 O ATOM 0 H GLY A 5 7.100 -5.743 20.406 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.656 -4.973 21.147 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.519 -4.529 19.457 1.00 0.00 H new ATOM 50 N LYS A 6 8.891 -2.518 21.395 1.00 0.00 N ATOM 51 CA LYS A 6 8.371 -1.165 21.722 1.00 0.00 C ATOM 52 C LYS A 6 8.799 -0.192 20.593 1.00 0.00 C ATOM 53 O LYS A 6 9.994 0.086 20.433 1.00 0.00 O ATOM 54 CB LYS A 6 8.923 -0.737 23.108 1.00 0.00 C ATOM 55 CG LYS A 6 8.283 0.555 23.666 1.00 0.00 C ATOM 56 CD LYS A 6 8.928 1.106 24.955 1.00 0.00 C ATOM 57 CE LYS A 6 8.724 0.231 26.207 1.00 0.00 C ATOM 58 NZ LYS A 6 9.347 0.838 27.397 1.00 0.00 N ATOM 0 H LYS A 6 9.852 -2.671 21.700 1.00 0.00 H new ATOM 0 HA LYS A 6 7.283 -1.157 21.783 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.761 -1.547 23.819 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.001 -0.593 23.030 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.331 1.326 22.897 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.228 0.364 23.860 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.998 1.228 24.785 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.521 2.098 25.152 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.658 0.091 26.385 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.151 -0.757 26.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.191 0.224 28.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.368 0.949 27.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.921 1.770 27.574 1.00 0.00 H new ATOM 72 N TYR A 7 7.818 0.312 19.822 1.00 0.00 N ATOM 73 CA TYR A 7 8.093 1.146 18.620 1.00 0.00 C ATOM 74 C TYR A 7 7.596 2.586 18.909 1.00 0.00 C ATOM 75 O TYR A 7 6.389 2.842 18.982 1.00 0.00 O ATOM 76 CB TYR A 7 7.501 0.562 17.301 1.00 0.00 C ATOM 77 CG TYR A 7 7.832 -0.912 16.992 1.00 0.00 C ATOM 78 CD1 TYR A 7 8.984 -1.255 16.281 1.00 0.00 C ATOM 79 CD2 TYR A 7 6.971 -1.925 17.430 1.00 0.00 C ATOM 80 CE1 TYR A 7 9.278 -2.591 16.014 1.00 0.00 C ATOM 81 CE2 TYR A 7 7.269 -3.258 17.170 1.00 0.00 C ATOM 82 CZ TYR A 7 8.422 -3.594 16.467 1.00 0.00 C ATOM 83 OH TYR A 7 8.721 -4.909 16.221 1.00 0.00 O ATOM 0 H TYR A 7 6.826 0.161 20.003 1.00 0.00 H new ATOM 0 HA TYR A 7 9.168 1.153 18.440 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.417 0.668 17.337 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.853 1.172 16.469 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.652 -0.480 15.936 1.00 0.00 H new ATOM 0 HD2 TYR A 7 6.072 -1.670 17.972 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.167 -2.849 15.457 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.603 -4.035 17.515 1.00 0.00 H new ATOM 0 HH TYR A 7 8.658 -5.420 17.055 1.00 0.00 H new ATOM 93 N GLN A 8 8.553 3.520 19.058 1.00 0.00 N ATOM 94 CA GLN A 8 8.274 4.967 19.236 1.00 0.00 C ATOM 95 C GLN A 8 7.908 5.593 17.864 1.00 0.00 C ATOM 96 O GLN A 8 8.695 5.533 16.914 1.00 0.00 O ATOM 97 CB GLN A 8 9.535 5.631 19.865 1.00 0.00 C ATOM 98 CG GLN A 8 9.489 7.158 20.126 1.00 0.00 C ATOM 99 CD GLN A 8 8.458 7.615 21.170 1.00 0.00 C ATOM 100 OE1 GLN A 8 8.641 7.428 22.372 1.00 0.00 O ATOM 101 NE2 GLN A 8 7.361 8.222 20.740 1.00 0.00 N ATOM 0 H GLN A 8 9.548 3.297 19.059 1.00 0.00 H new ATOM 0 HA GLN A 8 7.427 5.128 19.903 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.738 5.134 20.814 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.383 5.428 19.211 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.478 7.485 20.449 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.277 7.665 19.184 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.219 8.372 19.741 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.658 8.539 21.408 1.00 0.00 H new ATOM 110 N LEU A 9 6.710 6.193 17.784 1.00 0.00 N ATOM 111 CA LEU A 9 6.201 6.809 16.532 1.00 0.00 C ATOM 112 C LEU A 9 6.892 8.172 16.247 1.00 0.00 C ATOM 113 O LEU A 9 7.054 9.004 17.145 1.00 0.00 O ATOM 114 CB LEU A 9 4.655 6.916 16.640 1.00 0.00 C ATOM 115 CG LEU A 9 3.872 7.348 15.371 1.00 0.00 C ATOM 116 CD1 LEU A 9 4.070 6.370 14.200 1.00 0.00 C ATOM 117 CD2 LEU A 9 2.369 7.495 15.675 1.00 0.00 C ATOM 0 H LEU A 9 6.067 6.269 18.572 1.00 0.00 H new ATOM 0 HA LEU A 9 6.446 6.184 15.673 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.273 5.945 16.956 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.422 7.624 17.435 1.00 0.00 H new ATOM 0 HG LEU A 9 4.277 8.315 15.071 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.502 6.716 13.337 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.128 6.320 13.942 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.720 5.379 14.490 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.843 7.798 14.770 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.973 6.541 16.022 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.226 8.250 16.448 1.00 0.00 H new ATOM 129 N GLN A 10 7.291 8.364 14.978 1.00 0.00 N ATOM 130 CA GLN A 10 7.872 9.641 14.489 1.00 0.00 C ATOM 131 C GLN A 10 6.855 10.304 13.524 1.00 0.00 C ATOM 132 O GLN A 10 6.302 11.344 13.894 1.00 0.00 O ATOM 133 CB GLN A 10 9.292 9.473 13.877 1.00 0.00 C ATOM 134 CG GLN A 10 10.449 9.226 14.877 1.00 0.00 C ATOM 135 CD GLN A 10 10.614 7.784 15.391 1.00 0.00 C ATOM 136 OE1 GLN A 10 10.189 6.814 14.764 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.266 7.618 16.532 1.00 0.00 N ATOM 0 H GLN A 10 7.223 7.644 14.258 1.00 0.00 H new ATOM 0 HA GLN A 10 8.037 10.307 15.336 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.265 8.640 13.174 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.524 10.369 13.301 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.382 9.528 14.401 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.303 9.880 15.736 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.614 8.429 17.043 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.420 6.679 16.899 1.00 0.00 H new ATOM 146 N SER A 11 6.591 9.739 12.320 1.00 0.00 N ATOM 147 CA SER A 11 5.652 10.359 11.350 1.00 0.00 C ATOM 148 C SER A 11 4.197 9.861 11.549 1.00 0.00 C ATOM 149 O SER A 11 3.942 8.731 11.975 1.00 0.00 O ATOM 150 CB SER A 11 6.105 10.071 9.906 1.00 0.00 C ATOM 151 OG SER A 11 7.427 10.531 9.652 1.00 0.00 O ATOM 0 H SER A 11 7.009 8.866 11.999 1.00 0.00 H new ATOM 0 HA SER A 11 5.666 11.434 11.531 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.054 8.998 9.719 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.416 10.549 9.210 1.00 0.00 H new ATOM 0 HG SER A 11 7.672 10.326 8.726 1.00 0.00 H new ATOM 157 N GLN A 12 3.249 10.731 11.177 1.00 0.00 N ATOM 158 CA GLN A 12 1.815 10.370 11.044 1.00 0.00 C ATOM 159 C GLN A 12 1.249 11.276 9.916 1.00 0.00 C ATOM 160 O GLN A 12 0.714 12.362 10.160 1.00 0.00 O ATOM 161 CB GLN A 12 1.021 10.420 12.383 1.00 0.00 C ATOM 162 CG GLN A 12 1.280 11.630 13.315 1.00 0.00 C ATOM 163 CD GLN A 12 0.485 11.656 14.627 1.00 0.00 C ATOM 164 OE1 GLN A 12 -0.303 12.566 14.862 1.00 0.00 O ATOM 165 NE2 GLN A 12 0.679 10.698 15.517 1.00 0.00 N ATOM 0 H GLN A 12 3.446 11.708 10.958 1.00 0.00 H new ATOM 0 HA GLN A 12 1.703 9.321 10.771 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.043 10.398 12.146 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.242 9.510 12.941 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.342 11.655 13.557 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.058 12.543 12.762 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.335 9.943 15.318 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.173 10.714 16.402 1.00 0.00 H new ATOM 174 N GLU A 13 1.421 10.810 8.665 1.00 0.00 N ATOM 175 CA GLU A 13 1.117 11.595 7.439 1.00 0.00 C ATOM 176 C GLU A 13 -0.403 11.513 7.157 1.00 0.00 C ATOM 177 O GLU A 13 -0.953 10.414 7.088 1.00 0.00 O ATOM 178 CB GLU A 13 1.938 11.027 6.248 1.00 0.00 C ATOM 179 CG GLU A 13 3.468 11.236 6.350 1.00 0.00 C ATOM 180 CD GLU A 13 4.263 10.373 5.368 1.00 0.00 C ATOM 181 OE1 GLU A 13 4.375 10.748 4.179 1.00 0.00 O ATOM 182 OE2 GLU A 13 4.782 9.312 5.783 1.00 0.00 O ATOM 0 H GLU A 13 1.776 9.874 8.468 1.00 0.00 H new ATOM 0 HA GLU A 13 1.392 12.641 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.737 9.959 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.584 11.491 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.697 12.286 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.792 11.010 7.366 1.00 0.00 H new ATOM 189 N ASN A 14 -1.076 12.674 7.047 1.00 0.00 N ATOM 190 CA ASN A 14 -2.571 12.771 6.990 1.00 0.00 C ATOM 191 C ASN A 14 -3.309 12.380 8.320 1.00 0.00 C ATOM 192 O ASN A 14 -4.361 11.734 8.272 1.00 0.00 O ATOM 193 CB ASN A 14 -3.191 12.098 5.716 1.00 0.00 C ATOM 194 CG ASN A 14 -2.822 12.696 4.342 1.00 0.00 C ATOM 195 OD1 ASN A 14 -2.392 13.842 4.214 1.00 0.00 O ATOM 196 ND2 ASN A 14 -3.018 11.934 3.278 1.00 0.00 N ATOM 0 H ASN A 14 -0.610 13.580 6.994 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.761 13.839 6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.899 11.048 5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.276 12.127 5.815 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.813 12.296 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.375 10.985 3.389 1.00 0.00 H new ATOM 203 N PHE A 15 -2.816 12.809 9.507 1.00 0.00 N ATOM 204 CA PHE A 15 -3.522 12.583 10.805 1.00 0.00 C ATOM 205 C PHE A 15 -4.822 13.432 10.972 1.00 0.00 C ATOM 206 O PHE A 15 -5.826 12.873 11.414 1.00 0.00 O ATOM 207 CB PHE A 15 -2.537 12.720 12.003 1.00 0.00 C ATOM 208 CG PHE A 15 -3.062 12.191 13.356 1.00 0.00 C ATOM 209 CD1 PHE A 15 -2.845 10.859 13.730 1.00 0.00 C ATOM 210 CD2 PHE A 15 -3.724 13.049 14.245 1.00 0.00 C ATOM 211 CE1 PHE A 15 -3.265 10.397 14.974 1.00 0.00 C ATOM 212 CE2 PHE A 15 -4.155 12.579 15.483 1.00 0.00 C ATOM 213 CZ PHE A 15 -3.920 11.257 15.850 1.00 0.00 C ATOM 0 H PHE A 15 -1.934 13.313 9.599 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.880 11.554 10.794 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.617 12.190 11.757 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.277 13.772 12.120 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.348 10.185 13.048 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -3.900 14.078 13.969 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.083 9.371 15.259 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.673 13.242 16.160 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.246 10.899 16.815 1.00 0.00 H new ATOM 223 N GLU A 16 -4.834 14.733 10.612 1.00 0.00 N ATOM 224 CA GLU A 16 -6.083 15.553 10.585 1.00 0.00 C ATOM 225 C GLU A 16 -7.146 15.048 9.558 1.00 0.00 C ATOM 226 O GLU A 16 -8.274 14.772 9.965 1.00 0.00 O ATOM 227 CB GLU A 16 -5.784 17.064 10.390 1.00 0.00 C ATOM 228 CG GLU A 16 -5.033 17.746 11.554 1.00 0.00 C ATOM 229 CD GLU A 16 -4.850 19.247 11.324 1.00 0.00 C ATOM 230 OE1 GLU A 16 -5.734 20.034 11.728 1.00 0.00 O ATOM 231 OE2 GLU A 16 -3.822 19.648 10.735 1.00 0.00 O ATOM 0 H GLU A 16 -3.997 15.246 10.335 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.531 15.423 11.570 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.197 17.186 9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.728 17.586 10.233 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.583 17.587 12.482 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.057 17.278 11.678 1.00 0.00 H new ATOM 238 N ALA A 17 -6.779 14.906 8.267 1.00 0.00 N ATOM 239 CA ALA A 17 -7.686 14.436 7.182 1.00 0.00 C ATOM 240 C ALA A 17 -8.286 13.006 7.328 1.00 0.00 C ATOM 241 O ALA A 17 -9.482 12.835 7.076 1.00 0.00 O ATOM 242 CB ALA A 17 -6.947 14.579 5.835 1.00 0.00 C ATOM 0 H ALA A 17 -5.836 15.115 7.938 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.566 15.075 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.595 14.240 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.683 15.624 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.040 13.974 5.851 1.00 0.00 H new ATOM 248 N PHE A 18 -7.487 12.001 7.742 1.00 0.00 N ATOM 249 CA PHE A 18 -7.992 10.630 8.032 1.00 0.00 C ATOM 250 C PHE A 18 -8.886 10.561 9.307 1.00 0.00 C ATOM 251 O PHE A 18 -9.988 10.014 9.217 1.00 0.00 O ATOM 252 CB PHE A 18 -6.799 9.631 8.071 1.00 0.00 C ATOM 253 CG PHE A 18 -7.196 8.146 8.155 1.00 0.00 C ATOM 254 CD1 PHE A 18 -7.417 7.390 6.998 1.00 0.00 C ATOM 255 CD2 PHE A 18 -7.373 7.547 9.409 1.00 0.00 C ATOM 256 CE1 PHE A 18 -7.825 6.063 7.098 1.00 0.00 C ATOM 257 CE2 PHE A 18 -7.787 6.224 9.504 1.00 0.00 C ATOM 258 CZ PHE A 18 -8.028 5.490 8.350 1.00 0.00 C ATOM 0 H PHE A 18 -6.483 12.108 7.886 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.658 10.337 7.220 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.191 9.779 7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -6.170 9.872 8.928 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.271 7.837 6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.187 8.117 10.307 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.984 5.478 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.921 5.767 10.473 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.375 4.470 8.424 1.00 0.00 H new ATOM 268 N MET A 19 -8.418 11.078 10.465 1.00 0.00 N ATOM 269 CA MET A 19 -9.179 11.012 11.748 1.00 0.00 C ATOM 270 C MET A 19 -10.523 11.807 11.761 1.00 0.00 C ATOM 271 O MET A 19 -11.505 11.295 12.304 1.00 0.00 O ATOM 272 CB MET A 19 -8.293 11.393 12.962 1.00 0.00 C ATOM 273 CG MET A 19 -7.250 10.347 13.402 1.00 0.00 C ATOM 274 SD MET A 19 -6.054 9.992 12.096 1.00 0.00 S ATOM 275 CE MET A 19 -5.540 8.328 12.551 1.00 0.00 C ATOM 0 H MET A 19 -7.516 11.548 10.545 1.00 0.00 H new ATOM 0 HA MET A 19 -9.468 9.965 11.837 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.770 12.320 12.726 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.946 11.603 13.809 1.00 0.00 H new ATOM 0 HG2 MET A 19 -6.725 10.709 14.286 1.00 0.00 H new ATOM 0 HG3 MET A 19 -7.758 9.426 13.688 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.047 7.855 11.702 1.00 0.00 H new ATOM 0 HE2 MET A 19 -4.847 8.378 13.391 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.414 7.742 12.836 1.00 0.00 H new ATOM 285 N LYS A 20 -10.585 13.007 11.143 1.00 0.00 N ATOM 286 CA LYS A 20 -11.863 13.744 10.918 1.00 0.00 C ATOM 287 C LYS A 20 -12.914 13.019 10.011 1.00 0.00 C ATOM 288 O LYS A 20 -14.109 13.062 10.321 1.00 0.00 O ATOM 289 CB LYS A 20 -11.560 15.212 10.490 1.00 0.00 C ATOM 290 CG LYS A 20 -11.196 15.488 9.010 1.00 0.00 C ATOM 291 CD LYS A 20 -10.658 16.909 8.736 1.00 0.00 C ATOM 292 CE LYS A 20 -11.718 18.022 8.849 1.00 0.00 C ATOM 293 NZ LYS A 20 -11.155 19.343 8.518 1.00 0.00 N ATOM 0 H LYS A 20 -9.763 13.494 10.786 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.381 13.765 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.433 15.816 10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.738 15.575 11.107 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.447 14.762 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.081 15.324 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.850 17.120 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.227 16.935 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.550 17.802 8.180 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.120 18.041 9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.896 20.068 8.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.377 19.563 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.794 19.332 7.543 1.00 0.00 H new ATOM 307 N ALA A 21 -12.468 12.356 8.922 1.00 0.00 N ATOM 308 CA ALA A 21 -13.351 11.590 8.005 1.00 0.00 C ATOM 309 C ALA A 21 -13.936 10.256 8.559 1.00 0.00 C ATOM 310 O ALA A 21 -15.107 9.976 8.288 1.00 0.00 O ATOM 311 CB ALA A 21 -12.595 11.374 6.681 1.00 0.00 C ATOM 0 H ALA A 21 -11.485 12.335 8.651 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.246 12.196 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.224 10.813 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.346 12.340 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.678 10.816 6.872 1.00 0.00 H new ATOM 317 N ILE A 22 -13.173 9.460 9.343 1.00 0.00 N ATOM 318 CA ILE A 22 -13.728 8.292 10.103 1.00 0.00 C ATOM 319 C ILE A 22 -14.741 8.682 11.238 1.00 0.00 C ATOM 320 O ILE A 22 -15.775 8.017 11.361 1.00 0.00 O ATOM 321 CB ILE A 22 -12.629 7.270 10.574 1.00 0.00 C ATOM 322 CG1 ILE A 22 -11.594 7.854 11.581 1.00 0.00 C ATOM 323 CG2 ILE A 22 -11.937 6.581 9.368 1.00 0.00 C ATOM 324 CD1 ILE A 22 -10.627 6.857 12.232 1.00 0.00 C ATOM 0 H ILE A 22 -12.171 9.597 9.473 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.330 7.756 9.370 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.169 6.509 11.138 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.005 8.610 11.063 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -12.141 8.364 12.374 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.184 5.882 9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.681 6.041 8.782 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.460 7.336 8.743 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.959 7.388 12.911 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.194 6.112 12.790 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.040 6.362 11.459 1.00 0.00 H new ATOM 336 N GLY A 23 -14.466 9.742 12.026 1.00 0.00 N ATOM 337 CA GLY A 23 -15.447 10.335 12.969 1.00 0.00 C ATOM 338 C GLY A 23 -14.916 10.669 14.380 1.00 0.00 C ATOM 339 O GLY A 23 -15.591 10.337 15.360 1.00 0.00 O ATOM 0 H GLY A 23 -13.561 10.213 12.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.840 11.249 12.525 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.284 9.645 13.072 1.00 0.00 H new ATOM 343 N LEU A 24 -13.769 11.367 14.489 1.00 0.00 N ATOM 344 CA LEU A 24 -13.261 11.914 15.780 1.00 0.00 C ATOM 345 C LEU A 24 -13.532 13.457 15.878 1.00 0.00 C ATOM 346 O LEU A 24 -13.518 14.135 14.842 1.00 0.00 O ATOM 347 CB LEU A 24 -11.741 11.614 15.951 1.00 0.00 C ATOM 348 CG LEU A 24 -11.371 10.202 16.486 1.00 0.00 C ATOM 349 CD1 LEU A 24 -9.872 9.918 16.275 1.00 0.00 C ATOM 350 CD2 LEU A 24 -11.718 10.024 17.981 1.00 0.00 C ATOM 0 H LEU A 24 -13.165 11.572 13.693 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.800 11.420 16.589 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.255 11.752 14.985 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.320 12.357 16.628 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.968 9.490 15.917 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.633 8.925 16.656 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.639 9.964 15.211 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.282 10.663 16.808 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.439 9.021 18.302 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.171 10.759 18.571 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.789 10.166 18.125 1.00 0.00 H new ATOM 362 N PRO A 25 -13.734 14.070 17.087 1.00 0.00 N ATOM 363 CA PRO A 25 -13.935 15.540 17.232 1.00 0.00 C ATOM 364 C PRO A 25 -12.658 16.391 16.957 1.00 0.00 C ATOM 365 O PRO A 25 -11.545 15.863 16.862 1.00 0.00 O ATOM 366 CB PRO A 25 -14.419 15.644 18.696 1.00 0.00 C ATOM 367 CG PRO A 25 -13.762 14.472 19.426 1.00 0.00 C ATOM 368 CD PRO A 25 -13.757 13.357 18.383 1.00 0.00 C ATOM 0 HA PRO A 25 -14.632 15.946 16.499 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.127 16.596 19.139 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.506 15.584 18.756 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.752 14.719 19.754 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.325 14.187 20.315 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.887 12.710 18.497 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.640 12.724 18.473 1.00 0.00 H new ATOM 376 N GLU A 26 -12.829 17.726 16.892 1.00 0.00 N ATOM 377 CA GLU A 26 -11.680 18.684 16.819 1.00 0.00 C ATOM 378 C GLU A 26 -11.056 19.024 18.228 1.00 0.00 C ATOM 379 O GLU A 26 -10.696 20.169 18.518 1.00 0.00 O ATOM 380 CB GLU A 26 -12.186 19.919 16.014 1.00 0.00 C ATOM 381 CG GLU A 26 -11.080 20.791 15.380 1.00 0.00 C ATOM 382 CD GLU A 26 -11.642 21.978 14.595 1.00 0.00 C ATOM 383 OE1 GLU A 26 -11.879 23.046 15.202 1.00 0.00 O ATOM 384 OE2 GLU A 26 -11.850 21.850 13.368 1.00 0.00 O ATOM 0 H GLU A 26 -13.744 18.176 16.888 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.832 18.236 16.301 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.849 19.569 15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.784 20.544 16.677 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.419 21.160 16.164 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.474 20.175 14.716 1.00 0.00 H new ATOM 391 N GLU A 27 -10.906 17.991 19.080 1.00 0.00 N ATOM 392 CA GLU A 27 -10.318 18.071 20.446 1.00 0.00 C ATOM 393 C GLU A 27 -9.293 16.910 20.625 1.00 0.00 C ATOM 394 O GLU A 27 -8.123 17.175 20.911 1.00 0.00 O ATOM 395 CB GLU A 27 -11.398 18.027 21.567 1.00 0.00 C ATOM 396 CG GLU A 27 -12.424 19.177 21.563 1.00 0.00 C ATOM 397 CD GLU A 27 -13.417 19.084 22.724 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.425 18.355 22.601 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.192 19.739 23.766 1.00 0.00 O ATOM 0 H GLU A 27 -11.198 17.045 18.836 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.816 19.034 20.542 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.939 17.084 21.486 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.891 18.022 22.532 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.897 20.130 21.616 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.971 19.168 20.620 1.00 0.00 H new ATOM 406 N LEU A 28 -9.727 15.639 20.452 1.00 0.00 N ATOM 407 CA LEU A 28 -8.841 14.442 20.514 1.00 0.00 C ATOM 408 C LEU A 28 -7.859 14.271 19.305 1.00 0.00 C ATOM 409 O LEU A 28 -6.773 13.714 19.490 1.00 0.00 O ATOM 410 CB LEU A 28 -9.703 13.159 20.717 1.00 0.00 C ATOM 411 CG LEU A 28 -10.745 13.133 21.879 1.00 0.00 C ATOM 412 CD1 LEU A 28 -11.527 11.805 21.901 1.00 0.00 C ATOM 413 CD2 LEU A 28 -10.137 13.420 23.267 1.00 0.00 C ATOM 0 H LEU A 28 -10.703 15.410 20.265 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.188 14.604 21.371 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.240 12.971 19.787 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.021 12.322 20.866 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.434 13.951 21.668 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.244 11.819 22.722 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.058 11.680 20.957 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.833 10.976 22.040 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.922 13.385 24.022 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.380 12.670 23.495 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.679 14.409 23.266 1.00 0.00 H new ATOM 425 N ILE A 29 -8.208 14.782 18.101 1.00 0.00 N ATOM 426 CA ILE A 29 -7.261 14.972 16.959 1.00 0.00 C ATOM 427 C ILE A 29 -6.123 15.993 17.309 1.00 0.00 C ATOM 428 O ILE A 29 -4.956 15.676 17.080 1.00 0.00 O ATOM 429 CB ILE A 29 -8.020 15.364 15.636 1.00 0.00 C ATOM 430 CG1 ILE A 29 -9.151 14.369 15.239 1.00 0.00 C ATOM 431 CG2 ILE A 29 -7.058 15.546 14.427 1.00 0.00 C ATOM 432 CD1 ILE A 29 -10.109 14.853 14.140 1.00 0.00 C ATOM 0 H ILE A 29 -9.160 15.078 17.886 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.777 14.012 16.777 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.485 16.321 15.874 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.691 13.437 14.910 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.736 14.138 16.129 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.634 15.816 13.541 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.341 16.337 14.648 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.524 14.613 14.243 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.855 14.083 13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.607 15.766 14.467 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.546 15.054 13.229 1.00 0.00 H new ATOM 444 N GLN A 30 -6.452 17.194 17.826 1.00 0.00 N ATOM 445 CA GLN A 30 -5.447 18.235 18.200 1.00 0.00 C ATOM 446 C GLN A 30 -4.529 17.912 19.427 1.00 0.00 C ATOM 447 O GLN A 30 -3.406 18.423 19.478 1.00 0.00 O ATOM 448 CB GLN A 30 -6.169 19.611 18.317 1.00 0.00 C ATOM 449 CG GLN A 30 -6.257 20.458 17.016 1.00 0.00 C ATOM 450 CD GLN A 30 -6.832 19.826 15.729 1.00 0.00 C ATOM 451 OE1 GLN A 30 -6.225 19.897 14.662 1.00 0.00 O ATOM 452 NE2 GLN A 30 -8.005 19.218 15.779 1.00 0.00 N ATOM 0 H GLN A 30 -7.416 17.478 17.999 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.716 18.261 17.391 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.182 19.436 18.680 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.657 20.202 19.076 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.856 21.340 17.242 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.250 20.807 16.786 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.511 19.158 16.663 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.404 18.809 14.934 1.00 0.00 H new ATOM 461 N LYS A 31 -4.955 17.038 20.361 1.00 0.00 N ATOM 462 CA LYS A 31 -4.043 16.366 21.334 1.00 0.00 C ATOM 463 C LYS A 31 -3.070 15.344 20.662 1.00 0.00 C ATOM 464 O LYS A 31 -1.858 15.429 20.881 1.00 0.00 O ATOM 465 CB LYS A 31 -4.884 15.688 22.454 1.00 0.00 C ATOM 466 CG LYS A 31 -5.591 16.673 23.412 1.00 0.00 C ATOM 467 CD LYS A 31 -6.570 16.031 24.421 1.00 0.00 C ATOM 468 CE LYS A 31 -5.978 15.047 25.452 1.00 0.00 C ATOM 469 NZ LYS A 31 -5.021 15.669 26.387 1.00 0.00 N ATOM 0 H LYS A 31 -5.934 16.773 20.469 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.406 17.136 21.770 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.636 15.050 21.990 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.231 15.039 23.038 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.830 17.221 23.968 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.138 17.403 22.816 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.067 16.833 24.967 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.340 15.505 23.856 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.792 14.601 26.023 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.479 14.236 24.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.665 14.950 27.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.225 16.072 25.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.497 16.424 26.920 1.00 0.00 H new ATOM 483 N GLY A 32 -3.593 14.408 19.844 1.00 0.00 N ATOM 484 CA GLY A 32 -2.773 13.408 19.117 1.00 0.00 C ATOM 485 C GLY A 32 -1.872 13.852 17.937 1.00 0.00 C ATOM 486 O GLY A 32 -0.965 13.091 17.594 1.00 0.00 O ATOM 0 H GLY A 32 -4.594 14.321 19.667 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.130 12.922 19.851 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.454 12.647 18.736 1.00 0.00 H new ATOM 490 N LYS A 33 -2.094 15.031 17.318 1.00 0.00 N ATOM 491 CA LYS A 33 -1.271 15.529 16.176 1.00 0.00 C ATOM 492 C LYS A 33 0.216 15.844 16.539 1.00 0.00 C ATOM 493 O LYS A 33 1.121 15.331 15.876 1.00 0.00 O ATOM 494 CB LYS A 33 -2.000 16.649 15.378 1.00 0.00 C ATOM 495 CG LYS A 33 -2.080 18.053 16.019 1.00 0.00 C ATOM 496 CD LYS A 33 -2.854 19.102 15.191 1.00 0.00 C ATOM 497 CE LYS A 33 -2.252 19.501 13.825 1.00 0.00 C ATOM 498 NZ LYS A 33 -0.907 20.101 13.908 1.00 0.00 N ATOM 0 H LYS A 33 -2.843 15.668 17.588 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.174 14.691 15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.505 16.749 14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.018 16.312 15.181 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.552 17.963 16.997 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.067 18.419 16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.861 18.722 15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.952 20.004 15.794 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.204 18.617 13.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.923 20.208 13.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.574 20.340 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.947 20.964 14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.250 19.422 14.343 1.00 0.00 H new ATOM 512 N ASP A 34 0.448 16.636 17.606 1.00 0.00 N ATOM 513 CA ASP A 34 1.799 16.868 18.184 1.00 0.00 C ATOM 514 C ASP A 34 2.347 15.662 19.012 1.00 0.00 C ATOM 515 O ASP A 34 3.530 15.343 18.870 1.00 0.00 O ATOM 516 CB ASP A 34 1.737 18.187 19.005 1.00 0.00 C ATOM 517 CG ASP A 34 3.091 18.704 19.516 1.00 0.00 C ATOM 518 OD1 ASP A 34 3.812 19.377 18.747 1.00 0.00 O ATOM 519 OD2 ASP A 34 3.436 18.432 20.687 1.00 0.00 O ATOM 0 H ASP A 34 -0.294 17.136 18.096 1.00 0.00 H new ATOM 0 HA ASP A 34 2.522 16.964 17.374 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.281 18.960 18.386 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.079 18.033 19.860 1.00 0.00 H new ATOM 524 N ILE A 35 1.521 15.014 19.868 1.00 0.00 N ATOM 525 CA ILE A 35 1.961 13.892 20.746 1.00 0.00 C ATOM 526 C ILE A 35 1.993 12.606 19.861 1.00 0.00 C ATOM 527 O ILE A 35 0.945 12.048 19.513 1.00 0.00 O ATOM 528 CB ILE A 35 1.059 13.763 22.030 1.00 0.00 C ATOM 529 CG1 ILE A 35 1.013 15.070 22.886 1.00 0.00 C ATOM 530 CG2 ILE A 35 1.503 12.568 22.920 1.00 0.00 C ATOM 531 CD1 ILE A 35 -0.058 15.134 23.989 1.00 0.00 C ATOM 0 H ILE A 35 0.534 15.250 19.973 1.00 0.00 H new ATOM 0 HA ILE A 35 2.959 14.072 21.146 1.00 0.00 H new ATOM 0 HB ILE A 35 0.050 13.581 21.659 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.989 15.207 23.351 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.859 15.913 22.212 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.859 12.509 23.797 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.426 11.642 22.350 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.535 12.714 23.237 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.013 16.089 24.510 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.047 15.038 23.542 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.100 14.321 24.698 1.00 0.00 H new ATOM 543 N LYS A 36 3.215 12.168 19.507 1.00 0.00 N ATOM 544 CA LYS A 36 3.433 11.047 18.556 1.00 0.00 C ATOM 545 C LYS A 36 3.408 9.715 19.356 1.00 0.00 C ATOM 546 O LYS A 36 4.333 9.412 20.119 1.00 0.00 O ATOM 547 CB LYS A 36 4.756 11.230 17.758 1.00 0.00 C ATOM 548 CG LYS A 36 4.980 12.561 16.996 1.00 0.00 C ATOM 549 CD LYS A 36 3.942 12.879 15.896 1.00 0.00 C ATOM 550 CE LYS A 36 4.126 14.238 15.191 1.00 0.00 C ATOM 551 NZ LYS A 36 5.349 14.332 14.372 1.00 0.00 N ATOM 0 H LYS A 36 4.079 12.574 19.866 1.00 0.00 H new ATOM 0 HA LYS A 36 2.636 11.030 17.812 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.584 11.103 18.455 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.822 10.418 17.034 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.980 13.378 17.718 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.970 12.537 16.541 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.980 12.090 15.145 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.947 12.850 16.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.261 14.425 14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.145 15.026 15.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.127 14.797 13.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.066 14.888 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.718 13.377 14.188 1.00 0.00 H new ATOM 565 N GLY A 37 2.300 8.968 19.222 1.00 0.00 N ATOM 566 CA GLY A 37 1.940 7.907 20.185 1.00 0.00 C ATOM 567 C GLY A 37 2.633 6.552 19.986 1.00 0.00 C ATOM 568 O GLY A 37 2.653 6.015 18.875 1.00 0.00 O ATOM 0 H GLY A 37 1.635 9.077 18.456 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.167 8.264 21.190 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.862 7.752 20.137 1.00 0.00 H new ATOM 572 N VAL A 38 3.148 5.985 21.092 1.00 0.00 N ATOM 573 CA VAL A 38 3.951 4.726 21.078 1.00 0.00 C ATOM 574 C VAL A 38 3.028 3.522 20.715 1.00 0.00 C ATOM 575 O VAL A 38 2.137 3.158 21.490 1.00 0.00 O ATOM 576 CB VAL A 38 4.691 4.499 22.448 1.00 0.00 C ATOM 577 CG1 VAL A 38 5.561 3.215 22.471 1.00 0.00 C ATOM 578 CG2 VAL A 38 5.601 5.672 22.880 1.00 0.00 C ATOM 0 H VAL A 38 3.025 6.378 22.025 1.00 0.00 H new ATOM 0 HA VAL A 38 4.726 4.812 20.317 1.00 0.00 H new ATOM 0 HB VAL A 38 3.863 4.407 23.151 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.043 3.119 23.444 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.930 2.345 22.291 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.323 3.278 21.694 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.073 5.434 23.833 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.370 5.833 22.125 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.002 6.577 22.987 1.00 0.00 H new ATOM 588 N SER A 39 3.292 2.909 19.548 1.00 0.00 N ATOM 589 CA SER A 39 2.607 1.668 19.111 1.00 0.00 C ATOM 590 C SER A 39 3.453 0.457 19.595 1.00 0.00 C ATOM 591 O SER A 39 4.496 0.140 19.013 1.00 0.00 O ATOM 592 CB SER A 39 2.444 1.670 17.573 1.00 0.00 C ATOM 593 OG SER A 39 1.620 2.745 17.132 1.00 0.00 O ATOM 0 H SER A 39 3.982 3.253 18.880 1.00 0.00 H new ATOM 0 HA SER A 39 1.608 1.603 19.542 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.425 1.747 17.103 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.010 0.723 17.252 1.00 0.00 H new ATOM 0 HG SER A 39 1.540 2.717 16.156 1.00 0.00 H new ATOM 599 N GLU A 40 3.010 -0.179 20.693 1.00 0.00 N ATOM 600 CA GLU A 40 3.779 -1.249 21.382 1.00 0.00 C ATOM 601 C GLU A 40 3.122 -2.613 21.047 1.00 0.00 C ATOM 602 O GLU A 40 2.122 -2.996 21.664 1.00 0.00 O ATOM 603 CB GLU A 40 3.807 -0.926 22.902 1.00 0.00 C ATOM 604 CG GLU A 40 4.691 -1.870 23.748 1.00 0.00 C ATOM 605 CD GLU A 40 4.647 -1.543 25.243 1.00 0.00 C ATOM 606 OE1 GLU A 40 5.184 -0.489 25.649 1.00 0.00 O ATOM 607 OE2 GLU A 40 4.074 -2.339 26.019 1.00 0.00 O ATOM 0 H GLU A 40 2.113 0.028 21.133 1.00 0.00 H new ATOM 0 HA GLU A 40 4.815 -1.303 21.047 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.160 0.097 23.036 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.788 -0.964 23.286 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.365 -2.899 23.596 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.721 -1.807 23.397 1.00 0.00 H new ATOM 614 N ILE A 41 3.699 -3.337 20.070 1.00 0.00 N ATOM 615 CA ILE A 41 3.161 -4.645 19.599 1.00 0.00 C ATOM 616 C ILE A 41 3.923 -5.752 20.387 1.00 0.00 C ATOM 617 O ILE A 41 5.156 -5.768 20.406 1.00 0.00 O ATOM 618 CB ILE A 41 3.287 -4.845 18.045 1.00 0.00 C ATOM 619 CG1 ILE A 41 2.799 -3.648 17.173 1.00 0.00 C ATOM 620 CG2 ILE A 41 2.569 -6.148 17.592 1.00 0.00 C ATOM 621 CD1 ILE A 41 3.315 -3.663 15.728 1.00 0.00 C ATOM 0 H ILE A 41 4.545 -3.042 19.583 1.00 0.00 H new ATOM 0 HA ILE A 41 2.089 -4.691 19.791 1.00 0.00 H new ATOM 0 HB ILE A 41 4.361 -4.917 17.872 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.709 -3.647 17.156 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.111 -2.718 17.648 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.671 -6.263 16.513 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.020 -7.005 18.093 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.512 -6.091 17.853 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.927 -2.796 15.194 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.405 -3.630 15.730 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.981 -4.574 15.232 1.00 0.00 H new ATOM 633 N VAL A 42 3.179 -6.686 20.997 1.00 0.00 N ATOM 634 CA VAL A 42 3.737 -7.880 21.671 1.00 0.00 C ATOM 635 C VAL A 42 2.986 -9.119 21.097 1.00 0.00 C ATOM 636 O VAL A 42 1.828 -9.368 21.449 1.00 0.00 O ATOM 637 CB VAL A 42 3.695 -7.699 23.227 1.00 0.00 C ATOM 638 CG1 VAL A 42 2.307 -7.467 23.876 1.00 0.00 C ATOM 639 CG2 VAL A 42 4.409 -8.859 23.944 1.00 0.00 C ATOM 0 H VAL A 42 2.161 -6.638 21.040 1.00 0.00 H new ATOM 0 HA VAL A 42 4.797 -8.032 21.468 1.00 0.00 H new ATOM 0 HB VAL A 42 4.225 -6.757 23.369 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.423 -7.358 24.954 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.860 -6.561 23.466 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.660 -8.318 23.665 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.363 -8.704 25.022 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.919 -9.799 23.691 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.451 -8.896 23.627 1.00 0.00 H new ATOM 649 N GLN A 43 3.665 -9.898 20.229 1.00 0.00 N ATOM 650 CA GLN A 43 3.145 -11.208 19.757 1.00 0.00 C ATOM 651 C GLN A 43 3.605 -12.362 20.693 1.00 0.00 C ATOM 652 O GLN A 43 4.730 -12.372 21.206 1.00 0.00 O ATOM 653 CB GLN A 43 3.462 -11.483 18.262 1.00 0.00 C ATOM 654 CG GLN A 43 4.924 -11.777 17.844 1.00 0.00 C ATOM 655 CD GLN A 43 5.017 -12.503 16.489 1.00 0.00 C ATOM 656 OE1 GLN A 43 5.376 -11.813 15.420 1.00 0.00 O flip ATOM 657 NE2 GLN A 43 4.764 -13.705 16.396 1.00 0.00 N flip ATOM 0 H GLN A 43 4.573 -9.647 19.839 1.00 0.00 H new ATOM 0 HA GLN A 43 2.057 -11.160 19.813 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.854 -12.331 17.948 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.124 -10.619 17.690 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.478 -10.840 17.789 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.402 -12.385 18.612 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.487 -14.233 17.223 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.831 -14.172 15.492 1.00 0.00 H new ATOM 666 N ASN A 44 2.710 -13.344 20.870 1.00 0.00 N ATOM 667 CA ASN A 44 3.011 -14.610 21.584 1.00 0.00 C ATOM 668 C ASN A 44 2.563 -15.774 20.657 1.00 0.00 C ATOM 669 O ASN A 44 1.497 -16.371 20.849 1.00 0.00 O ATOM 670 CB ASN A 44 2.329 -14.631 22.985 1.00 0.00 C ATOM 671 CG ASN A 44 2.889 -13.620 24.007 1.00 0.00 C ATOM 672 OD1 ASN A 44 3.984 -13.791 24.542 1.00 0.00 O ATOM 673 ND2 ASN A 44 2.158 -12.554 24.293 1.00 0.00 N ATOM 0 H ASN A 44 1.752 -13.290 20.524 1.00 0.00 H new ATOM 0 HA ASN A 44 4.077 -14.714 21.789 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.264 -14.439 22.855 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.424 -15.634 23.402 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.501 -11.865 24.962 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.252 -12.422 23.844 1.00 0.00 H new ATOM 680 N GLY A 45 3.375 -16.058 19.615 1.00 0.00 N ATOM 681 CA GLY A 45 3.004 -17.004 18.537 1.00 0.00 C ATOM 682 C GLY A 45 1.908 -16.443 17.604 1.00 0.00 C ATOM 683 O GLY A 45 2.129 -15.459 16.891 1.00 0.00 O ATOM 0 H GLY A 45 4.299 -15.642 19.497 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.890 -17.243 17.948 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.655 -17.936 18.981 1.00 0.00 H new ATOM 687 N LYS A 46 0.718 -17.062 17.672 1.00 0.00 N ATOM 688 CA LYS A 46 -0.520 -16.524 17.035 1.00 0.00 C ATOM 689 C LYS A 46 -1.279 -15.399 17.819 1.00 0.00 C ATOM 690 O LYS A 46 -2.028 -14.654 17.182 1.00 0.00 O ATOM 691 CB LYS A 46 -1.471 -17.691 16.633 1.00 0.00 C ATOM 692 CG LYS A 46 -2.048 -18.576 17.766 1.00 0.00 C ATOM 693 CD LYS A 46 -3.169 -19.544 17.332 1.00 0.00 C ATOM 694 CE LYS A 46 -2.719 -20.685 16.399 1.00 0.00 C ATOM 695 NZ LYS A 46 -3.844 -21.581 16.077 1.00 0.00 N ATOM 0 H LYS A 46 0.575 -17.944 18.164 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.167 -16.003 16.145 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.309 -17.265 16.081 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.932 -18.340 15.943 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.235 -19.157 18.202 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.433 -17.927 18.553 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.617 -19.980 18.225 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.949 -18.971 16.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.308 -20.267 15.480 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.921 -21.255 16.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.514 -22.340 15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.219 -21.996 16.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.594 -21.039 15.602 1.00 0.00 H new ATOM 709 N HIS A 47 -1.126 -15.280 19.157 1.00 0.00 N ATOM 710 CA HIS A 47 -1.930 -14.352 19.999 1.00 0.00 C ATOM 711 C HIS A 47 -1.237 -12.963 20.082 1.00 0.00 C ATOM 712 O HIS A 47 -0.278 -12.763 20.834 1.00 0.00 O ATOM 713 CB HIS A 47 -2.148 -14.965 21.413 1.00 0.00 C ATOM 714 CG HIS A 47 -3.078 -16.183 21.460 1.00 0.00 C ATOM 715 ND1 HIS A 47 -2.657 -17.498 21.363 1.00 0.00 N ATOM 716 CD2 HIS A 47 -4.480 -16.138 21.560 1.00 0.00 C ATOM 717 CE1 HIS A 47 -3.869 -18.135 21.386 1.00 0.00 C ATOM 718 NE2 HIS A 47 -5.031 -17.412 21.508 1.00 0.00 N ATOM 0 H HIS A 47 -0.444 -15.822 19.687 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.908 -14.209 19.541 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -1.179 -15.252 21.820 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.553 -14.193 22.068 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.055 -15.229 21.664 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.912 -19.211 21.308 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.003 -17.718 21.548 1.00 0.00 H new ATOM 726 N PHE A 48 -1.757 -12.013 19.291 1.00 0.00 N ATOM 727 CA PHE A 48 -1.222 -10.627 19.191 1.00 0.00 C ATOM 728 C PHE A 48 -1.973 -9.638 20.128 1.00 0.00 C ATOM 729 O PHE A 48 -3.181 -9.749 20.362 1.00 0.00 O ATOM 730 CB PHE A 48 -1.339 -10.147 17.715 1.00 0.00 C ATOM 731 CG PHE A 48 -0.181 -10.513 16.766 1.00 0.00 C ATOM 732 CD1 PHE A 48 -0.031 -11.818 16.283 1.00 0.00 C ATOM 733 CD2 PHE A 48 0.679 -9.510 16.299 1.00 0.00 C ATOM 734 CE1 PHE A 48 0.966 -12.116 15.357 1.00 0.00 C ATOM 735 CE2 PHE A 48 1.663 -9.807 15.362 1.00 0.00 C ATOM 736 CZ PHE A 48 1.809 -11.109 14.894 1.00 0.00 C ATOM 0 H PHE A 48 -2.568 -12.176 18.694 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.179 -10.642 19.508 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.260 -10.555 17.298 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.444 -9.062 17.719 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.692 -12.598 16.630 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.577 -8.500 16.669 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.085 -13.128 14.998 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.314 -9.026 14.997 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.577 -11.339 14.171 1.00 0.00 H new ATOM 746 N LYS A 49 -1.229 -8.619 20.594 1.00 0.00 N ATOM 747 CA LYS A 49 -1.798 -7.422 21.267 1.00 0.00 C ATOM 748 C LYS A 49 -0.973 -6.177 20.824 1.00 0.00 C ATOM 749 O LYS A 49 0.259 -6.232 20.758 1.00 0.00 O ATOM 750 CB LYS A 49 -1.790 -7.606 22.809 1.00 0.00 C ATOM 751 CG LYS A 49 -2.627 -6.554 23.575 1.00 0.00 C ATOM 752 CD LYS A 49 -2.453 -6.634 25.100 1.00 0.00 C ATOM 753 CE LYS A 49 -3.271 -5.561 25.838 1.00 0.00 C ATOM 754 NZ LYS A 49 -3.053 -5.618 27.295 1.00 0.00 N ATOM 0 H LYS A 49 -0.212 -8.596 20.518 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.839 -7.281 20.977 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.169 -8.600 23.048 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.760 -7.564 23.164 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.345 -5.557 23.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.680 -6.688 23.329 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.757 -7.622 25.447 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.398 -6.519 25.350 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.996 -4.574 25.467 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.331 -5.698 25.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.620 -4.881 27.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.339 -6.552 27.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.046 -5.462 27.502 1.00 0.00 H new ATOM 768 N PHE A 50 -1.654 -5.046 20.557 1.00 0.00 N ATOM 769 CA PHE A 50 -0.997 -3.762 20.198 1.00 0.00 C ATOM 770 C PHE A 50 -1.721 -2.562 20.873 1.00 0.00 C ATOM 771 O PHE A 50 -2.938 -2.403 20.744 1.00 0.00 O ATOM 772 CB PHE A 50 -0.796 -3.603 18.667 1.00 0.00 C ATOM 773 CG PHE A 50 -2.015 -3.403 17.744 1.00 0.00 C ATOM 774 CD1 PHE A 50 -2.799 -4.494 17.351 1.00 0.00 C ATOM 775 CD2 PHE A 50 -2.289 -2.138 17.213 1.00 0.00 C ATOM 776 CE1 PHE A 50 -3.827 -4.322 16.428 1.00 0.00 C ATOM 777 CE2 PHE A 50 -3.319 -1.970 16.291 1.00 0.00 C ATOM 778 CZ PHE A 50 -4.080 -3.064 15.891 1.00 0.00 C ATOM 0 H PHE A 50 -2.672 -4.990 20.582 1.00 0.00 H new ATOM 0 HA PHE A 50 0.015 -3.775 20.602 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.131 -2.753 18.514 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.266 -4.489 18.316 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.606 -5.473 17.765 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.699 -1.287 17.520 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.429 -5.167 16.128 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.527 -0.991 15.886 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.868 -2.936 15.163 1.00 0.00 H new ATOM 788 N THR A 51 -0.944 -1.727 21.589 1.00 0.00 N ATOM 789 CA THR A 51 -1.480 -0.634 22.446 1.00 0.00 C ATOM 790 C THR A 51 -0.907 0.709 21.901 1.00 0.00 C ATOM 791 O THR A 51 0.298 0.958 22.008 1.00 0.00 O ATOM 792 CB THR A 51 -1.094 -0.908 23.934 1.00 0.00 C ATOM 793 OG1 THR A 51 -1.538 -2.203 24.336 1.00 0.00 O ATOM 794 CG2 THR A 51 -1.698 0.097 24.928 1.00 0.00 C ATOM 0 H THR A 51 0.074 -1.785 21.595 1.00 0.00 H new ATOM 0 HA THR A 51 -2.568 -0.580 22.415 1.00 0.00 H new ATOM 0 HB THR A 51 -0.008 -0.819 23.962 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.287 -2.360 25.270 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.385 -0.159 25.940 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.353 1.102 24.685 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.786 0.062 24.865 1.00 0.00 H new ATOM 802 N ILE A 52 -1.779 1.561 21.326 1.00 0.00 N ATOM 803 CA ILE A 52 -1.372 2.846 20.676 1.00 0.00 C ATOM 804 C ILE A 52 -1.938 3.997 21.561 1.00 0.00 C ATOM 805 O ILE A 52 -3.158 4.153 21.656 1.00 0.00 O ATOM 806 CB ILE A 52 -1.864 2.978 19.185 1.00 0.00 C ATOM 807 CG1 ILE A 52 -1.559 1.732 18.296 1.00 0.00 C ATOM 808 CG2 ILE A 52 -1.281 4.264 18.530 1.00 0.00 C ATOM 809 CD1 ILE A 52 -2.138 1.752 16.873 1.00 0.00 C ATOM 0 H ILE A 52 -2.784 1.389 21.293 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.285 2.888 20.612 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.950 3.047 19.239 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.477 1.620 18.223 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.937 0.847 18.807 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.631 4.339 17.501 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.611 5.139 19.090 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.192 4.216 18.540 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.859 0.835 16.354 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.224 1.825 16.923 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.741 2.610 16.331 1.00 0.00 H new ATOM 821 N THR A 53 -1.058 4.824 22.155 1.00 0.00 N ATOM 822 CA THR A 53 -1.492 5.968 23.015 1.00 0.00 C ATOM 823 C THR A 53 -1.087 7.309 22.330 1.00 0.00 C ATOM 824 O THR A 53 -0.024 7.862 22.627 1.00 0.00 O ATOM 825 CB THR A 53 -0.954 5.794 24.469 1.00 0.00 C ATOM 826 OG1 THR A 53 -1.349 4.528 24.992 1.00 0.00 O ATOM 827 CG2 THR A 53 -1.463 6.865 25.455 1.00 0.00 C ATOM 0 H THR A 53 -0.046 4.732 22.063 1.00 0.00 H new ATOM 0 HA THR A 53 -2.577 5.988 23.115 1.00 0.00 H new ATOM 0 HB THR A 53 0.129 5.887 24.385 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.004 4.429 25.904 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.046 6.677 26.444 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.153 7.852 25.112 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.551 6.824 25.507 1.00 0.00 H new ATOM 835 N ALA A 54 -1.959 7.830 21.440 1.00 0.00 N ATOM 836 CA ALA A 54 -1.733 9.120 20.735 1.00 0.00 C ATOM 837 C ALA A 54 -2.601 10.233 21.378 1.00 0.00 C ATOM 838 O ALA A 54 -3.832 10.224 21.263 1.00 0.00 O ATOM 839 CB ALA A 54 -2.048 8.952 19.235 1.00 0.00 C ATOM 0 H ALA A 54 -2.836 7.375 21.188 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.688 9.415 20.831 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.882 9.898 18.720 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.397 8.188 18.810 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.088 8.651 19.113 1.00 0.00 H new ATOM 845 N GLY A 55 -1.936 11.178 22.065 1.00 0.00 N ATOM 846 CA GLY A 55 -2.616 12.274 22.792 1.00 0.00 C ATOM 847 C GLY A 55 -2.785 11.920 24.277 1.00 0.00 C ATOM 848 O GLY A 55 -1.798 11.793 25.008 1.00 0.00 O ATOM 0 H GLY A 55 -0.919 11.208 22.134 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.039 13.193 22.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.592 12.462 22.345 1.00 0.00 H new ATOM 852 N SER A 56 -4.044 11.720 24.690 1.00 0.00 N ATOM 853 CA SER A 56 -4.367 10.958 25.924 1.00 0.00 C ATOM 854 C SER A 56 -5.645 10.122 25.647 1.00 0.00 C ATOM 855 O SER A 56 -6.745 10.447 26.109 1.00 0.00 O ATOM 856 CB SER A 56 -4.475 11.891 27.152 1.00 0.00 C ATOM 857 OG SER A 56 -4.676 11.138 28.342 1.00 0.00 O ATOM 0 H SER A 56 -4.862 12.072 24.193 1.00 0.00 H new ATOM 0 HA SER A 56 -3.562 10.270 26.180 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.567 12.487 27.242 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.301 12.588 27.013 1.00 0.00 H new ATOM 0 HG SER A 56 -4.740 11.747 29.107 1.00 0.00 H new ATOM 863 N LYS A 57 -5.471 9.028 24.882 1.00 0.00 N ATOM 864 CA LYS A 57 -6.541 8.053 24.589 1.00 0.00 C ATOM 865 C LYS A 57 -5.833 6.723 24.222 1.00 0.00 C ATOM 866 O LYS A 57 -5.158 6.626 23.189 1.00 0.00 O ATOM 867 CB LYS A 57 -7.565 8.534 23.520 1.00 0.00 C ATOM 868 CG LYS A 57 -7.043 8.967 22.129 1.00 0.00 C ATOM 869 CD LYS A 57 -8.179 9.415 21.185 1.00 0.00 C ATOM 870 CE LYS A 57 -7.724 9.850 19.780 1.00 0.00 C ATOM 871 NZ LYS A 57 -7.292 8.714 18.946 1.00 0.00 N ATOM 0 H LYS A 57 -4.579 8.793 24.447 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.174 7.918 25.466 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.284 7.730 23.367 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.113 9.376 23.943 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.332 9.784 22.250 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.502 8.138 21.673 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.890 8.595 21.083 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.712 10.244 21.651 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.542 10.371 19.282 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.903 10.561 19.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.601 9.043 18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.854 7.988 19.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.116 8.308 18.459 1.00 0.00 H new ATOM 885 N VAL A 58 -5.978 5.705 25.091 1.00 0.00 N ATOM 886 CA VAL A 58 -5.290 4.395 24.922 1.00 0.00 C ATOM 887 C VAL A 58 -6.200 3.522 24.006 1.00 0.00 C ATOM 888 O VAL A 58 -7.281 3.074 24.407 1.00 0.00 O ATOM 889 CB VAL A 58 -4.960 3.707 26.294 1.00 0.00 C ATOM 890 CG1 VAL A 58 -4.128 2.418 26.102 1.00 0.00 C ATOM 891 CG2 VAL A 58 -4.197 4.604 27.300 1.00 0.00 C ATOM 0 H VAL A 58 -6.566 5.758 25.923 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.315 4.534 24.455 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.943 3.487 26.711 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.920 1.971 27.074 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.688 1.711 25.490 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.188 2.662 25.606 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.013 4.046 28.218 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.246 4.911 26.865 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.795 5.487 27.526 1.00 0.00 H new ATOM 901 N ILE A 59 -5.720 3.299 22.773 1.00 0.00 N ATOM 902 CA ILE A 59 -6.426 2.502 21.738 1.00 0.00 C ATOM 903 C ILE A 59 -5.850 1.058 21.863 1.00 0.00 C ATOM 904 O ILE A 59 -4.820 0.735 21.262 1.00 0.00 O ATOM 905 CB ILE A 59 -6.236 3.170 20.327 1.00 0.00 C ATOM 906 CG1 ILE A 59 -6.671 4.667 20.210 1.00 0.00 C ATOM 907 CG2 ILE A 59 -6.900 2.344 19.204 1.00 0.00 C ATOM 908 CD1 ILE A 59 -8.143 4.995 20.518 1.00 0.00 C ATOM 0 H ILE A 59 -4.823 3.667 22.456 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.507 2.462 21.872 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.153 3.173 20.203 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.046 5.255 20.882 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.454 5.004 19.196 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.745 2.841 18.246 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.456 1.349 19.173 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.969 2.258 19.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.310 6.066 20.399 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.789 4.449 19.831 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.374 4.703 21.542 1.00 0.00 H new ATOM 920 N GLN A 60 -6.510 0.224 22.689 1.00 0.00 N ATOM 921 CA GLN A 60 -5.943 -1.074 23.138 1.00 0.00 C ATOM 922 C GLN A 60 -6.662 -2.233 22.405 1.00 0.00 C ATOM 923 O GLN A 60 -7.872 -2.436 22.541 1.00 0.00 O ATOM 924 CB GLN A 60 -6.036 -1.191 24.684 1.00 0.00 C ATOM 925 CG GLN A 60 -5.083 -2.255 25.274 1.00 0.00 C ATOM 926 CD GLN A 60 -5.231 -2.433 26.792 1.00 0.00 C ATOM 927 OE1 GLN A 60 -6.082 -3.188 27.265 1.00 0.00 O ATOM 928 NE2 GLN A 60 -4.409 -1.760 27.585 1.00 0.00 N ATOM 0 H GLN A 60 -7.438 0.421 23.063 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.885 -1.132 22.881 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.809 -0.222 25.129 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -7.061 -1.437 24.962 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.270 -3.211 24.784 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.054 -1.976 25.047 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.708 -1.138 27.183 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.477 -1.865 28.597 1.00 0.00 H new ATOM 937 N ASN A 61 -5.875 -2.946 21.589 1.00 0.00 N ATOM 938 CA ASN A 61 -6.395 -3.863 20.541 1.00 0.00 C ATOM 939 C ASN A 61 -5.795 -5.275 20.772 1.00 0.00 C ATOM 940 O ASN A 61 -4.610 -5.411 21.093 1.00 0.00 O ATOM 941 CB ASN A 61 -5.996 -3.315 19.143 1.00 0.00 C ATOM 942 CG ASN A 61 -6.634 -1.974 18.716 1.00 0.00 C ATOM 943 OD1 ASN A 61 -6.950 -1.110 19.531 1.00 0.00 O ATOM 944 ND2 ASN A 61 -6.806 -1.736 17.431 1.00 0.00 N ATOM 0 H ASN A 61 -4.856 -2.910 21.629 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.482 -3.928 20.591 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -4.912 -3.199 19.119 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.253 -4.067 18.397 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.196 -0.845 17.125 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.549 -2.443 16.742 1.00 0.00 H new ATOM 951 N GLU A 62 -6.617 -6.327 20.599 1.00 0.00 N ATOM 952 CA GLU A 62 -6.189 -7.734 20.828 1.00 0.00 C ATOM 953 C GLU A 62 -6.848 -8.613 19.734 1.00 0.00 C ATOM 954 O GLU A 62 -8.075 -8.621 19.575 1.00 0.00 O ATOM 955 CB GLU A 62 -6.552 -8.192 22.272 1.00 0.00 C ATOM 956 CG GLU A 62 -5.789 -9.424 22.822 1.00 0.00 C ATOM 957 CD GLU A 62 -6.137 -10.784 22.200 1.00 0.00 C ATOM 958 OE1 GLU A 62 -7.323 -11.179 22.225 1.00 0.00 O ATOM 959 OE2 GLU A 62 -5.223 -11.465 21.685 1.00 0.00 O ATOM 0 H GLU A 62 -7.588 -6.236 20.300 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.106 -7.831 20.751 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.380 -7.355 22.948 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.619 -8.411 22.302 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.721 -9.251 22.687 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.969 -9.485 23.895 1.00 0.00 H new ATOM 966 N PHE A 63 -6.008 -9.366 19.004 1.00 0.00 N ATOM 967 CA PHE A 63 -6.463 -10.307 17.947 1.00 0.00 C ATOM 968 C PHE A 63 -5.703 -11.663 18.018 1.00 0.00 C ATOM 969 O PHE A 63 -4.679 -11.805 18.693 1.00 0.00 O ATOM 970 CB PHE A 63 -6.405 -9.619 16.549 1.00 0.00 C ATOM 971 CG PHE A 63 -5.014 -9.318 15.944 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.350 -8.119 16.227 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.414 -10.244 15.081 1.00 0.00 C ATOM 974 CE1 PHE A 63 -3.126 -7.836 15.627 1.00 0.00 C ATOM 975 CE2 PHE A 63 -3.185 -9.958 14.494 1.00 0.00 C ATOM 976 CZ PHE A 63 -2.549 -8.752 14.756 1.00 0.00 C ATOM 0 H PHE A 63 -4.995 -9.345 19.124 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.508 -10.562 18.123 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.946 -10.250 15.844 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.950 -8.677 16.618 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.789 -7.410 16.914 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.906 -11.182 14.871 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -2.624 -6.903 15.839 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.724 -10.677 13.832 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.605 -8.526 14.282 1.00 0.00 H new ATOM 986 N THR A 64 -6.212 -12.654 17.268 1.00 0.00 N ATOM 987 CA THR A 64 -5.489 -13.928 17.008 1.00 0.00 C ATOM 988 C THR A 64 -5.535 -14.165 15.469 1.00 0.00 C ATOM 989 O THR A 64 -6.596 -14.064 14.840 1.00 0.00 O ATOM 990 CB THR A 64 -6.084 -15.110 17.831 1.00 0.00 C ATOM 991 OG1 THR A 64 -6.240 -14.747 19.201 1.00 0.00 O ATOM 992 CG2 THR A 64 -5.190 -16.360 17.810 1.00 0.00 C ATOM 0 H THR A 64 -7.129 -12.604 16.824 1.00 0.00 H new ATOM 0 HA THR A 64 -4.452 -13.865 17.337 1.00 0.00 H new ATOM 0 HB THR A 64 -7.042 -15.334 17.361 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.616 -15.503 19.699 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.655 -17.150 18.400 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.065 -16.700 16.782 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.215 -16.117 18.233 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.372 -14.488 14.867 1.00 0.00 N ATOM 1001 CA VAL A 65 -4.223 -14.623 13.384 1.00 0.00 C ATOM 1002 C VAL A 65 -5.008 -15.845 12.815 1.00 0.00 C ATOM 1003 O VAL A 65 -4.966 -16.946 13.378 1.00 0.00 O ATOM 1004 CB VAL A 65 -2.728 -14.616 12.914 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.056 -13.246 13.124 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -1.836 -15.727 13.502 1.00 0.00 C ATOM 0 H VAL A 65 -3.509 -14.664 15.382 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.679 -13.728 12.960 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.808 -14.830 11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.022 -13.292 12.783 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.592 -12.487 12.555 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.078 -12.988 14.183 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.824 -15.627 13.110 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.814 -15.639 14.588 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.238 -16.701 13.225 1.00 0.00 H new ATOM 1016 N GLY A 66 -5.760 -15.603 11.727 1.00 0.00 N ATOM 1017 CA GLY A 66 -6.768 -16.573 11.224 1.00 0.00 C ATOM 1018 C GLY A 66 -8.203 -16.497 11.816 1.00 0.00 C ATOM 1019 O GLY A 66 -9.159 -16.845 11.119 1.00 0.00 O ATOM 0 H GLY A 66 -5.694 -14.748 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.844 -16.448 10.144 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.385 -17.578 11.402 1.00 0.00 H new ATOM 1023 N GLU A 67 -8.344 -16.078 13.087 1.00 0.00 N ATOM 1024 CA GLU A 67 -9.637 -16.000 13.810 1.00 0.00 C ATOM 1025 C GLU A 67 -10.153 -14.532 13.794 1.00 0.00 C ATOM 1026 O GLU A 67 -9.386 -13.574 13.955 1.00 0.00 O ATOM 1027 CB GLU A 67 -9.458 -16.501 15.272 1.00 0.00 C ATOM 1028 CG GLU A 67 -9.256 -18.024 15.460 1.00 0.00 C ATOM 1029 CD GLU A 67 -7.832 -18.537 15.201 1.00 0.00 C ATOM 1030 OE1 GLU A 67 -6.980 -18.446 16.111 1.00 0.00 O ATOM 1031 OE2 GLU A 67 -7.560 -19.035 14.085 1.00 0.00 O ATOM 0 H GLU A 67 -7.552 -15.778 13.655 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.370 -16.637 13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.601 -15.987 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.334 -16.200 15.846 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.539 -18.288 16.479 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.940 -18.549 14.793 1.00 0.00 H new ATOM 1038 N GLU A 68 -11.481 -14.376 13.638 1.00 0.00 N ATOM 1039 CA GLU A 68 -12.143 -13.044 13.622 1.00 0.00 C ATOM 1040 C GLU A 68 -12.293 -12.491 15.068 1.00 0.00 C ATOM 1041 O GLU A 68 -12.938 -13.114 15.919 1.00 0.00 O ATOM 1042 CB GLU A 68 -13.517 -13.146 12.902 1.00 0.00 C ATOM 1043 CG GLU A 68 -14.056 -11.776 12.435 1.00 0.00 C ATOM 1044 CD GLU A 68 -15.396 -11.866 11.704 1.00 0.00 C ATOM 1045 OE1 GLU A 68 -16.450 -11.918 12.376 1.00 0.00 O ATOM 1046 OE2 GLU A 68 -15.401 -11.878 10.453 1.00 0.00 O ATOM 0 H GLU A 68 -12.126 -15.157 13.520 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.521 -12.341 13.068 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.421 -13.806 12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.241 -13.605 13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -14.166 -11.123 13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.322 -11.311 11.777 1.00 0.00 H new ATOM 1053 N CYS A 69 -11.673 -11.325 15.322 1.00 0.00 N ATOM 1054 CA CYS A 69 -11.652 -10.686 16.663 1.00 0.00 C ATOM 1055 C CYS A 69 -11.950 -9.167 16.541 1.00 0.00 C ATOM 1056 O CYS A 69 -11.511 -8.499 15.596 1.00 0.00 O ATOM 1057 CB CYS A 69 -10.279 -10.926 17.326 1.00 0.00 C ATOM 1058 SG CYS A 69 -10.010 -12.710 17.605 1.00 0.00 S ATOM 0 H CYS A 69 -11.171 -10.795 14.609 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.426 -11.131 17.288 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.487 -10.527 16.692 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.228 -10.391 18.274 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.849 -12.892 18.161 1.00 0.00 H new ATOM 1064 N GLU A 70 -12.677 -8.621 17.539 1.00 0.00 N ATOM 1065 CA GLU A 70 -13.046 -7.181 17.574 1.00 0.00 C ATOM 1066 C GLU A 70 -11.822 -6.278 17.891 1.00 0.00 C ATOM 1067 O GLU A 70 -11.156 -6.445 18.920 1.00 0.00 O ATOM 1068 CB GLU A 70 -14.264 -6.913 18.500 1.00 0.00 C ATOM 1069 CG GLU A 70 -14.094 -7.125 20.022 1.00 0.00 C ATOM 1070 CD GLU A 70 -15.396 -6.879 20.790 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -16.229 -7.808 20.880 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -15.594 -5.756 21.301 1.00 0.00 O ATOM 0 H GLU A 70 -13.023 -9.155 18.336 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.371 -6.904 16.571 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.580 -5.882 18.342 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.082 -7.552 18.166 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.751 -8.142 20.209 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.321 -6.454 20.396 1.00 0.00 H new ATOM 1079 N LEU A 71 -11.533 -5.345 16.971 1.00 0.00 N ATOM 1080 CA LEU A 71 -10.378 -4.422 17.081 1.00 0.00 C ATOM 1081 C LEU A 71 -10.933 -3.013 17.390 1.00 0.00 C ATOM 1082 O LEU A 71 -11.723 -2.456 16.620 1.00 0.00 O ATOM 1083 CB LEU A 71 -9.545 -4.448 15.767 1.00 0.00 C ATOM 1084 CG LEU A 71 -8.675 -5.720 15.557 1.00 0.00 C ATOM 1085 CD1 LEU A 71 -8.204 -5.869 14.100 1.00 0.00 C ATOM 1086 CD2 LEU A 71 -7.447 -5.729 16.484 1.00 0.00 C ATOM 0 H LEU A 71 -12.089 -5.204 16.128 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.705 -4.726 17.883 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.227 -4.351 14.922 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.892 -3.575 15.753 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.318 -6.564 15.804 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.600 -6.771 14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.071 -5.940 13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.607 -5.001 13.820 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.864 -6.633 16.307 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.830 -4.854 16.279 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.775 -5.706 17.523 1.00 0.00 H new ATOM 1098 N GLU A 72 -10.500 -2.444 18.528 1.00 0.00 N ATOM 1099 CA GLU A 72 -10.965 -1.112 18.999 1.00 0.00 C ATOM 1100 C GLU A 72 -10.237 -0.009 18.183 1.00 0.00 C ATOM 1101 O GLU A 72 -9.063 0.266 18.430 1.00 0.00 O ATOM 1102 CB GLU A 72 -10.690 -0.948 20.522 1.00 0.00 C ATOM 1103 CG GLU A 72 -11.396 -1.956 21.458 1.00 0.00 C ATOM 1104 CD GLU A 72 -11.164 -1.677 22.949 1.00 0.00 C ATOM 1105 OE1 GLU A 72 -11.528 -0.580 23.427 1.00 0.00 O ATOM 1106 OE2 GLU A 72 -10.629 -2.561 23.653 1.00 0.00 O ATOM 0 H GLU A 72 -9.822 -2.885 19.150 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.040 -1.022 18.846 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.615 -1.024 20.686 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.987 0.059 20.817 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.467 -1.938 21.256 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.045 -2.962 21.226 1.00 0.00 H new ATOM 1113 N THR A 73 -10.909 0.590 17.182 1.00 0.00 N ATOM 1114 CA THR A 73 -10.243 1.529 16.227 1.00 0.00 C ATOM 1115 C THR A 73 -10.028 2.960 16.833 1.00 0.00 C ATOM 1116 O THR A 73 -10.369 3.229 17.992 1.00 0.00 O ATOM 1117 CB THR A 73 -10.964 1.425 14.841 1.00 0.00 C ATOM 1118 OG1 THR A 73 -10.091 1.875 13.810 1.00 0.00 O ATOM 1119 CG2 THR A 73 -12.290 2.196 14.707 1.00 0.00 C ATOM 0 H THR A 73 -11.904 0.450 17.005 1.00 0.00 H new ATOM 0 HA THR A 73 -9.210 1.236 16.039 1.00 0.00 H new ATOM 0 HB THR A 73 -11.218 0.369 14.752 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.545 1.807 12.944 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.696 2.050 13.706 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.002 1.827 15.445 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.112 3.258 14.875 1.00 0.00 H new ATOM 1127 N MET A 74 -9.437 3.874 16.040 1.00 0.00 N ATOM 1128 CA MET A 74 -9.179 5.288 16.451 1.00 0.00 C ATOM 1129 C MET A 74 -10.470 6.087 16.830 1.00 0.00 C ATOM 1130 O MET A 74 -10.534 6.616 17.944 1.00 0.00 O ATOM 1131 CB MET A 74 -8.326 6.013 15.374 1.00 0.00 C ATOM 1132 CG MET A 74 -6.887 5.484 15.192 1.00 0.00 C ATOM 1133 SD MET A 74 -5.903 5.750 16.684 1.00 0.00 S ATOM 1134 CE MET A 74 -5.285 7.425 16.425 1.00 0.00 C ATOM 0 H MET A 74 -9.121 3.663 15.093 1.00 0.00 H new ATOM 0 HA MET A 74 -8.607 5.248 17.378 1.00 0.00 H new ATOM 0 HB2 MET A 74 -8.844 5.941 14.418 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.275 7.071 15.629 1.00 0.00 H new ATOM 0 HG2 MET A 74 -6.914 4.420 14.955 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.416 5.986 14.347 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.662 7.718 17.270 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.693 7.457 15.510 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.126 8.114 16.338 1.00 0.00 H new ATOM 1144 N THR A 75 -11.510 6.100 15.965 1.00 0.00 N ATOM 1145 CA THR A 75 -12.902 6.442 16.370 1.00 0.00 C ATOM 1146 C THR A 75 -13.566 5.279 17.189 1.00 0.00 C ATOM 1147 O THR A 75 -13.064 4.151 17.241 1.00 0.00 O ATOM 1148 CB THR A 75 -13.700 6.899 15.105 1.00 0.00 C ATOM 1149 OG1 THR A 75 -14.908 7.530 15.511 1.00 0.00 O ATOM 1150 CG2 THR A 75 -14.073 5.803 14.087 1.00 0.00 C ATOM 0 H THR A 75 -11.415 5.877 14.974 1.00 0.00 H new ATOM 0 HA THR A 75 -12.904 7.283 17.063 1.00 0.00 H new ATOM 0 HB THR A 75 -13.008 7.565 14.589 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.408 7.819 14.719 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.623 6.248 13.258 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.165 5.333 13.709 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.695 5.052 14.573 1.00 0.00 H new ATOM 1158 N GLY A 76 -14.709 5.575 17.830 1.00 0.00 N ATOM 1159 CA GLY A 76 -15.440 4.594 18.671 1.00 0.00 C ATOM 1160 C GLY A 76 -16.250 3.554 17.867 1.00 0.00 C ATOM 1161 O GLY A 76 -17.425 3.781 17.565 1.00 0.00 O ATOM 0 H GLY A 76 -15.155 6.491 17.785 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.724 4.070 19.305 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -16.117 5.133 19.333 1.00 0.00 H new ATOM 1165 N GLU A 77 -15.597 2.430 17.526 1.00 0.00 N ATOM 1166 CA GLU A 77 -16.197 1.345 16.708 1.00 0.00 C ATOM 1167 C GLU A 77 -15.365 0.061 16.988 1.00 0.00 C ATOM 1168 O GLU A 77 -14.174 -0.003 16.662 1.00 0.00 O ATOM 1169 CB GLU A 77 -16.208 1.718 15.196 1.00 0.00 C ATOM 1170 CG GLU A 77 -16.976 0.729 14.293 1.00 0.00 C ATOM 1171 CD GLU A 77 -16.833 1.065 12.806 1.00 0.00 C ATOM 1172 OE1 GLU A 77 -17.632 1.878 12.289 1.00 0.00 O ATOM 1173 OE2 GLU A 77 -15.921 0.518 12.147 1.00 0.00 O ATOM 0 H GLU A 77 -14.635 2.241 17.807 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.241 1.183 16.977 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.648 2.709 15.083 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.178 1.785 14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.609 -0.282 14.471 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -18.032 0.737 14.565 1.00 0.00 H new ATOM 1180 N LYS A 78 -16.012 -0.966 17.570 1.00 0.00 N ATOM 1181 CA LYS A 78 -15.338 -2.249 17.919 1.00 0.00 C ATOM 1182 C LYS A 78 -15.638 -3.269 16.788 1.00 0.00 C ATOM 1183 O LYS A 78 -16.692 -3.912 16.746 1.00 0.00 O ATOM 1184 CB LYS A 78 -15.731 -2.738 19.337 1.00 0.00 C ATOM 1185 CG LYS A 78 -15.371 -1.728 20.452 1.00 0.00 C ATOM 1186 CD LYS A 78 -15.418 -2.295 21.882 1.00 0.00 C ATOM 1187 CE LYS A 78 -15.062 -1.250 22.958 1.00 0.00 C ATOM 1188 NZ LYS A 78 -16.140 -0.269 23.195 1.00 0.00 N ATOM 0 H LYS A 78 -17.002 -0.940 17.812 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.258 -2.115 17.977 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -16.803 -2.931 19.363 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -15.231 -3.685 19.539 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.369 -1.342 20.263 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -16.055 -0.882 20.390 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.416 -2.685 22.079 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.727 -3.135 21.957 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -14.835 -1.763 23.892 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -14.158 -0.721 22.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.841 0.406 23.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.342 0.244 22.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.998 -0.765 23.511 1.00 0.00 H new ATOM 1202 N VAL A 79 -14.699 -3.320 15.832 1.00 0.00 N ATOM 1203 CA VAL A 79 -14.941 -3.804 14.451 1.00 0.00 C ATOM 1204 C VAL A 79 -14.308 -5.214 14.266 1.00 0.00 C ATOM 1205 O VAL A 79 -13.088 -5.387 14.352 1.00 0.00 O ATOM 1206 CB VAL A 79 -14.471 -2.703 13.433 1.00 0.00 C ATOM 1207 CG1 VAL A 79 -13.061 -2.097 13.646 1.00 0.00 C ATOM 1208 CG2 VAL A 79 -14.625 -3.143 11.963 1.00 0.00 C ATOM 0 H VAL A 79 -13.736 -3.024 15.991 1.00 0.00 H new ATOM 0 HA VAL A 79 -16.002 -3.952 14.250 1.00 0.00 H new ATOM 0 HB VAL A 79 -15.166 -1.895 13.661 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.865 -1.352 12.875 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.012 -1.625 14.627 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.313 -2.887 13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.285 -2.343 11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.027 -4.037 11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.673 -3.361 11.756 1.00 0.00 H new ATOM 1218 N LYS A 80 -15.171 -6.205 13.969 1.00 0.00 N ATOM 1219 CA LYS A 80 -14.771 -7.628 13.824 1.00 0.00 C ATOM 1220 C LYS A 80 -14.184 -7.868 12.404 1.00 0.00 C ATOM 1221 O LYS A 80 -14.909 -7.833 11.404 1.00 0.00 O ATOM 1222 CB LYS A 80 -15.987 -8.563 14.093 1.00 0.00 C ATOM 1223 CG LYS A 80 -16.448 -8.739 15.561 1.00 0.00 C ATOM 1224 CD LYS A 80 -17.188 -7.557 16.234 1.00 0.00 C ATOM 1225 CE LYS A 80 -18.512 -7.094 15.591 1.00 0.00 C ATOM 1226 NZ LYS A 80 -19.586 -8.102 15.684 1.00 0.00 N ATOM 0 H LYS A 80 -16.168 -6.046 13.822 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.001 -7.861 14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.833 -8.186 13.518 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.746 -9.549 13.696 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.101 -9.611 15.604 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.569 -8.969 16.162 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.393 -7.832 17.268 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.509 -6.705 16.260 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.842 -6.175 16.075 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.336 -6.856 14.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.448 -7.733 15.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.288 -8.972 15.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.779 -8.312 16.684 1.00 0.00 H new ATOM 1240 N THR A 81 -12.858 -8.096 12.343 1.00 0.00 N ATOM 1241 CA THR A 81 -12.133 -8.355 11.069 1.00 0.00 C ATOM 1242 C THR A 81 -10.989 -9.390 11.308 1.00 0.00 C ATOM 1243 O THR A 81 -10.269 -9.347 12.313 1.00 0.00 O ATOM 1244 CB THR A 81 -11.668 -7.043 10.355 1.00 0.00 C ATOM 1245 OG1 THR A 81 -11.039 -7.384 9.125 1.00 0.00 O ATOM 1246 CG2 THR A 81 -10.717 -6.113 11.126 1.00 0.00 C ATOM 0 H THR A 81 -12.256 -8.107 13.166 1.00 0.00 H new ATOM 0 HA THR A 81 -12.829 -8.803 10.360 1.00 0.00 H new ATOM 0 HB THR A 81 -12.589 -6.472 10.242 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.227 -6.691 8.458 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.479 -5.245 10.511 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.198 -5.784 12.047 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.799 -6.650 11.367 1.00 0.00 H new ATOM 1254 N VAL A 82 -10.820 -10.300 10.327 1.00 0.00 N ATOM 1255 CA VAL A 82 -9.767 -11.357 10.346 1.00 0.00 C ATOM 1256 C VAL A 82 -8.414 -10.726 9.881 1.00 0.00 C ATOM 1257 O VAL A 82 -8.357 -10.033 8.857 1.00 0.00 O ATOM 1258 CB VAL A 82 -10.154 -12.587 9.445 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -9.156 -13.758 9.611 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -11.565 -13.173 9.690 1.00 0.00 C ATOM 0 H VAL A 82 -11.407 -10.329 9.494 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.667 -11.737 11.363 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.129 -12.164 8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.459 -14.588 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -8.157 -13.427 9.327 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -9.148 -14.085 10.651 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.731 -14.015 9.018 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.644 -13.512 10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.316 -12.405 9.501 1.00 0.00 H new ATOM 1270 N VAL A 83 -7.335 -11.009 10.634 1.00 0.00 N ATOM 1271 CA VAL A 83 -5.967 -10.512 10.310 1.00 0.00 C ATOM 1272 C VAL A 83 -5.141 -11.741 9.833 1.00 0.00 C ATOM 1273 O VAL A 83 -4.917 -12.680 10.605 1.00 0.00 O ATOM 1274 CB VAL A 83 -5.272 -9.780 11.511 1.00 0.00 C ATOM 1275 CG1 VAL A 83 -3.956 -9.090 11.075 1.00 0.00 C ATOM 1276 CG2 VAL A 83 -6.144 -8.742 12.260 1.00 0.00 C ATOM 0 H VAL A 83 -7.376 -11.582 11.477 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.032 -9.754 9.529 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.077 -10.590 12.214 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.504 -8.594 11.934 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.266 -9.837 10.683 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.171 -8.353 10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.565 -8.297 13.070 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.457 -7.961 11.566 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.024 -9.236 12.672 1.00 0.00 H new ATOM 1286 N GLN A 84 -4.653 -11.702 8.580 1.00 0.00 N ATOM 1287 CA GLN A 84 -3.721 -12.725 8.047 1.00 0.00 C ATOM 1288 C GLN A 84 -2.270 -12.186 8.189 1.00 0.00 C ATOM 1289 O GLN A 84 -1.931 -11.124 7.655 1.00 0.00 O ATOM 1290 CB GLN A 84 -4.076 -13.041 6.566 1.00 0.00 C ATOM 1291 CG GLN A 84 -5.093 -14.184 6.336 1.00 0.00 C ATOM 1292 CD GLN A 84 -6.567 -13.896 6.686 1.00 0.00 C ATOM 1293 OE1 GLN A 84 -7.020 -12.757 6.803 1.00 0.00 O ATOM 1294 NE2 GLN A 84 -7.358 -14.947 6.828 1.00 0.00 N ATOM 0 H GLN A 84 -4.888 -10.970 7.910 1.00 0.00 H new ATOM 0 HA GLN A 84 -3.807 -13.656 8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.470 -12.134 6.107 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.155 -13.291 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.045 -14.473 5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.770 -15.046 6.919 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.978 -15.888 6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.348 -14.816 7.035 1.00 0.00 H new ATOM 1303 N LEU A 85 -1.413 -12.959 8.880 1.00 0.00 N ATOM 1304 CA LEU A 85 0.049 -12.697 8.924 1.00 0.00 C ATOM 1305 C LEU A 85 0.728 -13.360 7.696 1.00 0.00 C ATOM 1306 O LEU A 85 0.645 -14.577 7.497 1.00 0.00 O ATOM 1307 CB LEU A 85 0.640 -13.191 10.275 1.00 0.00 C ATOM 1308 CG LEU A 85 2.184 -13.113 10.457 1.00 0.00 C ATOM 1309 CD1 LEU A 85 2.761 -11.697 10.268 1.00 0.00 C ATOM 1310 CD2 LEU A 85 2.604 -13.680 11.824 1.00 0.00 C ATOM 0 H LEU A 85 -1.703 -13.775 9.420 1.00 0.00 H new ATOM 0 HA LEU A 85 0.242 -11.626 8.868 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.178 -12.613 11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.337 -14.229 10.415 1.00 0.00 H new ATOM 0 HG LEU A 85 2.606 -13.727 9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.841 -11.722 10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.536 -11.344 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.315 -11.022 10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.687 -13.615 11.928 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.128 -13.105 12.618 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.295 -14.723 11.896 1.00 0.00 H new ATOM 1322 N GLU A 86 1.439 -12.525 6.920 1.00 0.00 N ATOM 1323 CA GLU A 86 2.313 -12.986 5.815 1.00 0.00 C ATOM 1324 C GLU A 86 3.776 -12.988 6.322 1.00 0.00 C ATOM 1325 O GLU A 86 4.352 -11.945 6.657 1.00 0.00 O ATOM 1326 CB GLU A 86 2.144 -12.102 4.557 1.00 0.00 C ATOM 1327 CG GLU A 86 0.824 -12.363 3.804 1.00 0.00 C ATOM 1328 CD GLU A 86 0.660 -11.486 2.561 1.00 0.00 C ATOM 1329 OE1 GLU A 86 1.272 -11.797 1.514 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -0.081 -10.481 2.625 1.00 0.00 O ATOM 0 H GLU A 86 1.428 -11.512 7.036 1.00 0.00 H new ATOM 0 HA GLU A 86 2.031 -13.996 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.186 -11.053 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.981 -12.279 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.781 -13.412 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.014 -12.187 4.479 1.00 0.00 H new ATOM 1337 N GLY A 87 4.334 -14.206 6.395 1.00 0.00 N ATOM 1338 CA GLY A 87 5.683 -14.455 6.953 1.00 0.00 C ATOM 1339 C GLY A 87 5.787 -14.191 8.473 1.00 0.00 C ATOM 1340 O GLY A 87 5.079 -14.811 9.273 1.00 0.00 O ATOM 0 H GLY A 87 3.866 -15.052 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.964 -15.489 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.403 -13.823 6.434 1.00 0.00 H new ATOM 1344 N ASP A 88 6.663 -13.244 8.833 1.00 0.00 N ATOM 1345 CA ASP A 88 6.708 -12.631 10.198 1.00 0.00 C ATOM 1346 C ASP A 88 6.744 -11.058 10.195 1.00 0.00 C ATOM 1347 O ASP A 88 6.913 -10.471 11.269 1.00 0.00 O ATOM 1348 CB ASP A 88 7.910 -13.214 11.000 1.00 0.00 C ATOM 1349 CG ASP A 88 7.755 -14.676 11.444 1.00 0.00 C ATOM 1350 OD1 ASP A 88 7.094 -14.930 12.475 1.00 0.00 O ATOM 1351 OD2 ASP A 88 8.291 -15.576 10.759 1.00 0.00 O ATOM 0 H ASP A 88 7.367 -12.870 8.197 1.00 0.00 H new ATOM 0 HA ASP A 88 5.771 -12.896 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.808 -13.131 10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.068 -12.598 11.885 1.00 0.00 H new ATOM 1356 N ASN A 89 6.577 -10.364 9.042 1.00 0.00 N ATOM 1357 CA ASN A 89 6.791 -8.890 8.924 1.00 0.00 C ATOM 1358 C ASN A 89 5.744 -8.110 8.046 1.00 0.00 C ATOM 1359 O ASN A 89 6.060 -7.012 7.577 1.00 0.00 O ATOM 1360 CB ASN A 89 8.286 -8.642 8.540 1.00 0.00 C ATOM 1361 CG ASN A 89 8.722 -8.979 7.101 1.00 0.00 C ATOM 1362 OD1 ASN A 89 8.957 -10.136 6.751 1.00 0.00 O ATOM 1363 ND2 ASN A 89 8.845 -7.970 6.254 1.00 0.00 N ATOM 0 H ASN A 89 6.291 -10.804 8.167 1.00 0.00 H new ATOM 0 HA ASN A 89 6.593 -8.443 9.898 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.508 -7.590 8.720 1.00 0.00 H new ATOM 0 HB3 ASN A 89 8.908 -9.221 9.223 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.139 -8.144 5.293 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.646 -7.018 6.562 1.00 0.00 H new ATOM 1370 N LYS A 90 4.498 -8.611 7.864 1.00 0.00 N ATOM 1371 CA LYS A 90 3.406 -7.874 7.174 1.00 0.00 C ATOM 1372 C LYS A 90 2.038 -8.394 7.706 1.00 0.00 C ATOM 1373 O LYS A 90 1.716 -9.575 7.550 1.00 0.00 O ATOM 1374 CB LYS A 90 3.524 -8.054 5.636 1.00 0.00 C ATOM 1375 CG LYS A 90 2.630 -7.110 4.798 1.00 0.00 C ATOM 1376 CD LYS A 90 2.139 -7.703 3.461 1.00 0.00 C ATOM 1377 CE LYS A 90 3.187 -7.889 2.343 1.00 0.00 C ATOM 1378 NZ LYS A 90 4.073 -9.051 2.540 1.00 0.00 N ATOM 0 H LYS A 90 4.220 -9.536 8.190 1.00 0.00 H new ATOM 0 HA LYS A 90 3.483 -6.807 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.563 -7.899 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.274 -9.085 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.763 -6.829 5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.185 -6.195 4.592 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.690 -8.674 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.347 -7.060 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.671 -7.996 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.796 -6.988 2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.644 -9.201 1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.702 -8.875 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.499 -9.898 2.726 1.00 0.00 H new ATOM 1392 N LEU A 91 1.221 -7.492 8.284 1.00 0.00 N ATOM 1393 CA LEU A 91 -0.160 -7.815 8.745 1.00 0.00 C ATOM 1394 C LEU A 91 -1.178 -7.119 7.804 1.00 0.00 C ATOM 1395 O LEU A 91 -1.183 -5.891 7.664 1.00 0.00 O ATOM 1396 CB LEU A 91 -0.397 -7.359 10.210 1.00 0.00 C ATOM 1397 CG LEU A 91 0.413 -8.087 11.316 1.00 0.00 C ATOM 1398 CD1 LEU A 91 0.510 -7.218 12.585 1.00 0.00 C ATOM 1399 CD2 LEU A 91 -0.143 -9.485 11.650 1.00 0.00 C ATOM 0 H LEU A 91 1.490 -6.522 8.448 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.292 -8.897 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.174 -6.294 10.273 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.457 -7.477 10.434 1.00 0.00 H new ATOM 0 HG LEU A 91 1.415 -8.241 10.915 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.082 -7.748 13.346 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.008 -6.279 12.346 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.492 -7.011 12.962 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.466 -9.942 12.430 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.171 -9.394 12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.118 -10.109 10.757 1.00 0.00 H new ATOM 1411 N VAL A 92 -2.048 -7.928 7.179 1.00 0.00 N ATOM 1412 CA VAL A 92 -3.072 -7.457 6.208 1.00 0.00 C ATOM 1413 C VAL A 92 -4.487 -7.647 6.834 1.00 0.00 C ATOM 1414 O VAL A 92 -4.886 -8.765 7.178 1.00 0.00 O ATOM 1415 CB VAL A 92 -2.919 -8.150 4.812 1.00 0.00 C ATOM 1416 CG1 VAL A 92 -1.740 -7.566 3.999 1.00 0.00 C ATOM 1417 CG2 VAL A 92 -2.838 -9.694 4.792 1.00 0.00 C ATOM 0 H VAL A 92 -2.068 -8.937 7.328 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.925 -6.395 6.012 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.873 -7.912 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.672 -8.077 3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.904 -6.501 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.811 -7.708 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.734 -10.040 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.976 -10.021 5.374 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.747 -10.112 5.225 1.00 0.00 H new ATOM 1427 N THR A 93 -5.232 -6.534 6.973 1.00 0.00 N ATOM 1428 CA THR A 93 -6.607 -6.535 7.548 1.00 0.00 C ATOM 1429 C THR A 93 -7.386 -5.296 7.039 1.00 0.00 C ATOM 1430 O THR A 93 -6.874 -4.174 7.049 1.00 0.00 O ATOM 1431 CB THR A 93 -6.602 -6.633 9.106 1.00 0.00 C ATOM 1432 OG1 THR A 93 -7.924 -6.887 9.566 1.00 0.00 O ATOM 1433 CG2 THR A 93 -6.031 -5.437 9.897 1.00 0.00 C ATOM 0 H THR A 93 -4.907 -5.608 6.694 1.00 0.00 H new ATOM 0 HA THR A 93 -7.121 -7.432 7.203 1.00 0.00 H new ATOM 0 HB THR A 93 -5.906 -7.448 9.307 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.150 -7.828 9.409 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.092 -5.645 10.965 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.990 -5.279 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.608 -4.541 9.668 1.00 0.00 H new ATOM 1441 N THR A 94 -8.649 -5.519 6.648 1.00 0.00 N ATOM 1442 CA THR A 94 -9.565 -4.449 6.177 1.00 0.00 C ATOM 1443 C THR A 94 -10.755 -4.345 7.165 1.00 0.00 C ATOM 1444 O THR A 94 -11.506 -5.307 7.358 1.00 0.00 O ATOM 1445 CB THR A 94 -9.977 -4.666 4.695 1.00 0.00 C ATOM 1446 OG1 THR A 94 -10.838 -3.614 4.268 1.00 0.00 O ATOM 1447 CG2 THR A 94 -10.647 -6.015 4.379 1.00 0.00 C ATOM 0 H THR A 94 -9.073 -6.447 6.646 1.00 0.00 H new ATOM 0 HA THR A 94 -9.059 -3.484 6.176 1.00 0.00 H new ATOM 0 HB THR A 94 -9.034 -4.668 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.091 -3.758 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.893 -6.060 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.964 -6.827 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.559 -6.115 4.967 1.00 0.00 H new ATOM 1455 N PHE A 95 -10.917 -3.166 7.786 1.00 0.00 N ATOM 1456 CA PHE A 95 -11.873 -2.980 8.911 1.00 0.00 C ATOM 1457 C PHE A 95 -13.326 -2.780 8.376 1.00 0.00 C ATOM 1458 O PHE A 95 -14.039 -3.773 8.204 1.00 0.00 O ATOM 1459 CB PHE A 95 -11.394 -1.887 9.912 1.00 0.00 C ATOM 1460 CG PHE A 95 -10.007 -1.989 10.574 1.00 0.00 C ATOM 1461 CD1 PHE A 95 -9.845 -2.690 11.773 1.00 0.00 C ATOM 1462 CD2 PHE A 95 -8.935 -1.242 10.069 1.00 0.00 C ATOM 1463 CE1 PHE A 95 -8.635 -2.634 12.461 1.00 0.00 C ATOM 1464 CE2 PHE A 95 -7.730 -1.182 10.766 1.00 0.00 C ATOM 1465 CZ PHE A 95 -7.578 -1.883 11.957 1.00 0.00 C ATOM 0 H PHE A 95 -10.403 -2.322 7.535 1.00 0.00 H new ATOM 0 HA PHE A 95 -11.898 -3.895 9.503 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.431 -0.932 9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.131 -1.840 10.714 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -10.661 -3.277 12.167 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.043 -0.710 9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.517 -3.175 13.388 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.913 -0.590 10.381 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.640 -1.845 12.491 1.00 0.00 H new ATOM 1475 N LYS A 96 -13.754 -1.530 8.096 1.00 0.00 N ATOM 1476 CA LYS A 96 -15.087 -1.215 7.524 1.00 0.00 C ATOM 1477 C LYS A 96 -14.893 -1.044 5.987 1.00 0.00 C ATOM 1478 O LYS A 96 -15.044 -2.026 5.254 1.00 0.00 O ATOM 1479 CB LYS A 96 -15.657 -0.008 8.325 1.00 0.00 C ATOM 1480 CG LYS A 96 -17.148 0.313 8.090 1.00 0.00 C ATOM 1481 CD LYS A 96 -18.126 -0.278 9.126 1.00 0.00 C ATOM 1482 CE LYS A 96 -18.322 -1.806 9.076 1.00 0.00 C ATOM 1483 NZ LYS A 96 -19.287 -2.249 10.099 1.00 0.00 N ATOM 0 H LYS A 96 -13.181 -0.702 8.261 1.00 0.00 H new ATOM 0 HA LYS A 96 -15.845 -1.992 7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -15.510 -0.200 9.388 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -15.071 0.877 8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.271 1.396 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -17.429 -0.052 7.102 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -17.775 -0.009 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -19.098 0.197 8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.675 -2.099 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.365 -2.304 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.401 -3.281 10.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -18.936 -1.989 11.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -20.205 -1.790 9.932 1.00 0.00 H new ATOM 1497 N ASN A 97 -14.474 0.148 5.513 1.00 0.00 N ATOM 1498 CA ASN A 97 -13.698 0.277 4.248 1.00 0.00 C ATOM 1499 C ASN A 97 -12.382 1.049 4.571 1.00 0.00 C ATOM 1500 O ASN A 97 -12.201 2.203 4.172 1.00 0.00 O ATOM 1501 CB ASN A 97 -14.546 0.935 3.120 1.00 0.00 C ATOM 1502 CG ASN A 97 -15.690 0.058 2.571 1.00 0.00 C ATOM 1503 OD1 ASN A 97 -15.462 -0.900 1.833 1.00 0.00 O ATOM 1504 ND2 ASN A 97 -16.931 0.357 2.925 1.00 0.00 N ATOM 0 H ASN A 97 -14.656 1.036 5.981 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.436 -0.706 3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.971 1.864 3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.884 1.201 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.709 -0.209 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.109 1.153 3.537 1.00 0.00 H new ATOM 1511 N ILE A 98 -11.467 0.388 5.314 1.00 0.00 N ATOM 1512 CA ILE A 98 -10.138 0.945 5.686 1.00 0.00 C ATOM 1513 C ILE A 98 -9.164 -0.242 5.449 1.00 0.00 C ATOM 1514 O ILE A 98 -9.071 -1.130 6.301 1.00 0.00 O ATOM 1515 CB ILE A 98 -10.079 1.520 7.153 1.00 0.00 C ATOM 1516 CG1 ILE A 98 -10.957 2.788 7.391 1.00 0.00 C ATOM 1517 CG2 ILE A 98 -8.627 1.863 7.575 1.00 0.00 C ATOM 1518 CD1 ILE A 98 -12.367 2.511 7.930 1.00 0.00 C ATOM 0 H ILE A 98 -11.626 -0.552 5.677 1.00 0.00 H new ATOM 0 HA ILE A 98 -9.879 1.820 5.089 1.00 0.00 H new ATOM 0 HB ILE A 98 -10.485 0.713 7.763 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.439 3.443 8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -11.045 3.332 6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.627 2.256 8.592 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.014 0.963 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.218 2.611 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.898 3.454 8.062 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.910 1.885 7.223 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.296 1.998 8.889 1.00 0.00 H new ATOM 1530 N LYS A 99 -8.412 -0.228 4.331 1.00 0.00 N ATOM 1531 CA LYS A 99 -7.445 -1.310 3.999 1.00 0.00 C ATOM 1532 C LYS A 99 -6.089 -1.005 4.703 1.00 0.00 C ATOM 1533 O LYS A 99 -5.298 -0.179 4.235 1.00 0.00 O ATOM 1534 CB LYS A 99 -7.336 -1.452 2.453 1.00 0.00 C ATOM 1535 CG LYS A 99 -6.965 -2.856 1.918 1.00 0.00 C ATOM 1536 CD LYS A 99 -5.597 -3.428 2.346 1.00 0.00 C ATOM 1537 CE LYS A 99 -5.275 -4.755 1.635 1.00 0.00 C ATOM 1538 NZ LYS A 99 -4.009 -5.340 2.107 1.00 0.00 N ATOM 0 H LYS A 99 -8.451 0.519 3.637 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.783 -2.278 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.290 -1.160 2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.590 -0.742 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.739 -3.555 2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.993 -2.822 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.816 -2.701 2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.592 -3.585 3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.087 -5.463 1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.218 -4.586 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.830 -6.232 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.230 -4.676 1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.072 -5.526 3.128 1.00 0.00 H new ATOM 1552 N SER A 100 -5.867 -1.668 5.852 1.00 0.00 N ATOM 1553 CA SER A 100 -4.714 -1.399 6.748 1.00 0.00 C ATOM 1554 C SER A 100 -3.573 -2.414 6.487 1.00 0.00 C ATOM 1555 O SER A 100 -3.774 -3.633 6.558 1.00 0.00 O ATOM 1556 CB SER A 100 -5.190 -1.456 8.215 1.00 0.00 C ATOM 1557 OG SER A 100 -4.176 -0.991 9.097 1.00 0.00 O ATOM 0 H SER A 100 -6.481 -2.409 6.192 1.00 0.00 H new ATOM 0 HA SER A 100 -4.317 -0.404 6.545 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.087 -0.849 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.461 -2.480 8.474 1.00 0.00 H new ATOM 0 HG SER A 100 -4.501 -1.035 10.021 1.00 0.00 H new ATOM 1563 N VAL A 101 -2.376 -1.879 6.201 1.00 0.00 N ATOM 1564 CA VAL A 101 -1.160 -2.693 5.923 1.00 0.00 C ATOM 1565 C VAL A 101 -0.135 -2.254 6.997 1.00 0.00 C ATOM 1566 O VAL A 101 0.538 -1.231 6.841 1.00 0.00 O ATOM 1567 CB VAL A 101 -0.664 -2.499 4.450 1.00 0.00 C ATOM 1568 CG1 VAL A 101 0.678 -3.204 4.145 1.00 0.00 C ATOM 1569 CG2 VAL A 101 -1.703 -3.004 3.431 1.00 0.00 C ATOM 0 H VAL A 101 -2.213 -0.873 6.154 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.343 -3.765 5.991 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.518 -1.423 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.956 -3.024 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.454 -2.810 4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.572 -4.276 4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.324 -2.853 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.887 -4.066 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.634 -2.451 3.556 1.00 0.00 H new ATOM 1579 N THR A 102 -0.024 -3.053 8.069 1.00 0.00 N ATOM 1580 CA THR A 102 0.899 -2.764 9.204 1.00 0.00 C ATOM 1581 C THR A 102 2.205 -3.558 8.922 1.00 0.00 C ATOM 1582 O THR A 102 2.349 -4.707 9.346 1.00 0.00 O ATOM 1583 CB THR A 102 0.209 -3.109 10.561 1.00 0.00 C ATOM 1584 OG1 THR A 102 -1.048 -2.448 10.666 1.00 0.00 O ATOM 1585 CG2 THR A 102 1.028 -2.720 11.803 1.00 0.00 C ATOM 0 H THR A 102 -0.561 -3.912 8.184 1.00 0.00 H new ATOM 0 HA THR A 102 1.151 -1.707 9.288 1.00 0.00 H new ATOM 0 HB THR A 102 0.103 -4.194 10.547 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.467 -2.677 11.522 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.477 -2.994 12.703 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.983 -3.245 11.788 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.205 -1.645 11.800 1.00 0.00 H new ATOM 1593 N GLU A 103 3.119 -2.940 8.149 1.00 0.00 N ATOM 1594 CA GLU A 103 4.291 -3.639 7.567 1.00 0.00 C ATOM 1595 C GLU A 103 5.567 -3.214 8.331 1.00 0.00 C ATOM 1596 O GLU A 103 5.912 -2.033 8.419 1.00 0.00 O ATOM 1597 CB GLU A 103 4.375 -3.341 6.048 1.00 0.00 C ATOM 1598 CG GLU A 103 5.393 -4.210 5.278 1.00 0.00 C ATOM 1599 CD GLU A 103 5.415 -3.909 3.778 1.00 0.00 C ATOM 1600 OE1 GLU A 103 6.134 -2.976 3.356 1.00 0.00 O ATOM 1601 OE2 GLU A 103 4.711 -4.602 3.012 1.00 0.00 O ATOM 0 H GLU A 103 3.071 -1.950 7.909 1.00 0.00 H new ATOM 0 HA GLU A 103 4.188 -4.719 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.388 -3.485 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.636 -2.292 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.388 -4.047 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.153 -5.262 5.429 1.00 0.00 H new ATOM 1608 N LEU A 104 6.278 -4.225 8.838 1.00 0.00 N ATOM 1609 CA LEU A 104 7.566 -4.054 9.548 1.00 0.00 C ATOM 1610 C LEU A 104 8.704 -4.045 8.481 1.00 0.00 C ATOM 1611 O LEU A 104 8.959 -5.058 7.823 1.00 0.00 O ATOM 1612 CB LEU A 104 7.641 -5.233 10.558 1.00 0.00 C ATOM 1613 CG LEU A 104 8.724 -5.274 11.669 1.00 0.00 C ATOM 1614 CD1 LEU A 104 8.854 -6.721 12.182 1.00 0.00 C ATOM 1615 CD2 LEU A 104 10.110 -4.731 11.301 1.00 0.00 C ATOM 0 H LEU A 104 5.980 -5.198 8.771 1.00 0.00 H new ATOM 0 HA LEU A 104 7.665 -3.120 10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.673 -5.287 11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.751 -6.146 9.973 1.00 0.00 H new ATOM 0 HG LEU A 104 8.367 -4.586 12.436 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.613 -6.763 12.964 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.897 -7.051 12.587 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.144 -7.374 11.359 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.774 -4.816 12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 104 10.517 -5.307 10.470 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.025 -3.684 11.010 1.00 0.00 H new ATOM 1627 N ASN A 105 9.363 -2.882 8.321 1.00 0.00 N ATOM 1628 CA ASN A 105 10.437 -2.677 7.304 1.00 0.00 C ATOM 1629 C ASN A 105 11.794 -2.399 8.021 1.00 0.00 C ATOM 1630 O ASN A 105 12.292 -1.267 8.029 1.00 0.00 O ATOM 1631 CB ASN A 105 10.055 -1.532 6.323 1.00 0.00 C ATOM 1632 CG ASN A 105 8.866 -1.811 5.386 1.00 0.00 C ATOM 1633 OD1 ASN A 105 9.010 -2.388 4.309 1.00 0.00 O ATOM 1634 ND2 ASN A 105 7.677 -1.400 5.789 1.00 0.00 N ATOM 0 H ASN A 105 9.174 -2.054 8.886 1.00 0.00 H new ATOM 0 HA ASN A 105 10.548 -3.584 6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.829 -0.640 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.927 -1.299 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 105 6.857 -1.559 5.204 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.579 -0.923 6.686 1.00 0.00 H new ATOM 1641 N GLY A 106 12.387 -3.440 8.640 1.00 0.00 N ATOM 1642 CA GLY A 106 13.633 -3.306 9.438 1.00 0.00 C ATOM 1643 C GLY A 106 13.503 -2.398 10.681 1.00 0.00 C ATOM 1644 O GLY A 106 13.922 -1.238 10.640 1.00 0.00 O ATOM 0 H GLY A 106 12.023 -4.392 8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.952 -4.297 9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.420 -2.911 8.796 1.00 0.00 H new ATOM 1648 N ASP A 107 12.871 -2.923 11.746 1.00 0.00 N ATOM 1649 CA ASP A 107 12.457 -2.149 12.957 1.00 0.00 C ATOM 1650 C ASP A 107 11.428 -0.971 12.775 1.00 0.00 C ATOM 1651 O ASP A 107 11.194 -0.228 13.731 1.00 0.00 O ATOM 1652 CB ASP A 107 13.702 -1.747 13.802 1.00 0.00 C ATOM 1653 CG ASP A 107 14.506 -2.910 14.404 1.00 0.00 C ATOM 1654 OD1 ASP A 107 13.992 -3.592 15.318 1.00 0.00 O ATOM 1655 OD2 ASP A 107 15.650 -3.148 13.960 1.00 0.00 O ATOM 0 H ASP A 107 12.624 -3.911 11.802 1.00 0.00 H new ATOM 0 HA ASP A 107 11.843 -2.858 13.512 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.369 -1.156 13.174 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.372 -1.099 14.614 1.00 0.00 H new ATOM 1660 N ILE A 108 10.798 -0.801 11.591 1.00 0.00 N ATOM 1661 CA ILE A 108 10.006 0.415 11.243 1.00 0.00 C ATOM 1662 C ILE A 108 8.559 -0.073 10.955 1.00 0.00 C ATOM 1663 O ILE A 108 8.292 -0.618 9.881 1.00 0.00 O ATOM 1664 CB ILE A 108 10.683 1.192 10.050 1.00 0.00 C ATOM 1665 CG1 ILE A 108 12.061 1.808 10.442 1.00 0.00 C ATOM 1666 CG2 ILE A 108 9.778 2.290 9.430 1.00 0.00 C ATOM 1667 CD1 ILE A 108 12.979 2.177 9.267 1.00 0.00 C ATOM 0 H ILE A 108 10.820 -1.498 10.846 1.00 0.00 H new ATOM 0 HA ILE A 108 9.973 1.143 12.054 1.00 0.00 H new ATOM 0 HB ILE A 108 10.844 0.429 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.883 2.704 11.036 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.587 1.100 11.083 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.309 2.782 8.616 1.00 0.00 H new ATOM 0 HG22 ILE A 108 8.865 1.835 9.045 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.523 3.025 10.193 1.00 0.00 H new ATOM 0 HD11 ILE A 108 13.909 2.596 9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 108 13.197 1.284 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.483 2.913 8.635 1.00 0.00 H new ATOM 1679 N ILE A 109 7.616 0.190 11.882 1.00 0.00 N ATOM 1680 CA ILE A 109 6.172 -0.134 11.676 1.00 0.00 C ATOM 1681 C ILE A 109 5.549 0.995 10.799 1.00 0.00 C ATOM 1682 O ILE A 109 5.274 2.099 11.279 1.00 0.00 O ATOM 1683 CB ILE A 109 5.406 -0.358 13.030 1.00 0.00 C ATOM 1684 CG1 ILE A 109 6.019 -1.459 13.941 1.00 0.00 C ATOM 1685 CG2 ILE A 109 3.888 -0.615 12.848 1.00 0.00 C ATOM 1686 CD1 ILE A 109 6.096 -2.881 13.365 1.00 0.00 C ATOM 0 H ILE A 109 7.818 0.625 12.782 1.00 0.00 H new ATOM 0 HA ILE A 109 6.077 -1.086 11.155 1.00 0.00 H new ATOM 0 HB ILE A 109 5.533 0.596 13.542 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.028 -1.149 14.214 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.438 -1.498 14.862 1.00 0.00 H new ATOM 0 HG21 ILE A 109 3.424 -0.761 13.824 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.431 0.242 12.353 1.00 0.00 H new ATOM 0 HG23 ILE A 109 3.740 -1.507 12.239 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.543 -3.548 14.102 1.00 0.00 H new ATOM 0 HD12 ILE A 109 5.092 -3.230 13.121 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.707 -2.875 12.463 1.00 0.00 H new ATOM 1698 N THR A 110 5.327 0.669 9.514 1.00 0.00 N ATOM 1699 CA THR A 110 4.699 1.585 8.535 1.00 0.00 C ATOM 1700 C THR A 110 3.232 1.107 8.347 1.00 0.00 C ATOM 1701 O THR A 110 2.966 0.153 7.609 1.00 0.00 O ATOM 1702 CB THR A 110 5.530 1.605 7.216 1.00 0.00 C ATOM 1703 OG1 THR A 110 6.842 2.090 7.481 1.00 0.00 O ATOM 1704 CG2 THR A 110 4.946 2.489 6.098 1.00 0.00 C ATOM 0 H THR A 110 5.577 -0.238 9.120 1.00 0.00 H new ATOM 0 HA THR A 110 4.684 2.619 8.881 1.00 0.00 H new ATOM 0 HB THR A 110 5.519 0.573 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.361 2.099 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.591 2.440 5.221 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.950 2.133 5.836 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.883 3.520 6.445 1.00 0.00 H new ATOM 1712 N ASN A 111 2.296 1.791 9.025 1.00 0.00 N ATOM 1713 CA ASN A 111 0.846 1.471 8.975 1.00 0.00 C ATOM 1714 C ASN A 111 0.178 2.377 7.907 1.00 0.00 C ATOM 1715 O ASN A 111 0.056 3.591 8.092 1.00 0.00 O ATOM 1716 CB ASN A 111 0.289 1.594 10.421 1.00 0.00 C ATOM 1717 CG ASN A 111 -1.241 1.640 10.579 1.00 0.00 C ATOM 1718 OD1 ASN A 111 -1.846 2.708 10.501 1.00 0.00 O ATOM 1719 ND2 ASN A 111 -1.887 0.509 10.796 1.00 0.00 N ATOM 0 H ASN A 111 2.516 2.585 9.627 1.00 0.00 H new ATOM 0 HA ASN A 111 0.629 0.452 8.655 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.664 0.751 11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.703 2.498 10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.902 0.513 10.901 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -1.371 -0.369 10.858 1.00 0.00 H new ATOM 1726 N THR A 112 -0.249 1.740 6.803 1.00 0.00 N ATOM 1727 CA THR A 112 -0.792 2.433 5.609 1.00 0.00 C ATOM 1728 C THR A 112 -2.318 2.130 5.541 1.00 0.00 C ATOM 1729 O THR A 112 -2.731 1.088 5.022 1.00 0.00 O ATOM 1730 CB THR A 112 0.012 1.987 4.351 1.00 0.00 C ATOM 1731 OG1 THR A 112 1.405 2.236 4.535 1.00 0.00 O ATOM 1732 CG2 THR A 112 -0.403 2.723 3.069 1.00 0.00 C ATOM 0 H THR A 112 -0.229 0.725 6.708 1.00 0.00 H new ATOM 0 HA THR A 112 -0.680 3.516 5.662 1.00 0.00 H new ATOM 0 HB THR A 112 -0.203 0.924 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 112 1.897 1.949 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.197 2.364 2.233 1.00 0.00 H new ATOM 0 HG22 THR A 112 -1.457 2.535 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.243 3.794 3.196 1.00 0.00 H new ATOM 1740 N MET A 113 -3.136 3.059 6.067 1.00 0.00 N ATOM 1741 CA MET A 113 -4.618 2.936 6.085 1.00 0.00 C ATOM 1742 C MET A 113 -5.235 3.834 4.985 1.00 0.00 C ATOM 1743 O MET A 113 -5.081 5.059 5.014 1.00 0.00 O ATOM 1744 CB MET A 113 -5.175 3.339 7.475 1.00 0.00 C ATOM 1745 CG MET A 113 -5.046 2.275 8.560 1.00 0.00 C ATOM 1746 SD MET A 113 -6.146 2.730 9.915 1.00 0.00 S ATOM 1747 CE MET A 113 -5.003 2.668 11.289 1.00 0.00 C ATOM 0 H MET A 113 -2.795 3.920 6.494 1.00 0.00 H new ATOM 0 HA MET A 113 -4.887 1.898 5.889 1.00 0.00 H new ATOM 0 HB2 MET A 113 -4.659 4.239 7.808 1.00 0.00 H new ATOM 0 HB3 MET A 113 -6.228 3.598 7.366 1.00 0.00 H new ATOM 0 HG2 MET A 113 -5.311 1.294 8.166 1.00 0.00 H new ATOM 0 HG3 MET A 113 -4.016 2.210 8.910 1.00 0.00 H new ATOM 0 HE1 MET A 113 -5.527 2.925 12.210 1.00 0.00 H new ATOM 0 HE2 MET A 113 -4.591 1.662 11.375 1.00 0.00 H new ATOM 0 HE3 MET A 113 -4.194 3.378 11.121 1.00 0.00 H new ATOM 1757 N THR A 114 -5.957 3.209 4.038 1.00 0.00 N ATOM 1758 CA THR A 114 -6.624 3.929 2.920 1.00 0.00 C ATOM 1759 C THR A 114 -8.160 3.828 3.134 1.00 0.00 C ATOM 1760 O THR A 114 -8.750 2.752 3.002 1.00 0.00 O ATOM 1761 CB THR A 114 -6.147 3.376 1.549 1.00 0.00 C ATOM 1762 OG1 THR A 114 -4.726 3.450 1.456 1.00 0.00 O ATOM 1763 CG2 THR A 114 -6.717 4.137 0.337 1.00 0.00 C ATOM 0 H THR A 114 -6.099 2.199 4.019 1.00 0.00 H new ATOM 0 HA THR A 114 -6.352 4.985 2.912 1.00 0.00 H new ATOM 0 HB THR A 114 -6.511 2.349 1.514 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.436 3.097 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 114 -6.338 3.692 -0.583 1.00 0.00 H new ATOM 0 HG22 THR A 114 -7.805 4.076 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 114 -6.411 5.182 0.387 1.00 0.00 H new ATOM 1771 N LEU A 115 -8.793 4.983 3.415 1.00 0.00 N ATOM 1772 CA LEU A 115 -10.270 5.099 3.573 1.00 0.00 C ATOM 1773 C LEU A 115 -10.968 5.018 2.180 1.00 0.00 C ATOM 1774 O LEU A 115 -11.385 3.928 1.777 1.00 0.00 O ATOM 1775 CB LEU A 115 -10.583 6.353 4.453 1.00 0.00 C ATOM 1776 CG LEU A 115 -12.075 6.725 4.691 1.00 0.00 C ATOM 1777 CD1 LEU A 115 -12.886 5.614 5.381 1.00 0.00 C ATOM 1778 CD2 LEU A 115 -12.183 8.033 5.496 1.00 0.00 C ATOM 0 H LEU A 115 -8.301 5.868 3.541 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.700 4.259 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.117 6.202 5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.094 7.213 3.995 1.00 0.00 H new ATOM 0 HG LEU A 115 -12.512 6.860 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -13.916 5.945 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.870 4.715 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.447 5.394 6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -13.233 8.278 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.691 7.908 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.701 8.840 4.945 1.00 0.00 H new ATOM 1790 N GLY A 116 -11.044 6.143 1.448 1.00 0.00 N ATOM 1791 CA GLY A 116 -11.416 6.163 0.016 1.00 0.00 C ATOM 1792 C GLY A 116 -10.158 6.371 -0.843 1.00 0.00 C ATOM 1793 O GLY A 116 -9.665 5.422 -1.459 1.00 0.00 O ATOM 0 H GLY A 116 -10.849 7.068 1.831 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -11.903 5.227 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -12.133 6.962 -0.172 1.00 0.00 H new ATOM 1797 N ASP A 117 -9.626 7.608 -0.831 1.00 0.00 N ATOM 1798 CA ASP A 117 -8.227 7.877 -1.260 1.00 0.00 C ATOM 1799 C ASP A 117 -7.572 8.910 -0.286 1.00 0.00 C ATOM 1800 O ASP A 117 -7.162 10.003 -0.692 1.00 0.00 O ATOM 1801 CB ASP A 117 -8.206 8.275 -2.765 1.00 0.00 C ATOM 1802 CG ASP A 117 -6.809 8.278 -3.403 1.00 0.00 C ATOM 1803 OD1 ASP A 117 -6.282 7.186 -3.711 1.00 0.00 O ATOM 1804 OD2 ASP A 117 -6.233 9.372 -3.596 1.00 0.00 O ATOM 0 H ASP A 117 -10.136 8.439 -0.531 1.00 0.00 H new ATOM 0 HA ASP A 117 -7.609 6.982 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -8.843 7.586 -3.319 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -8.642 9.268 -2.871 1.00 0.00 H new ATOM 1809 N ILE A 118 -7.440 8.523 1.000 1.00 0.00 N ATOM 1810 CA ILE A 118 -6.640 9.265 2.014 1.00 0.00 C ATOM 1811 C ILE A 118 -5.588 8.227 2.480 1.00 0.00 C ATOM 1812 O ILE A 118 -5.912 7.324 3.259 1.00 0.00 O ATOM 1813 CB ILE A 118 -7.495 9.845 3.198 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -8.579 10.845 2.700 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -6.580 10.506 4.267 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -9.582 11.343 3.754 1.00 0.00 C ATOM 0 H ILE A 118 -7.885 7.684 1.372 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.188 10.163 1.594 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.018 9.008 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -8.075 11.711 2.272 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.138 10.370 1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.193 10.901 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.889 9.763 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.015 11.319 3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.286 12.033 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -10.126 10.494 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.046 11.856 4.553 1.00 0.00 H new ATOM 1828 N VAL A 119 -4.329 8.391 2.034 1.00 0.00 N ATOM 1829 CA VAL A 119 -3.223 7.454 2.385 1.00 0.00 C ATOM 1830 C VAL A 119 -2.608 7.955 3.728 1.00 0.00 C ATOM 1831 O VAL A 119 -1.718 8.813 3.745 1.00 0.00 O ATOM 1832 CB VAL A 119 -2.191 7.301 1.212 1.00 0.00 C ATOM 1833 CG1 VAL A 119 -1.026 6.342 1.556 1.00 0.00 C ATOM 1834 CG2 VAL A 119 -2.828 6.799 -0.109 1.00 0.00 C ATOM 0 H VAL A 119 -4.043 9.161 1.429 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.593 6.439 2.530 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.813 8.314 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -0.346 6.277 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -0.487 6.721 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.424 5.352 1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -2.058 6.716 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -3.283 5.822 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.592 7.505 -0.436 1.00 0.00 H new ATOM 1844 N PHE A 120 -3.096 7.380 4.843 1.00 0.00 N ATOM 1845 CA PHE A 120 -2.559 7.640 6.198 1.00 0.00 C ATOM 1846 C PHE A 120 -1.314 6.742 6.435 1.00 0.00 C ATOM 1847 O PHE A 120 -1.470 5.556 6.729 1.00 0.00 O ATOM 1848 CB PHE A 120 -3.687 7.429 7.249 1.00 0.00 C ATOM 1849 CG PHE A 120 -3.247 7.546 8.722 1.00 0.00 C ATOM 1850 CD1 PHE A 120 -2.846 8.784 9.228 1.00 0.00 C ATOM 1851 CD2 PHE A 120 -3.122 6.406 9.527 1.00 0.00 C ATOM 1852 CE1 PHE A 120 -2.303 8.883 10.503 1.00 0.00 C ATOM 1853 CE2 PHE A 120 -2.594 6.509 10.810 1.00 0.00 C ATOM 1854 CZ PHE A 120 -2.178 7.748 11.296 1.00 0.00 C ATOM 0 H PHE A 120 -3.874 6.721 4.833 1.00 0.00 H new ATOM 0 HA PHE A 120 -2.227 8.673 6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -4.475 8.159 7.063 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -4.124 6.442 7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -2.959 9.672 8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -3.437 5.444 9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.978 9.842 10.878 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.506 5.629 11.430 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.759 7.826 12.288 1.00 0.00 H new ATOM 1864 N LYS A 121 -0.104 7.319 6.320 1.00 0.00 N ATOM 1865 CA LYS A 121 1.164 6.547 6.402 1.00 0.00 C ATOM 1866 C LYS A 121 1.965 6.971 7.666 1.00 0.00 C ATOM 1867 O LYS A 121 2.603 8.028 7.698 1.00 0.00 O ATOM 1868 CB LYS A 121 1.955 6.709 5.076 1.00 0.00 C ATOM 1869 CG LYS A 121 3.138 5.722 4.932 1.00 0.00 C ATOM 1870 CD LYS A 121 3.853 5.754 3.567 1.00 0.00 C ATOM 1871 CE LYS A 121 4.696 7.018 3.318 1.00 0.00 C ATOM 1872 NZ LYS A 121 5.383 6.960 2.016 1.00 0.00 N ATOM 0 H LYS A 121 0.030 8.319 6.170 1.00 0.00 H new ATOM 0 HA LYS A 121 0.960 5.482 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.273 6.570 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.335 7.729 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 121 3.868 5.938 5.712 1.00 0.00 H new ATOM 0 HG3 LYS A 121 2.771 4.711 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 121 4.500 4.880 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 121 3.106 5.669 2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 121 4.054 7.898 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 121 5.432 7.129 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.942 7.826 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.014 6.134 1.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.679 6.879 1.255 1.00 0.00 H new ATOM 1886 N ARG A 122 1.965 6.090 8.681 1.00 0.00 N ATOM 1887 CA ARG A 122 2.865 6.203 9.863 1.00 0.00 C ATOM 1888 C ARG A 122 4.325 5.767 9.526 1.00 0.00 C ATOM 1889 O ARG A 122 4.550 4.966 8.616 1.00 0.00 O ATOM 1890 CB ARG A 122 2.308 5.305 11.004 1.00 0.00 C ATOM 1891 CG ARG A 122 1.084 5.874 11.755 1.00 0.00 C ATOM 1892 CD ARG A 122 0.665 4.988 12.945 1.00 0.00 C ATOM 1893 NE ARG A 122 -0.419 5.615 13.744 1.00 0.00 N ATOM 1894 CZ ARG A 122 -1.587 5.026 14.071 1.00 0.00 C ATOM 1895 NH1 ARG A 122 -1.945 3.804 13.685 1.00 0.00 N ATOM 1896 NH2 ARG A 122 -2.436 5.708 14.816 1.00 0.00 N ATOM 0 H ARG A 122 1.347 5.279 8.714 1.00 0.00 H new ATOM 0 HA ARG A 122 2.895 7.248 10.172 1.00 0.00 H new ATOM 0 HB2 ARG A 122 2.037 4.337 10.583 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.105 5.127 11.725 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.315 6.877 12.115 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.247 5.969 11.063 1.00 0.00 H new ATOM 0 HD2 ARG A 122 0.331 4.018 12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.529 4.805 13.584 1.00 0.00 H new ATOM 0 HE ARG A 122 -0.267 6.569 14.072 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.318 3.249 13.103 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -2.846 3.422 13.971 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.199 6.651 15.126 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.329 5.293 15.082 1.00 0.00 H new ATOM 1910 N ILE A 123 5.304 6.282 10.296 1.00 0.00 N ATOM 1911 CA ILE A 123 6.713 5.780 10.274 1.00 0.00 C ATOM 1912 C ILE A 123 7.118 5.635 11.771 1.00 0.00 C ATOM 1913 O ILE A 123 7.406 6.642 12.426 1.00 0.00 O ATOM 1914 CB ILE A 123 7.713 6.705 9.481 1.00 0.00 C ATOM 1915 CG1 ILE A 123 7.305 7.044 8.016 1.00 0.00 C ATOM 1916 CG2 ILE A 123 9.184 6.206 9.518 1.00 0.00 C ATOM 1917 CD1 ILE A 123 7.317 5.885 7.013 1.00 0.00 C ATOM 0 H ILE A 123 5.154 7.051 10.949 1.00 0.00 H new ATOM 0 HA ILE A 123 6.767 4.834 9.735 1.00 0.00 H new ATOM 0 HB ILE A 123 7.645 7.638 10.040 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.302 7.470 8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.975 7.820 7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 123 9.815 6.891 8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.528 6.165 10.551 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.242 5.211 9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 123 7.015 6.250 6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 123 8.322 5.468 6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.623 5.112 7.342 1.00 0.00 H new ATOM 1929 N SER A 124 7.186 4.393 12.289 1.00 0.00 N ATOM 1930 CA SER A 124 7.721 4.125 13.658 1.00 0.00 C ATOM 1931 C SER A 124 9.229 3.701 13.642 1.00 0.00 C ATOM 1932 O SER A 124 9.875 3.646 12.590 1.00 0.00 O ATOM 1933 CB SER A 124 6.787 3.123 14.385 1.00 0.00 C ATOM 1934 OG SER A 124 6.850 3.320 15.789 1.00 0.00 O ATOM 0 H SER A 124 6.881 3.557 11.791 1.00 0.00 H new ATOM 0 HA SER A 124 7.718 5.051 14.233 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.762 3.254 14.038 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.078 2.101 14.141 1.00 0.00 H new ATOM 0 HG SER A 124 6.144 2.798 16.225 1.00 0.00 H new ATOM 1940 N LYS A 125 9.806 3.455 14.833 1.00 0.00 N ATOM 1941 CA LYS A 125 11.235 3.066 15.002 1.00 0.00 C ATOM 1942 C LYS A 125 11.368 2.351 16.373 1.00 0.00 C ATOM 1943 O LYS A 125 10.932 2.890 17.396 1.00 0.00 O ATOM 1944 CB LYS A 125 12.161 4.312 14.927 1.00 0.00 C ATOM 1945 CG LYS A 125 13.678 4.024 14.944 1.00 0.00 C ATOM 1946 CD LYS A 125 14.522 5.299 14.768 1.00 0.00 C ATOM 1947 CE LYS A 125 16.031 5.027 14.890 1.00 0.00 C ATOM 1948 NZ LYS A 125 16.820 6.248 14.657 1.00 0.00 N ATOM 0 H LYS A 125 9.298 3.519 15.715 1.00 0.00 H new ATOM 0 HA LYS A 125 11.543 2.396 14.199 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.925 4.862 14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.925 4.967 15.765 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.943 3.544 15.886 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.920 3.319 14.148 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.313 5.738 13.792 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.226 6.033 15.518 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.252 4.634 15.882 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.323 4.261 14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 17.833 6.029 14.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.627 6.609 13.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 16.558 6.970 15.359 1.00 0.00 H new ATOM 1962 N ARG A 126 12.025 1.173 16.411 1.00 0.00 N ATOM 1963 CA ARG A 126 12.210 0.403 17.672 1.00 0.00 C ATOM 1964 C ARG A 126 13.292 1.063 18.575 1.00 0.00 C ATOM 1965 O ARG A 126 14.459 1.169 18.183 1.00 0.00 O ATOM 1966 CB ARG A 126 12.536 -1.085 17.382 1.00 0.00 C ATOM 1967 CG ARG A 126 12.261 -2.011 18.587 1.00 0.00 C ATOM 1968 CD ARG A 126 12.666 -3.477 18.337 1.00 0.00 C ATOM 1969 NE ARG A 126 12.331 -4.358 19.484 1.00 0.00 N ATOM 1970 CZ ARG A 126 13.089 -4.518 20.588 1.00 0.00 C ATOM 1971 NH1 ARG A 126 14.260 -3.915 20.784 1.00 0.00 N ATOM 1972 NH2 ARG A 126 12.639 -5.320 21.535 1.00 0.00 N ATOM 0 H ARG A 126 12.437 0.731 15.590 1.00 0.00 H new ATOM 0 HA ARG A 126 11.268 0.425 18.219 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.944 -1.421 16.531 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.584 -1.172 17.096 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.802 -1.635 19.455 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.199 -1.972 18.831 1.00 0.00 H new ATOM 0 HD2 ARG A 126 12.163 -3.843 17.442 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.738 -3.528 18.144 1.00 0.00 H new ATOM 0 HE ARG A 126 11.459 -4.884 19.433 1.00 0.00 H new ATOM 0 HH11 ARG A 126 14.635 -3.286 20.074 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.782 -4.082 21.644 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.744 -5.795 21.418 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.186 -5.464 22.384 1.00 0.00 H new ATOM 1986 N ILE A 127 12.868 1.503 19.773 1.00 0.00 N ATOM 1987 CA ILE A 127 13.748 2.195 20.749 1.00 0.00 C ATOM 1988 C ILE A 127 13.661 1.318 22.008 1.00 0.00 C ATOM 1989 O ILE A 127 14.571 0.543 22.305 1.00 0.00 O ATOM 1990 CB ILE A 127 13.313 3.684 20.999 1.00 0.00 C ATOM 1991 CG1 ILE A 127 13.204 4.577 19.722 1.00 0.00 C ATOM 1992 CG2 ILE A 127 14.187 4.401 22.057 1.00 0.00 C ATOM 1993 CD1 ILE A 127 14.469 4.757 18.865 1.00 0.00 C ATOM 0 H ILE A 127 11.907 1.392 20.098 1.00 0.00 H new ATOM 0 HA ILE A 127 14.774 2.294 20.393 1.00 0.00 H new ATOM 0 HB ILE A 127 12.300 3.570 21.384 1.00 0.00 H new ATOM 0 HG12 ILE A 127 12.425 4.158 19.085 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.865 5.566 20.032 1.00 0.00 H new ATOM 0 HG21 ILE A 127 13.837 5.425 22.185 1.00 0.00 H new ATOM 0 HG22 ILE A 127 14.115 3.872 23.007 1.00 0.00 H new ATOM 0 HG23 ILE A 127 15.225 4.411 21.725 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.244 5.400 18.014 1.00 0.00 H new ATOM 0 HD12 ILE A 127 15.254 5.214 19.467 1.00 0.00 H new ATOM 0 HD13 ILE A 127 14.807 3.785 18.506 1.00 0.00 H new TER 2005 ILE A 127