USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 855 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 100 GLN : amide:sc= 0.178 X(o=0.18,f=-0.031) USER MOD Set 1.2: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 53 SER OG : rot 180:sc= -0.544 USER MOD Set 3.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 83 ASN : amide:sc= -1.53! K(o=-1.5!,f=-0.073) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0368) USER MOD Single : A 19 SER OG : rot 63:sc= 0.672 USER MOD Single : A 20 ASN : amide:sc= 0.241 K(o=0.24,f=-2.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -47:sc= -0.487 USER MOD Single : A 30 GLN : amide:sc= 0.32 K(o=0.32,f=-0.53) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 16:sc= 0.466 USER MOD Single : A 46 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.26) USER MOD Single : A 52 SER OG : rot -52:sc= 0.292 USER MOD Single : A 58 TYR OH : rot 107:sc= -0.584 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.375 USER MOD Single : A 65 SER OG : rot 54:sc= -0.23 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.346) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0568 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.472 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.89 X(o=-0.89,f=-1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 144:sc= -1.66 (180deg=-6.48!) USER MOD Single : A 95 TYR OH : rot -30:sc= -1.28 USER MOD Single : A 96 HIS : no HD1:sc= -3.39! X(o=-3.4!,f=-2.9) USER MOD Single : A 98 LYS NZ :NH3+ -119:sc= 0.00941 (180deg=-0.0481) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.76! C(o=-1.8!,f=-1.1!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 50:sc= -1.31 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -168:sc= -0.098 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot 180:sc= 0.0565 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 9.413 -24.757 -6.723 1.00 0.00 N ATOM 67 CA ASP A 8 9.521 -23.891 -5.554 1.00 0.00 C ATOM 68 C ASP A 8 10.422 -22.696 -5.844 1.00 0.00 C ATOM 69 O ASP A 8 10.114 -21.567 -5.462 1.00 0.00 O ATOM 70 CB ASP A 8 10.064 -24.677 -4.360 1.00 0.00 C ATOM 71 CG ASP A 8 9.133 -25.795 -3.931 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.903 -25.582 -3.946 1.00 0.00 O ATOM 73 OD2 ASP A 8 9.636 -26.883 -3.581 1.00 0.00 O ATOM 0 HA ASP A 8 8.524 -23.521 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.037 -25.097 -4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 8 10.221 -23.997 -3.522 1.00 0.00 H new ATOM 78 N GLU A 9 11.537 -22.952 -6.521 1.00 0.00 N ATOM 79 CA GLU A 9 12.484 -21.896 -6.860 1.00 0.00 C ATOM 80 C GLU A 9 11.753 -20.609 -7.234 1.00 0.00 C ATOM 81 O GLU A 9 12.187 -19.513 -6.880 1.00 0.00 O ATOM 82 CB GLU A 9 13.383 -22.339 -8.017 1.00 0.00 C ATOM 83 CG GLU A 9 14.345 -23.455 -7.647 1.00 0.00 C ATOM 84 CD GLU A 9 15.292 -23.807 -8.777 1.00 0.00 C ATOM 85 OE1 GLU A 9 15.927 -22.883 -9.328 1.00 0.00 O ATOM 86 OE2 GLU A 9 15.399 -25.006 -9.111 1.00 0.00 O ATOM 0 H GLU A 9 11.807 -23.881 -6.845 1.00 0.00 H new ATOM 0 HA GLU A 9 13.101 -21.701 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.757 -22.670 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.954 -21.481 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.924 -23.156 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.776 -24.341 -7.365 1.00 0.00 H new ATOM 93 N GLU A 10 10.643 -20.753 -7.951 1.00 0.00 N ATOM 94 CA GLU A 10 9.853 -19.602 -8.373 1.00 0.00 C ATOM 95 C GLU A 10 9.168 -18.945 -7.178 1.00 0.00 C ATOM 96 O GLU A 10 9.175 -17.721 -7.039 1.00 0.00 O ATOM 97 CB GLU A 10 8.807 -20.025 -9.406 1.00 0.00 C ATOM 98 CG GLU A 10 9.372 -20.205 -10.805 1.00 0.00 C ATOM 99 CD GLU A 10 8.334 -19.979 -11.887 1.00 0.00 C ATOM 100 OE1 GLU A 10 7.428 -20.826 -12.028 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.428 -18.953 -12.593 1.00 0.00 O ATOM 0 H GLU A 10 10.271 -21.654 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 10 10.528 -18.876 -8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.349 -20.961 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.015 -19.277 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.200 -19.511 -10.950 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.779 -21.212 -10.902 1.00 0.00 H new ATOM 108 N THR A 11 8.574 -19.767 -6.318 1.00 0.00 N ATOM 109 CA THR A 11 7.882 -19.267 -5.137 1.00 0.00 C ATOM 110 C THR A 11 8.792 -18.369 -4.306 1.00 0.00 C ATOM 111 O THR A 11 8.374 -17.313 -3.832 1.00 0.00 O ATOM 112 CB THR A 11 7.374 -20.422 -4.253 1.00 0.00 C ATOM 113 OG1 THR A 11 6.368 -21.166 -4.951 1.00 0.00 O ATOM 114 CG2 THR A 11 6.804 -19.892 -2.946 1.00 0.00 C ATOM 0 H THR A 11 8.559 -20.782 -6.418 1.00 0.00 H new ATOM 0 HA THR A 11 7.029 -18.688 -5.491 1.00 0.00 H new ATOM 0 HB THR A 11 8.217 -21.075 -4.025 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.051 -21.900 -4.384 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.452 -20.725 -2.338 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.579 -19.350 -2.404 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.972 -19.220 -3.158 1.00 0.00 H new ATOM 122 N LYS A 12 10.038 -18.795 -4.133 1.00 0.00 N ATOM 123 CA LYS A 12 11.009 -18.029 -3.360 1.00 0.00 C ATOM 124 C LYS A 12 11.177 -16.626 -3.936 1.00 0.00 C ATOM 125 O LYS A 12 10.929 -15.632 -3.255 1.00 0.00 O ATOM 126 CB LYS A 12 12.359 -18.749 -3.341 1.00 0.00 C ATOM 127 CG LYS A 12 12.439 -19.863 -2.312 1.00 0.00 C ATOM 128 CD LYS A 12 13.866 -20.354 -2.132 1.00 0.00 C ATOM 129 CE LYS A 12 13.982 -21.309 -0.953 1.00 0.00 C ATOM 130 NZ LYS A 12 13.902 -20.593 0.350 1.00 0.00 N ATOM 0 H LYS A 12 10.400 -19.667 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 12 10.637 -17.942 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.554 -19.164 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.146 -18.022 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.053 -19.506 -1.357 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.804 -20.693 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.197 -20.855 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.528 -19.502 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.187 -22.053 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.927 -21.848 -1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.136 -21.250 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.576 -19.801 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.938 -20.228 0.487 1.00 0.00 H new ATOM 144 N ALA A 13 11.598 -16.555 -5.194 1.00 0.00 N ATOM 145 CA ALA A 13 11.796 -15.274 -5.862 1.00 0.00 C ATOM 146 C ALA A 13 10.598 -14.354 -5.651 1.00 0.00 C ATOM 147 O ALA A 13 10.748 -13.136 -5.557 1.00 0.00 O ATOM 148 CB ALA A 13 12.045 -15.487 -7.348 1.00 0.00 C ATOM 0 H ALA A 13 11.809 -17.369 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 13 12.671 -14.794 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.191 -14.523 -7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.936 -16.100 -7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.187 -15.991 -7.792 1.00 0.00 H new ATOM 154 N PHE A 14 9.410 -14.945 -5.577 1.00 0.00 N ATOM 155 CA PHE A 14 8.186 -14.178 -5.379 1.00 0.00 C ATOM 156 C PHE A 14 8.086 -13.676 -3.941 1.00 0.00 C ATOM 157 O PHE A 14 7.663 -12.547 -3.695 1.00 0.00 O ATOM 158 CB PHE A 14 6.963 -15.032 -5.720 1.00 0.00 C ATOM 159 CG PHE A 14 6.552 -14.942 -7.161 1.00 0.00 C ATOM 160 CD1 PHE A 14 6.007 -13.773 -7.669 1.00 0.00 C ATOM 161 CD2 PHE A 14 6.711 -16.026 -8.010 1.00 0.00 C ATOM 162 CE1 PHE A 14 5.628 -13.689 -8.995 1.00 0.00 C ATOM 163 CE2 PHE A 14 6.334 -15.947 -9.337 1.00 0.00 C ATOM 164 CZ PHE A 14 5.793 -14.776 -9.830 1.00 0.00 C ATOM 0 H PHE A 14 9.269 -15.952 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 14 8.215 -13.316 -6.045 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.177 -16.073 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.127 -14.723 -5.092 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.877 -12.919 -7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.135 -16.944 -7.630 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.203 -12.773 -9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.462 -16.800 -9.987 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.499 -14.711 -10.867 1.00 0.00 H new ATOM 174 N GLU A 15 8.477 -14.525 -2.996 1.00 0.00 N ATOM 175 CA GLU A 15 8.429 -14.169 -1.583 1.00 0.00 C ATOM 176 C GLU A 15 9.307 -12.953 -1.298 1.00 0.00 C ATOM 177 O GLU A 15 9.028 -12.172 -0.390 1.00 0.00 O ATOM 178 CB GLU A 15 8.880 -15.350 -0.720 1.00 0.00 C ATOM 179 CG GLU A 15 7.926 -16.532 -0.761 1.00 0.00 C ATOM 180 CD GLU A 15 8.077 -17.445 0.440 1.00 0.00 C ATOM 181 OE1 GLU A 15 9.220 -17.852 0.735 1.00 0.00 O ATOM 182 OE2 GLU A 15 7.053 -17.752 1.085 1.00 0.00 O ATOM 0 H GLU A 15 8.830 -15.463 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 15 7.398 -13.919 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.865 -15.677 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.987 -15.015 0.312 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.901 -16.165 -0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.101 -17.104 -1.672 1.00 0.00 H new ATOM 189 N ALA A 16 10.370 -12.802 -2.082 1.00 0.00 N ATOM 190 CA ALA A 16 11.288 -11.682 -1.916 1.00 0.00 C ATOM 191 C ALA A 16 10.900 -10.516 -2.819 1.00 0.00 C ATOM 192 O ALA A 16 10.874 -9.363 -2.385 1.00 0.00 O ATOM 193 CB ALA A 16 12.716 -12.123 -2.205 1.00 0.00 C ATOM 0 H ALA A 16 10.616 -13.441 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 16 11.226 -11.343 -0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.391 -11.277 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.998 -12.919 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.783 -12.489 -3.229 1.00 0.00 H new ATOM 199 N LEU A 17 10.600 -10.822 -4.076 1.00 0.00 N ATOM 200 CA LEU A 17 10.213 -9.798 -5.041 1.00 0.00 C ATOM 201 C LEU A 17 8.931 -9.096 -4.606 1.00 0.00 C ATOM 202 O LEU A 17 8.879 -7.868 -4.526 1.00 0.00 O ATOM 203 CB LEU A 17 10.023 -10.420 -6.426 1.00 0.00 C ATOM 204 CG LEU A 17 9.174 -9.616 -7.411 1.00 0.00 C ATOM 205 CD1 LEU A 17 9.998 -8.506 -8.044 1.00 0.00 C ATOM 206 CD2 LEU A 17 8.594 -10.528 -8.483 1.00 0.00 C ATOM 0 H LEU A 17 10.617 -11.770 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 17 11.012 -9.058 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.006 -10.578 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.567 -11.402 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 17 8.349 -9.161 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.377 -7.945 -8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.365 -7.837 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.843 -8.940 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.993 -9.939 -9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.405 -11.011 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.968 -11.288 -8.015 1.00 0.00 H new ATOM 218 N LEU A 18 7.898 -9.883 -4.324 1.00 0.00 N ATOM 219 CA LEU A 18 6.616 -9.337 -3.894 1.00 0.00 C ATOM 220 C LEU A 18 6.778 -8.490 -2.636 1.00 0.00 C ATOM 221 O LEU A 18 5.965 -7.608 -2.360 1.00 0.00 O ATOM 222 CB LEU A 18 5.619 -10.468 -3.635 1.00 0.00 C ATOM 223 CG LEU A 18 5.161 -11.254 -4.865 1.00 0.00 C ATOM 224 CD1 LEU A 18 4.447 -12.530 -4.447 1.00 0.00 C ATOM 225 CD2 LEU A 18 4.259 -10.397 -5.740 1.00 0.00 C ATOM 0 H LEU A 18 7.924 -10.901 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 18 6.235 -8.700 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.068 -11.166 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.739 -10.046 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 18 6.041 -11.529 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.128 -13.076 -5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.125 -13.152 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.575 -12.278 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.943 -10.972 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.382 -10.091 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.805 -9.512 -6.069 1.00 0.00 H new ATOM 237 N SER A 19 7.836 -8.762 -1.878 1.00 0.00 N ATOM 238 CA SER A 19 8.105 -8.026 -0.649 1.00 0.00 C ATOM 239 C SER A 19 9.262 -7.051 -0.841 1.00 0.00 C ATOM 240 O SER A 19 9.994 -6.745 0.099 1.00 0.00 O ATOM 241 CB SER A 19 8.423 -8.995 0.492 1.00 0.00 C ATOM 242 OG SER A 19 9.809 -9.289 0.538 1.00 0.00 O ATOM 0 H SER A 19 8.520 -9.487 -2.094 1.00 0.00 H new ATOM 0 HA SER A 19 7.212 -7.456 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.108 -8.561 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.856 -9.917 0.360 1.00 0.00 H new ATOM 0 HG SER A 19 10.311 -8.470 0.730 1.00 0.00 H new ATOM 248 N ASN A 20 9.421 -6.566 -2.069 1.00 0.00 N ATOM 249 CA ASN A 20 10.489 -5.625 -2.386 1.00 0.00 C ATOM 250 C ASN A 20 9.922 -4.331 -2.962 1.00 0.00 C ATOM 251 O ASN A 20 10.589 -3.635 -3.727 1.00 0.00 O ATOM 252 CB ASN A 20 11.469 -6.252 -3.381 1.00 0.00 C ATOM 253 CG ASN A 20 12.872 -5.695 -3.238 1.00 0.00 C ATOM 254 OD1 ASN A 20 13.164 -4.948 -2.304 1.00 0.00 O ATOM 255 ND2 ASN A 20 13.749 -6.057 -4.167 1.00 0.00 N ATOM 0 H ASN A 20 8.824 -6.809 -2.860 1.00 0.00 H new ATOM 0 HA ASN A 20 11.018 -5.389 -1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 20 11.493 -7.332 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.113 -6.078 -4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.709 -5.714 -4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.463 -6.678 -4.924 1.00 0.00 H new ATOM 262 N ILE A 21 8.687 -4.015 -2.587 1.00 0.00 N ATOM 263 CA ILE A 21 8.031 -2.804 -3.064 1.00 0.00 C ATOM 264 C ILE A 21 8.283 -1.634 -2.119 1.00 0.00 C ATOM 265 O ILE A 21 9.032 -1.755 -1.150 1.00 0.00 O ATOM 266 CB ILE A 21 6.512 -3.009 -3.214 1.00 0.00 C ATOM 267 CG1 ILE A 21 5.817 -2.856 -1.859 1.00 0.00 C ATOM 268 CG2 ILE A 21 6.218 -4.376 -3.815 1.00 0.00 C ATOM 269 CD1 ILE A 21 6.298 -3.844 -0.820 1.00 0.00 C ATOM 0 H ILE A 21 8.121 -4.581 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 21 8.458 -2.578 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 21 6.123 -2.246 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.979 -1.844 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.742 -2.978 -1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.140 -4.506 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.685 -4.450 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.618 -5.153 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.763 -3.678 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.111 -4.859 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.367 -3.708 -0.656 1.00 0.00 H new ATOM 281 N VAL A 22 7.652 -0.500 -2.409 1.00 0.00 N ATOM 282 CA VAL A 22 7.806 0.692 -1.584 1.00 0.00 C ATOM 283 C VAL A 22 6.471 1.122 -0.985 1.00 0.00 C ATOM 284 O VAL A 22 5.428 1.030 -1.633 1.00 0.00 O ATOM 285 CB VAL A 22 8.393 1.863 -2.394 1.00 0.00 C ATOM 286 CG1 VAL A 22 7.541 2.143 -3.623 1.00 0.00 C ATOM 287 CG2 VAL A 22 8.512 3.106 -1.525 1.00 0.00 C ATOM 0 H VAL A 22 7.030 -0.382 -3.209 1.00 0.00 H new ATOM 0 HA VAL A 22 8.496 0.434 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 22 9.392 1.584 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.971 2.973 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.512 1.256 -4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.528 2.401 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.929 3.923 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.525 3.389 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.167 2.897 -0.679 1.00 0.00 H new ATOM 297 N LYS A 23 6.510 1.591 0.257 1.00 0.00 N ATOM 298 CA LYS A 23 5.305 2.038 0.945 1.00 0.00 C ATOM 299 C LYS A 23 4.494 2.983 0.065 1.00 0.00 C ATOM 300 O LYS A 23 5.038 3.843 -0.629 1.00 0.00 O ATOM 301 CB LYS A 23 5.670 2.734 2.258 1.00 0.00 C ATOM 302 CG LYS A 23 6.224 4.135 2.070 1.00 0.00 C ATOM 303 CD LYS A 23 6.422 4.840 3.401 1.00 0.00 C ATOM 304 CE LYS A 23 6.773 6.308 3.208 1.00 0.00 C ATOM 305 NZ LYS A 23 6.584 7.093 4.460 1.00 0.00 N ATOM 0 H LYS A 23 7.364 1.672 0.809 1.00 0.00 H new ATOM 0 HA LYS A 23 4.696 1.161 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.784 2.785 2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.406 2.129 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.175 4.083 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.543 4.716 1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.513 4.758 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.216 4.346 3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.809 6.394 2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.151 6.729 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.834 8.088 4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.590 7.033 4.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.196 6.707 5.207 1.00 0.00 H new ATOM 319 N PRO A 24 3.163 2.824 0.093 1.00 0.00 N ATOM 320 CA PRO A 24 2.249 3.656 -0.695 1.00 0.00 C ATOM 321 C PRO A 24 2.187 5.092 -0.185 1.00 0.00 C ATOM 322 O PRO A 24 2.109 5.330 1.020 1.00 0.00 O ATOM 323 CB PRO A 24 0.895 2.965 -0.515 1.00 0.00 C ATOM 324 CG PRO A 24 1.008 2.243 0.783 1.00 0.00 C ATOM 325 CD PRO A 24 2.446 1.820 0.897 1.00 0.00 C ATOM 0 HA PRO A 24 2.566 3.737 -1.735 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.080 3.689 -0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.690 2.276 -1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.724 2.888 1.614 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.344 1.379 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 24 2.784 1.820 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 24 2.600 0.812 0.511 1.00 0.00 H new ATOM 333 N VAL A 25 2.221 6.046 -1.110 1.00 0.00 N ATOM 334 CA VAL A 25 2.166 7.459 -0.754 1.00 0.00 C ATOM 335 C VAL A 25 0.743 7.996 -0.852 1.00 0.00 C ATOM 336 O VAL A 25 -0.010 7.628 -1.754 1.00 0.00 O ATOM 337 CB VAL A 25 3.084 8.302 -1.659 1.00 0.00 C ATOM 338 CG1 VAL A 25 2.917 9.783 -1.357 1.00 0.00 C ATOM 339 CG2 VAL A 25 4.535 7.875 -1.490 1.00 0.00 C ATOM 0 H VAL A 25 2.286 5.866 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 25 2.511 7.539 0.277 1.00 0.00 H new ATOM 0 HB VAL A 25 2.798 8.133 -2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.573 10.363 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.882 10.076 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.176 9.973 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.170 8.481 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.837 8.014 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.639 6.824 -1.761 1.00 0.00 H new ATOM 349 N ALA A 26 0.380 8.868 0.082 1.00 0.00 N ATOM 350 CA ALA A 26 -0.953 9.458 0.100 1.00 0.00 C ATOM 351 C ALA A 26 -0.939 10.863 -0.493 1.00 0.00 C ATOM 352 O ALA A 26 -0.130 11.704 -0.103 1.00 0.00 O ATOM 353 CB ALA A 26 -1.498 9.488 1.520 1.00 0.00 C ATOM 0 H ALA A 26 0.990 9.182 0.837 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.606 8.839 -0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.494 9.931 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.554 8.472 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.837 10.083 2.151 1.00 0.00 H new ATOM 359 N SER A 27 -1.840 11.110 -1.438 1.00 0.00 N ATOM 360 CA SER A 27 -1.929 12.412 -2.089 1.00 0.00 C ATOM 361 C SER A 27 -3.383 12.845 -2.243 1.00 0.00 C ATOM 362 O SER A 27 -4.304 12.086 -1.938 1.00 0.00 O ATOM 363 CB SER A 27 -1.250 12.368 -3.459 1.00 0.00 C ATOM 364 OG SER A 27 -1.996 11.582 -4.373 1.00 0.00 O ATOM 0 H SER A 27 -2.519 10.425 -1.770 1.00 0.00 H new ATOM 0 HA SER A 27 -1.417 13.140 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.143 13.381 -3.848 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.245 11.958 -3.357 1.00 0.00 H new ATOM 0 HG SER A 27 -2.248 10.736 -3.947 1.00 0.00 H new ATOM 370 N ASP A 28 -3.582 14.070 -2.716 1.00 0.00 N ATOM 371 CA ASP A 28 -4.925 14.606 -2.912 1.00 0.00 C ATOM 372 C ASP A 28 -5.878 14.088 -1.839 1.00 0.00 C ATOM 373 O ASP A 28 -7.056 13.849 -2.105 1.00 0.00 O ATOM 374 CB ASP A 28 -5.448 14.233 -4.300 1.00 0.00 C ATOM 375 CG ASP A 28 -6.409 15.266 -4.853 1.00 0.00 C ATOM 376 OD1 ASP A 28 -7.561 15.323 -4.374 1.00 0.00 O ATOM 377 OD2 ASP A 28 -6.009 16.020 -5.765 1.00 0.00 O ATOM 0 H ASP A 28 -2.831 14.711 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.872 15.692 -2.832 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.607 14.121 -4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.948 13.266 -4.249 1.00 0.00 H new ATOM 382 N ILE A 29 -5.360 13.917 -0.628 1.00 0.00 N ATOM 383 CA ILE A 29 -6.165 13.428 0.484 1.00 0.00 C ATOM 384 C ILE A 29 -7.420 14.275 0.669 1.00 0.00 C ATOM 385 O ILE A 29 -7.358 15.504 0.650 1.00 0.00 O ATOM 386 CB ILE A 29 -5.364 13.423 1.800 1.00 0.00 C ATOM 387 CG1 ILE A 29 -4.216 12.415 1.720 1.00 0.00 C ATOM 388 CG2 ILE A 29 -6.277 13.103 2.974 1.00 0.00 C ATOM 389 CD1 ILE A 29 -3.014 12.801 2.553 1.00 0.00 C ATOM 0 H ILE A 29 -4.387 14.110 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.452 12.405 0.239 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.940 14.415 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.576 11.440 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.908 12.309 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.697 13.103 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.063 13.856 3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.726 12.121 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.240 12.041 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.628 13.762 2.212 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.307 12.879 3.600 1.00 0.00 H new ATOM 401 N GLN A 30 -8.556 13.609 0.849 1.00 0.00 N ATOM 402 CA GLN A 30 -9.825 14.301 1.038 1.00 0.00 C ATOM 403 C GLN A 30 -10.515 13.833 2.315 1.00 0.00 C ATOM 404 O GLN A 30 -9.955 13.052 3.084 1.00 0.00 O ATOM 405 CB GLN A 30 -10.741 14.069 -0.165 1.00 0.00 C ATOM 406 CG GLN A 30 -10.594 15.120 -1.253 1.00 0.00 C ATOM 407 CD GLN A 30 -10.881 14.572 -2.637 1.00 0.00 C ATOM 408 OE1 GLN A 30 -11.964 14.046 -2.896 1.00 0.00 O ATOM 409 NE2 GLN A 30 -9.910 14.692 -3.535 1.00 0.00 N ATOM 0 H GLN A 30 -8.623 12.591 0.868 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.619 15.367 1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -10.529 13.087 -0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.776 14.052 0.175 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -11.272 15.948 -1.047 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.582 15.523 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -9.028 15.135 -3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.046 14.341 -4.483 1.00 0.00 H new ATOM 418 N ALA A 31 -11.733 14.317 2.535 1.00 0.00 N ATOM 419 CA ALA A 31 -12.500 13.947 3.718 1.00 0.00 C ATOM 420 C ALA A 31 -12.302 12.474 4.062 1.00 0.00 C ATOM 421 O ALA A 31 -11.663 12.141 5.060 1.00 0.00 O ATOM 422 CB ALA A 31 -13.976 14.247 3.505 1.00 0.00 C ATOM 0 H ALA A 31 -12.210 14.966 1.909 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.137 14.541 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.537 13.966 4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.107 15.312 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.343 13.678 2.651 1.00 0.00 H new ATOM 428 N ARG A 32 -12.854 11.597 3.230 1.00 0.00 N ATOM 429 CA ARG A 32 -12.740 10.161 3.448 1.00 0.00 C ATOM 430 C ARG A 32 -11.982 9.496 2.302 1.00 0.00 C ATOM 431 O ARG A 32 -11.413 8.416 2.463 1.00 0.00 O ATOM 432 CB ARG A 32 -14.127 9.532 3.589 1.00 0.00 C ATOM 433 CG ARG A 32 -15.110 10.394 4.365 1.00 0.00 C ATOM 434 CD ARG A 32 -16.546 10.114 3.949 1.00 0.00 C ATOM 435 NE ARG A 32 -16.953 10.929 2.808 1.00 0.00 N ATOM 436 CZ ARG A 32 -18.194 10.961 2.333 1.00 0.00 C ATOM 437 NH1 ARG A 32 -19.143 10.228 2.899 1.00 0.00 N ATOM 438 NH2 ARG A 32 -18.487 11.728 1.291 1.00 0.00 N ATOM 0 H ARG A 32 -13.385 11.856 2.399 1.00 0.00 H new ATOM 0 HA ARG A 32 -12.182 10.003 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -14.532 9.339 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.030 8.567 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.996 10.206 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.881 11.447 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.651 9.059 3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -17.212 10.309 4.790 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.247 11.505 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.921 9.638 3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.095 10.254 2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.760 12.294 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.440 11.752 0.927 1.00 0.00 H new ATOM 452 N THR A 33 -11.981 10.147 1.143 1.00 0.00 N ATOM 453 CA THR A 33 -11.296 9.619 -0.030 1.00 0.00 C ATOM 454 C THR A 33 -9.881 10.176 -0.137 1.00 0.00 C ATOM 455 O THR A 33 -9.613 11.303 0.279 1.00 0.00 O ATOM 456 CB THR A 33 -12.064 9.948 -1.324 1.00 0.00 C ATOM 457 OG1 THR A 33 -12.299 11.357 -1.410 1.00 0.00 O ATOM 458 CG2 THR A 33 -13.390 9.203 -1.370 1.00 0.00 C ATOM 0 H THR A 33 -12.447 11.041 0.992 1.00 0.00 H new ATOM 0 HA THR A 33 -11.250 8.537 0.091 1.00 0.00 H new ATOM 0 HB THR A 33 -11.457 9.630 -2.172 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.786 11.558 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.915 9.451 -2.293 1.00 0.00 H new ATOM 0 HG22 THR A 33 -13.206 8.129 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.001 9.494 -0.516 1.00 0.00 H new ATOM 466 N VAL A 34 -8.977 9.379 -0.699 1.00 0.00 N ATOM 467 CA VAL A 34 -7.589 9.793 -0.863 1.00 0.00 C ATOM 468 C VAL A 34 -6.946 9.099 -2.058 1.00 0.00 C ATOM 469 O VAL A 34 -7.420 8.059 -2.515 1.00 0.00 O ATOM 470 CB VAL A 34 -6.760 9.491 0.399 1.00 0.00 C ATOM 471 CG1 VAL A 34 -7.566 9.795 1.653 1.00 0.00 C ATOM 472 CG2 VAL A 34 -6.292 8.043 0.394 1.00 0.00 C ATOM 0 H VAL A 34 -9.182 8.443 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.598 10.870 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.880 10.134 0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.964 9.575 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.847 10.848 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.465 9.179 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.708 7.846 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.158 7.381 0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.675 7.863 -0.486 1.00 0.00 H new ATOM 482 N VAL A 35 -5.862 9.682 -2.561 1.00 0.00 N ATOM 483 CA VAL A 35 -5.152 9.119 -3.703 1.00 0.00 C ATOM 484 C VAL A 35 -3.878 8.407 -3.262 1.00 0.00 C ATOM 485 O VAL A 35 -2.875 9.046 -2.941 1.00 0.00 O ATOM 486 CB VAL A 35 -4.788 10.208 -4.730 1.00 0.00 C ATOM 487 CG1 VAL A 35 -3.968 9.617 -5.867 1.00 0.00 C ATOM 488 CG2 VAL A 35 -6.045 10.880 -5.262 1.00 0.00 C ATOM 0 H VAL A 35 -5.457 10.544 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.824 8.399 -4.170 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.182 10.965 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.720 10.401 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.050 9.187 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.546 8.839 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.769 11.647 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.679 10.136 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.589 11.340 -4.437 1.00 0.00 H new ATOM 498 N LEU A 36 -3.924 7.079 -3.247 1.00 0.00 N ATOM 499 CA LEU A 36 -2.773 6.278 -2.845 1.00 0.00 C ATOM 500 C LEU A 36 -1.995 5.794 -4.064 1.00 0.00 C ATOM 501 O LEU A 36 -2.509 5.028 -4.880 1.00 0.00 O ATOM 502 CB LEU A 36 -3.228 5.081 -2.008 1.00 0.00 C ATOM 503 CG LEU A 36 -2.151 4.414 -1.151 1.00 0.00 C ATOM 504 CD1 LEU A 36 -1.549 5.414 -0.176 1.00 0.00 C ATOM 505 CD2 LEU A 36 -2.728 3.220 -0.405 1.00 0.00 C ATOM 0 H LEU A 36 -4.746 6.534 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.116 6.906 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.035 5.407 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.646 4.331 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.358 4.058 -1.809 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.785 4.921 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.099 6.237 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.331 5.801 0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.948 2.757 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.540 3.553 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.110 2.493 -1.122 1.00 0.00 H new ATOM 517 N THR A 37 -0.749 6.245 -4.182 1.00 0.00 N ATOM 518 CA THR A 37 0.101 5.857 -5.300 1.00 0.00 C ATOM 519 C THR A 37 1.349 5.129 -4.814 1.00 0.00 C ATOM 520 O THR A 37 2.095 5.643 -3.980 1.00 0.00 O ATOM 521 CB THR A 37 0.527 7.081 -6.133 1.00 0.00 C ATOM 522 OG1 THR A 37 -0.569 7.996 -6.254 1.00 0.00 O ATOM 523 CG2 THR A 37 0.996 6.658 -7.516 1.00 0.00 C ATOM 0 H THR A 37 -0.307 6.879 -3.516 1.00 0.00 H new ATOM 0 HA THR A 37 -0.487 5.187 -5.927 1.00 0.00 H new ATOM 0 HB THR A 37 1.355 7.571 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.290 8.772 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.291 7.539 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.848 5.985 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.185 6.146 -8.034 1.00 0.00 H new ATOM 531 N TRP A 38 1.572 3.930 -5.342 1.00 0.00 N ATOM 532 CA TRP A 38 2.731 3.132 -4.962 1.00 0.00 C ATOM 533 C TRP A 38 3.414 2.544 -6.192 1.00 0.00 C ATOM 534 O TRP A 38 2.783 2.350 -7.230 1.00 0.00 O ATOM 535 CB TRP A 38 2.313 2.009 -4.010 1.00 0.00 C ATOM 536 CG TRP A 38 1.415 0.993 -4.648 1.00 0.00 C ATOM 537 CD1 TRP A 38 1.798 -0.095 -5.379 1.00 0.00 C ATOM 538 CD2 TRP A 38 -0.016 0.972 -4.614 1.00 0.00 C ATOM 539 NE1 TRP A 38 0.691 -0.791 -5.801 1.00 0.00 N ATOM 540 CE2 TRP A 38 -0.434 -0.157 -5.344 1.00 0.00 C ATOM 541 CE3 TRP A 38 -0.985 1.797 -4.036 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.778 -0.480 -5.511 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -2.318 1.475 -4.203 1.00 0.00 C ATOM 544 CH2 TRP A 38 -2.705 0.345 -4.934 1.00 0.00 C ATOM 0 H TRP A 38 0.965 3.490 -6.034 1.00 0.00 H new ATOM 0 HA TRP A 38 3.440 3.785 -4.453 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.206 1.509 -3.635 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.805 2.443 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.821 -0.368 -5.594 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.705 -1.642 -6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.697 2.670 -3.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -2.078 -1.350 -6.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.075 2.106 -3.762 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.756 0.120 -5.045 1.00 0.00 H new ATOM 555 N SER A 39 4.707 2.263 -6.068 1.00 0.00 N ATOM 556 CA SER A 39 5.477 1.700 -7.172 1.00 0.00 C ATOM 557 C SER A 39 5.626 0.190 -7.016 1.00 0.00 C ATOM 558 O SER A 39 5.523 -0.360 -5.919 1.00 0.00 O ATOM 559 CB SER A 39 6.857 2.356 -7.245 1.00 0.00 C ATOM 560 OG SER A 39 6.814 3.553 -8.002 1.00 0.00 O ATOM 0 H SER A 39 5.244 2.416 -5.214 1.00 0.00 H new ATOM 0 HA SER A 39 4.938 1.900 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 39 7.214 2.572 -6.238 1.00 0.00 H new ATOM 0 HB3 SER A 39 7.569 1.663 -7.694 1.00 0.00 H new ATOM 0 HG SER A 39 7.708 3.953 -8.032 1.00 0.00 H new ATOM 566 N PRO A 40 5.874 -0.498 -8.140 1.00 0.00 N ATOM 567 CA PRO A 40 6.043 -1.954 -8.156 1.00 0.00 C ATOM 568 C PRO A 40 7.339 -2.394 -7.484 1.00 0.00 C ATOM 569 O PRO A 40 8.253 -1.600 -7.263 1.00 0.00 O ATOM 570 CB PRO A 40 6.073 -2.292 -9.649 1.00 0.00 C ATOM 571 CG PRO A 40 6.545 -1.043 -10.310 1.00 0.00 C ATOM 572 CD PRO A 40 6.009 0.092 -9.483 1.00 0.00 C ATOM 0 HA PRO A 40 5.251 -2.462 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.745 -3.126 -9.853 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.086 -2.582 -10.009 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.634 -1.013 -10.355 1.00 0.00 H new ATOM 0 HG3 PRO A 40 6.182 -0.983 -11.336 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.689 0.944 -9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.052 0.449 -9.863 1.00 0.00 H new ATOM 580 N PRO A 41 7.423 -3.691 -7.151 1.00 0.00 N ATOM 581 CA PRO A 41 8.604 -4.266 -6.501 1.00 0.00 C ATOM 582 C PRO A 41 9.808 -4.327 -7.434 1.00 0.00 C ATOM 583 O PRO A 41 9.658 -4.363 -8.655 1.00 0.00 O ATOM 584 CB PRO A 41 8.149 -5.678 -6.123 1.00 0.00 C ATOM 585 CG PRO A 41 7.064 -5.998 -7.093 1.00 0.00 C ATOM 586 CD PRO A 41 6.372 -4.696 -7.385 1.00 0.00 C ATOM 0 HA PRO A 41 8.933 -3.667 -5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.970 -6.392 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.786 -5.715 -5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.472 -6.436 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.368 -6.725 -6.674 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.001 -4.659 -8.409 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.515 -4.541 -6.730 1.00 0.00 H new ATOM 594 N SER A 42 11.003 -4.337 -6.851 1.00 0.00 N ATOM 595 CA SER A 42 12.234 -4.390 -7.631 1.00 0.00 C ATOM 596 C SER A 42 12.759 -5.820 -7.721 1.00 0.00 C ATOM 597 O SER A 42 13.048 -6.452 -6.705 1.00 0.00 O ATOM 598 CB SER A 42 13.297 -3.483 -7.009 1.00 0.00 C ATOM 599 OG SER A 42 12.828 -2.150 -6.897 1.00 0.00 O ATOM 0 H SER A 42 11.145 -4.309 -5.841 1.00 0.00 H new ATOM 0 HA SER A 42 12.012 -4.039 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.570 -3.860 -6.023 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.200 -3.504 -7.619 1.00 0.00 H new ATOM 0 HG SER A 42 13.525 -1.591 -6.495 1.00 0.00 H new ATOM 605 N SER A 43 12.880 -6.323 -8.946 1.00 0.00 N ATOM 606 CA SER A 43 13.367 -7.679 -9.170 1.00 0.00 C ATOM 607 C SER A 43 14.870 -7.765 -8.921 1.00 0.00 C ATOM 608 O SER A 43 15.651 -7.013 -9.504 1.00 0.00 O ATOM 609 CB SER A 43 13.048 -8.128 -10.597 1.00 0.00 C ATOM 610 OG SER A 43 13.811 -7.401 -11.543 1.00 0.00 O ATOM 0 H SER A 43 12.648 -5.812 -9.798 1.00 0.00 H new ATOM 0 HA SER A 43 12.862 -8.341 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.254 -9.193 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.986 -7.988 -10.797 1.00 0.00 H new ATOM 0 HG SER A 43 14.555 -6.953 -11.089 1.00 0.00 H new ATOM 616 N LEU A 44 15.267 -8.687 -8.052 1.00 0.00 N ATOM 617 CA LEU A 44 16.676 -8.873 -7.724 1.00 0.00 C ATOM 618 C LEU A 44 17.274 -10.026 -8.525 1.00 0.00 C ATOM 619 O LEU A 44 18.364 -10.509 -8.217 1.00 0.00 O ATOM 620 CB LEU A 44 16.842 -9.138 -6.227 1.00 0.00 C ATOM 621 CG LEU A 44 16.230 -8.097 -5.290 1.00 0.00 C ATOM 622 CD1 LEU A 44 16.204 -8.614 -3.860 1.00 0.00 C ATOM 623 CD2 LEU A 44 17.001 -6.787 -5.371 1.00 0.00 C ATOM 0 H LEU A 44 14.633 -9.318 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 44 17.208 -7.958 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 44 16.400 -10.108 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 44 17.907 -9.214 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 44 15.203 -7.912 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.765 -7.859 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.607 -9.525 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.221 -8.829 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.551 -6.058 -4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 44 18.038 -6.957 -5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 44 16.967 -6.407 -6.392 1.00 0.00 H new ATOM 635 N ILE A 45 16.554 -10.460 -9.554 1.00 0.00 N ATOM 636 CA ILE A 45 17.015 -11.554 -10.401 1.00 0.00 C ATOM 637 C ILE A 45 18.406 -11.269 -10.957 1.00 0.00 C ATOM 638 O ILE A 45 19.101 -12.177 -11.412 1.00 0.00 O ATOM 639 CB ILE A 45 16.047 -11.805 -11.572 1.00 0.00 C ATOM 640 CG1 ILE A 45 14.632 -12.056 -11.048 1.00 0.00 C ATOM 641 CG2 ILE A 45 16.524 -12.982 -12.410 1.00 0.00 C ATOM 642 CD1 ILE A 45 13.602 -12.223 -12.144 1.00 0.00 C ATOM 0 H ILE A 45 15.650 -10.071 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 45 17.052 -12.445 -9.774 1.00 0.00 H new ATOM 0 HB ILE A 45 16.027 -10.918 -12.205 1.00 0.00 H new ATOM 0 HG12 ILE A 45 14.637 -12.951 -10.426 1.00 0.00 H new ATOM 0 HG13 ILE A 45 14.338 -11.225 -10.408 1.00 0.00 H new ATOM 0 HG21 ILE A 45 15.830 -13.147 -13.234 1.00 0.00 H new ATOM 0 HG22 ILE A 45 17.515 -12.767 -12.809 1.00 0.00 H new ATOM 0 HG23 ILE A 45 16.569 -13.876 -11.789 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.622 -12.398 -11.699 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.568 -11.319 -12.752 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.872 -13.073 -12.771 1.00 0.00 H new ATOM 654 N ASN A 46 18.806 -10.003 -10.916 1.00 0.00 N ATOM 655 CA ASN A 46 20.115 -9.598 -11.415 1.00 0.00 C ATOM 656 C ASN A 46 20.157 -9.653 -12.940 1.00 0.00 C ATOM 657 O ASN A 46 21.220 -9.820 -13.536 1.00 0.00 O ATOM 658 CB ASN A 46 21.207 -10.497 -10.831 1.00 0.00 C ATOM 659 CG ASN A 46 22.593 -9.902 -10.990 1.00 0.00 C ATOM 660 OD1 ASN A 46 22.875 -8.815 -10.485 1.00 0.00 O ATOM 661 ND2 ASN A 46 23.465 -10.613 -11.695 1.00 0.00 N ATOM 0 H ASN A 46 18.242 -9.239 -10.542 1.00 0.00 H new ATOM 0 HA ASN A 46 20.294 -8.570 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.007 -10.667 -9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 46 21.174 -11.470 -11.322 1.00 0.00 H new ATOM 0 HD21 ASN A 46 24.413 -10.263 -11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 46 23.187 -11.509 -12.095 1.00 0.00 H new ATOM 668 N GLY A 47 18.992 -9.510 -13.564 1.00 0.00 N ATOM 669 CA GLY A 47 18.918 -9.546 -15.013 1.00 0.00 C ATOM 670 C GLY A 47 19.020 -10.954 -15.564 1.00 0.00 C ATOM 671 O GLY A 47 18.803 -11.178 -16.754 1.00 0.00 O ATOM 0 H GLY A 47 18.098 -9.370 -13.092 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.978 -9.100 -15.337 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.720 -8.937 -15.430 1.00 0.00 H new ATOM 675 N GLU A 48 19.352 -11.905 -14.697 1.00 0.00 N ATOM 676 CA GLU A 48 19.485 -13.298 -15.105 1.00 0.00 C ATOM 677 C GLU A 48 18.327 -13.713 -16.009 1.00 0.00 C ATOM 678 O GLU A 48 18.439 -14.661 -16.786 1.00 0.00 O ATOM 679 CB GLU A 48 19.540 -14.210 -13.878 1.00 0.00 C ATOM 680 CG GLU A 48 20.339 -15.483 -14.101 1.00 0.00 C ATOM 681 CD GLU A 48 20.267 -16.431 -12.920 1.00 0.00 C ATOM 682 OE1 GLU A 48 19.250 -17.145 -12.792 1.00 0.00 O ATOM 683 OE2 GLU A 48 21.228 -16.459 -12.123 1.00 0.00 O ATOM 0 H GLU A 48 19.534 -11.736 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 48 20.415 -13.398 -15.665 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.976 -13.658 -13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.524 -14.475 -13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.967 -15.989 -14.992 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.381 -15.225 -14.292 1.00 0.00 H new ATOM 690 N THR A 49 17.213 -12.995 -15.900 1.00 0.00 N ATOM 691 CA THR A 49 16.034 -13.289 -16.704 1.00 0.00 C ATOM 692 C THR A 49 15.626 -12.083 -17.543 1.00 0.00 C ATOM 693 O THR A 49 15.970 -10.945 -17.221 1.00 0.00 O ATOM 694 CB THR A 49 14.843 -13.712 -15.823 1.00 0.00 C ATOM 695 OG1 THR A 49 13.899 -14.456 -16.600 1.00 0.00 O ATOM 696 CG2 THR A 49 14.161 -12.496 -15.215 1.00 0.00 C ATOM 0 H THR A 49 17.103 -12.206 -15.263 1.00 0.00 H new ATOM 0 HA THR A 49 16.300 -14.115 -17.363 1.00 0.00 H new ATOM 0 HB THR A 49 15.221 -14.338 -15.015 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.146 -14.723 -16.032 1.00 0.00 H new ATOM 0 HG21 THR A 49 13.323 -12.820 -14.597 1.00 0.00 H new ATOM 0 HG22 THR A 49 14.875 -11.948 -14.600 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.795 -11.848 -16.011 1.00 0.00 H new ATOM 704 N ASP A 50 14.892 -12.338 -18.620 1.00 0.00 N ATOM 705 CA ASP A 50 14.436 -11.272 -19.505 1.00 0.00 C ATOM 706 C ASP A 50 13.797 -10.140 -18.708 1.00 0.00 C ATOM 707 O ASP A 50 13.472 -10.303 -17.532 1.00 0.00 O ATOM 708 CB ASP A 50 13.438 -11.820 -20.527 1.00 0.00 C ATOM 709 CG ASP A 50 13.467 -11.052 -21.834 1.00 0.00 C ATOM 710 OD1 ASP A 50 14.511 -10.439 -22.138 1.00 0.00 O ATOM 711 OD2 ASP A 50 12.445 -11.064 -22.551 1.00 0.00 O ATOM 0 H ASP A 50 14.600 -13.274 -18.902 1.00 0.00 H new ATOM 0 HA ASP A 50 15.304 -10.876 -20.033 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.660 -12.869 -20.721 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.433 -11.779 -20.107 1.00 0.00 H new ATOM 716 N GLU A 51 13.621 -8.993 -19.356 1.00 0.00 N ATOM 717 CA GLU A 51 13.022 -7.833 -18.705 1.00 0.00 C ATOM 718 C GLU A 51 11.514 -7.797 -18.938 1.00 0.00 C ATOM 719 O GLU A 51 10.754 -7.344 -18.082 1.00 0.00 O ATOM 720 CB GLU A 51 13.660 -6.543 -19.225 1.00 0.00 C ATOM 721 CG GLU A 51 15.175 -6.607 -19.315 1.00 0.00 C ATOM 722 CD GLU A 51 15.655 -7.405 -20.512 1.00 0.00 C ATOM 723 OE1 GLU A 51 14.954 -7.401 -21.546 1.00 0.00 O ATOM 724 OE2 GLU A 51 16.729 -8.034 -20.415 1.00 0.00 O ATOM 0 H GLU A 51 13.884 -8.842 -20.330 1.00 0.00 H new ATOM 0 HA GLU A 51 13.205 -7.915 -17.634 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.255 -6.319 -20.212 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.378 -5.718 -18.570 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.575 -5.595 -19.374 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.571 -7.054 -18.403 1.00 0.00 H new ATOM 731 N SER A 52 11.089 -8.278 -20.102 1.00 0.00 N ATOM 732 CA SER A 52 9.673 -8.297 -20.450 1.00 0.00 C ATOM 733 C SER A 52 9.039 -9.632 -20.071 1.00 0.00 C ATOM 734 O SER A 52 8.219 -10.175 -20.812 1.00 0.00 O ATOM 735 CB SER A 52 9.490 -8.039 -21.946 1.00 0.00 C ATOM 736 OG SER A 52 8.131 -7.788 -22.258 1.00 0.00 O ATOM 0 H SER A 52 11.705 -8.660 -20.820 1.00 0.00 H new ATOM 0 HA SER A 52 9.176 -7.506 -19.889 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.099 -7.187 -22.248 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.843 -8.901 -22.513 1.00 0.00 H new ATOM 0 HG SER A 52 7.574 -8.507 -21.893 1.00 0.00 H new ATOM 742 N SER A 53 9.424 -10.155 -18.912 1.00 0.00 N ATOM 743 CA SER A 53 8.897 -11.429 -18.435 1.00 0.00 C ATOM 744 C SER A 53 8.160 -11.250 -17.111 1.00 0.00 C ATOM 745 O SER A 53 7.007 -11.657 -16.969 1.00 0.00 O ATOM 746 CB SER A 53 10.030 -12.444 -18.269 1.00 0.00 C ATOM 747 OG SER A 53 10.663 -12.299 -17.010 1.00 0.00 O ATOM 0 H SER A 53 10.099 -9.717 -18.285 1.00 0.00 H new ATOM 0 HA SER A 53 8.191 -11.803 -19.176 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.634 -13.455 -18.366 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.762 -12.310 -19.065 1.00 0.00 H new ATOM 0 HG SER A 53 11.382 -12.960 -16.927 1.00 0.00 H new ATOM 753 N VAL A 54 8.836 -10.639 -16.143 1.00 0.00 N ATOM 754 CA VAL A 54 8.247 -10.405 -14.830 1.00 0.00 C ATOM 755 C VAL A 54 6.824 -9.872 -14.953 1.00 0.00 C ATOM 756 O VAL A 54 6.539 -8.965 -15.735 1.00 0.00 O ATOM 757 CB VAL A 54 9.087 -9.409 -14.008 1.00 0.00 C ATOM 758 CG1 VAL A 54 10.347 -10.079 -13.483 1.00 0.00 C ATOM 759 CG2 VAL A 54 9.431 -8.186 -14.844 1.00 0.00 C ATOM 0 H VAL A 54 9.792 -10.297 -16.244 1.00 0.00 H new ATOM 0 HA VAL A 54 8.229 -11.366 -14.315 1.00 0.00 H new ATOM 0 HB VAL A 54 8.496 -9.081 -13.153 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.928 -9.360 -12.905 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.073 -10.920 -12.846 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.945 -10.438 -14.321 1.00 0.00 H new ATOM 0 HG21 VAL A 54 10.025 -7.493 -14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 54 10.003 -8.493 -15.720 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.513 -7.694 -15.165 1.00 0.00 H new ATOM 769 N PRO A 55 5.906 -10.448 -14.163 1.00 0.00 N ATOM 770 CA PRO A 55 4.496 -10.047 -14.164 1.00 0.00 C ATOM 771 C PRO A 55 4.287 -8.662 -13.562 1.00 0.00 C ATOM 772 O PRO A 55 5.053 -8.227 -12.702 1.00 0.00 O ATOM 773 CB PRO A 55 3.823 -11.114 -13.296 1.00 0.00 C ATOM 774 CG PRO A 55 4.905 -11.615 -12.403 1.00 0.00 C ATOM 775 CD PRO A 55 6.174 -11.536 -13.207 1.00 0.00 C ATOM 0 HA PRO A 55 4.092 -9.982 -15.174 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.998 -10.694 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.410 -11.917 -13.906 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.977 -11.010 -11.499 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.707 -12.639 -12.086 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.035 -11.314 -12.577 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.386 -12.476 -13.717 1.00 0.00 H new ATOM 783 N GLU A 56 3.246 -7.974 -14.019 1.00 0.00 N ATOM 784 CA GLU A 56 2.938 -6.637 -13.525 1.00 0.00 C ATOM 785 C GLU A 56 1.545 -6.594 -12.903 1.00 0.00 C ATOM 786 O GLU A 56 0.980 -5.521 -12.691 1.00 0.00 O ATOM 787 CB GLU A 56 3.033 -5.615 -14.660 1.00 0.00 C ATOM 788 CG GLU A 56 2.013 -5.835 -15.764 1.00 0.00 C ATOM 789 CD GLU A 56 2.534 -6.733 -16.869 1.00 0.00 C ATOM 790 OE1 GLU A 56 3.277 -6.233 -17.740 1.00 0.00 O ATOM 791 OE2 GLU A 56 2.199 -7.936 -16.863 1.00 0.00 O ATOM 0 H GLU A 56 2.602 -8.320 -14.730 1.00 0.00 H new ATOM 0 HA GLU A 56 3.668 -6.385 -12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.900 -4.614 -14.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.034 -5.653 -15.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.111 -6.275 -15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.728 -4.872 -16.188 1.00 0.00 H new ATOM 798 N LEU A 57 0.997 -7.769 -12.613 1.00 0.00 N ATOM 799 CA LEU A 57 -0.330 -7.868 -12.015 1.00 0.00 C ATOM 800 C LEU A 57 -0.235 -8.184 -10.526 1.00 0.00 C ATOM 801 O LEU A 57 -1.168 -8.729 -9.936 1.00 0.00 O ATOM 802 CB LEU A 57 -1.152 -8.945 -12.726 1.00 0.00 C ATOM 803 CG LEU A 57 -1.386 -8.734 -14.222 1.00 0.00 C ATOM 804 CD1 LEU A 57 -1.590 -7.258 -14.527 1.00 0.00 C ATOM 805 CD2 LEU A 57 -0.221 -9.291 -15.027 1.00 0.00 C ATOM 0 H LEU A 57 1.451 -8.667 -12.782 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.827 -6.905 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.653 -9.904 -12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.122 -9.017 -12.234 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.290 -9.271 -14.509 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.755 -7.127 -15.596 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.457 -6.889 -13.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.705 -6.698 -14.225 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.404 -9.132 -16.090 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.698 -8.782 -14.737 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.121 -10.359 -14.832 1.00 0.00 H new ATOM 817 N TYR A 58 0.898 -7.837 -9.925 1.00 0.00 N ATOM 818 CA TYR A 58 1.115 -8.084 -8.504 1.00 0.00 C ATOM 819 C TYR A 58 -0.050 -7.553 -7.674 1.00 0.00 C ATOM 820 O TYR A 58 -0.136 -6.358 -7.397 1.00 0.00 O ATOM 821 CB TYR A 58 2.421 -7.432 -8.046 1.00 0.00 C ATOM 822 CG TYR A 58 3.631 -7.885 -8.831 1.00 0.00 C ATOM 823 CD1 TYR A 58 4.008 -9.222 -8.856 1.00 0.00 C ATOM 824 CD2 TYR A 58 4.398 -6.974 -9.548 1.00 0.00 C ATOM 825 CE1 TYR A 58 5.114 -9.639 -9.571 1.00 0.00 C ATOM 826 CE2 TYR A 58 5.504 -7.383 -10.268 1.00 0.00 C ATOM 827 CZ TYR A 58 5.859 -8.716 -10.276 1.00 0.00 C ATOM 828 OH TYR A 58 6.960 -9.128 -10.990 1.00 0.00 O ATOM 0 H TYR A 58 1.680 -7.384 -10.399 1.00 0.00 H new ATOM 0 HA TYR A 58 1.182 -9.162 -8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.327 -6.350 -8.132 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.578 -7.655 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.426 -9.948 -8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.125 -5.929 -9.542 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.394 -10.682 -9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.088 -6.663 -10.822 1.00 0.00 H new ATOM 0 HH TYR A 58 6.756 -9.106 -11.948 1.00 0.00 H new ATOM 838 N GLY A 59 -0.945 -8.454 -7.279 1.00 0.00 N ATOM 839 CA GLY A 59 -2.094 -8.059 -6.484 1.00 0.00 C ATOM 840 C GLY A 59 -1.703 -7.247 -5.265 1.00 0.00 C ATOM 841 O GLY A 59 -1.168 -7.787 -4.297 1.00 0.00 O ATOM 0 H GLY A 59 -0.895 -9.450 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.776 -7.476 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.635 -8.950 -6.165 1.00 0.00 H new ATOM 845 N TYR A 60 -1.970 -5.947 -5.312 1.00 0.00 N ATOM 846 CA TYR A 60 -1.639 -5.058 -4.205 1.00 0.00 C ATOM 847 C TYR A 60 -2.857 -4.816 -3.318 1.00 0.00 C ATOM 848 O TYR A 60 -3.925 -4.443 -3.802 1.00 0.00 O ATOM 849 CB TYR A 60 -1.106 -3.726 -4.734 1.00 0.00 C ATOM 850 CG TYR A 60 0.113 -3.869 -5.616 1.00 0.00 C ATOM 851 CD1 TYR A 60 1.347 -4.216 -5.079 1.00 0.00 C ATOM 852 CD2 TYR A 60 0.032 -3.656 -6.987 1.00 0.00 C ATOM 853 CE1 TYR A 60 2.464 -4.348 -5.882 1.00 0.00 C ATOM 854 CE2 TYR A 60 1.144 -3.786 -7.797 1.00 0.00 C ATOM 855 CZ TYR A 60 2.357 -4.132 -7.240 1.00 0.00 C ATOM 856 OH TYR A 60 3.467 -4.262 -8.043 1.00 0.00 O ATOM 0 H TYR A 60 -2.415 -5.485 -6.105 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.865 -5.538 -3.606 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.895 -3.226 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.860 -3.082 -3.890 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.435 -4.385 -4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.916 -3.384 -7.427 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.415 -4.619 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.063 -3.617 -8.861 1.00 0.00 H new ATOM 0 HH TYR A 60 3.221 -4.077 -8.973 1.00 0.00 H new ATOM 866 N GLU A 61 -2.686 -5.030 -2.018 1.00 0.00 N ATOM 867 CA GLU A 61 -3.771 -4.835 -1.063 1.00 0.00 C ATOM 868 C GLU A 61 -3.462 -3.678 -0.117 1.00 0.00 C ATOM 869 O GLU A 61 -2.405 -3.643 0.514 1.00 0.00 O ATOM 870 CB GLU A 61 -4.010 -6.115 -0.260 1.00 0.00 C ATOM 871 CG GLU A 61 -4.946 -5.927 0.922 1.00 0.00 C ATOM 872 CD GLU A 61 -5.427 -7.243 1.501 1.00 0.00 C ATOM 873 OE1 GLU A 61 -6.250 -7.914 0.844 1.00 0.00 O ATOM 874 OE2 GLU A 61 -4.980 -7.602 2.610 1.00 0.00 O ATOM 0 H GLU A 61 -1.807 -5.338 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.674 -4.592 -1.623 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.422 -6.877 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.053 -6.491 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.435 -5.358 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.807 -5.336 0.609 1.00 0.00 H new ATOM 881 N VAL A 62 -4.392 -2.733 -0.024 1.00 0.00 N ATOM 882 CA VAL A 62 -4.220 -1.574 0.845 1.00 0.00 C ATOM 883 C VAL A 62 -4.744 -1.858 2.248 1.00 0.00 C ATOM 884 O VAL A 62 -5.924 -2.159 2.433 1.00 0.00 O ATOM 885 CB VAL A 62 -4.942 -0.337 0.280 1.00 0.00 C ATOM 886 CG1 VAL A 62 -4.699 0.875 1.167 1.00 0.00 C ATOM 887 CG2 VAL A 62 -4.490 -0.062 -1.147 1.00 0.00 C ATOM 0 H VAL A 62 -5.272 -2.747 -0.539 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.150 -1.370 0.894 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.013 -0.538 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.217 1.739 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.076 0.673 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.630 1.082 1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.010 0.816 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.415 0.119 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.720 -0.923 -1.774 1.00 0.00 H new ATOM 897 N LEU A 63 -3.860 -1.759 3.235 1.00 0.00 N ATOM 898 CA LEU A 63 -4.233 -2.004 4.624 1.00 0.00 C ATOM 899 C LEU A 63 -4.224 -0.707 5.427 1.00 0.00 C ATOM 900 O LEU A 63 -3.366 0.152 5.227 1.00 0.00 O ATOM 901 CB LEU A 63 -3.278 -3.016 5.258 1.00 0.00 C ATOM 902 CG LEU A 63 -2.942 -4.244 4.411 1.00 0.00 C ATOM 903 CD1 LEU A 63 -1.664 -4.902 4.908 1.00 0.00 C ATOM 904 CD2 LEU A 63 -4.096 -5.236 4.428 1.00 0.00 C ATOM 0 H LEU A 63 -2.880 -1.511 3.099 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.244 -2.411 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.348 -2.503 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.712 -3.356 6.198 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.783 -3.920 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.441 -5.774 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.840 -4.192 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.794 -5.213 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.839 -6.103 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.287 -5.555 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.990 -4.761 4.023 1.00 0.00 H new ATOM 916 N ILE A 64 -5.184 -0.574 6.337 1.00 0.00 N ATOM 917 CA ILE A 64 -5.284 0.616 7.172 1.00 0.00 C ATOM 918 C ILE A 64 -5.742 0.261 8.583 1.00 0.00 C ATOM 919 O ILE A 64 -6.519 -0.674 8.777 1.00 0.00 O ATOM 920 CB ILE A 64 -6.260 1.645 6.571 1.00 0.00 C ATOM 921 CG1 ILE A 64 -7.656 1.034 6.431 1.00 0.00 C ATOM 922 CG2 ILE A 64 -5.752 2.133 5.223 1.00 0.00 C ATOM 923 CD1 ILE A 64 -8.752 2.064 6.266 1.00 0.00 C ATOM 0 H ILE A 64 -5.903 -1.276 6.514 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.287 1.055 7.216 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.323 2.500 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.666 0.364 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.868 0.427 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.453 2.859 4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.776 2.602 5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.663 1.288 4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.714 1.560 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.769 2.720 7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.564 2.655 5.370 1.00 0.00 H new ATOM 935 N SER A 65 -5.257 1.015 9.564 1.00 0.00 N ATOM 936 CA SER A 65 -5.615 0.778 10.958 1.00 0.00 C ATOM 937 C SER A 65 -6.077 2.070 11.626 1.00 0.00 C ATOM 938 O SER A 65 -5.339 2.680 12.399 1.00 0.00 O ATOM 939 CB SER A 65 -4.424 0.194 11.720 1.00 0.00 C ATOM 940 OG SER A 65 -3.273 1.007 11.568 1.00 0.00 O ATOM 0 H SER A 65 -4.615 1.795 9.420 1.00 0.00 H new ATOM 0 HA SER A 65 -6.437 0.063 10.981 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.673 0.105 12.777 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.213 -0.812 11.356 1.00 0.00 H new ATOM 0 HG SER A 65 -3.488 1.929 11.820 1.00 0.00 H new ATOM 946 N SER A 66 -7.304 2.479 11.322 1.00 0.00 N ATOM 947 CA SER A 66 -7.865 3.700 11.890 1.00 0.00 C ATOM 948 C SER A 66 -7.415 3.883 13.336 1.00 0.00 C ATOM 949 O SER A 66 -7.284 5.007 13.821 1.00 0.00 O ATOM 950 CB SER A 66 -9.393 3.664 11.820 1.00 0.00 C ATOM 951 OG SER A 66 -9.916 2.613 12.613 1.00 0.00 O ATOM 0 H SER A 66 -7.929 1.984 10.686 1.00 0.00 H new ATOM 0 HA SER A 66 -7.501 4.545 11.305 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.798 4.617 12.161 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.710 3.535 10.785 1.00 0.00 H new ATOM 0 HG SER A 66 -10.894 2.613 12.552 1.00 0.00 H new ATOM 957 N THR A 67 -7.180 2.769 14.022 1.00 0.00 N ATOM 958 CA THR A 67 -6.746 2.804 15.413 1.00 0.00 C ATOM 959 C THR A 67 -5.256 3.113 15.516 1.00 0.00 C ATOM 960 O THR A 67 -4.859 4.105 16.125 1.00 0.00 O ATOM 961 CB THR A 67 -7.032 1.469 16.125 1.00 0.00 C ATOM 962 OG1 THR A 67 -8.407 1.107 15.953 1.00 0.00 O ATOM 963 CG2 THR A 67 -6.710 1.567 17.609 1.00 0.00 C ATOM 0 H THR A 67 -7.283 1.830 13.636 1.00 0.00 H new ATOM 0 HA THR A 67 -7.314 3.596 15.901 1.00 0.00 H new ATOM 0 HB THR A 67 -6.396 0.703 15.681 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.581 0.256 16.407 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.920 0.612 18.091 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.656 1.814 17.737 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.323 2.345 18.064 1.00 0.00 H new ATOM 971 N GLY A 68 -4.436 2.256 14.916 1.00 0.00 N ATOM 972 CA GLY A 68 -2.999 2.456 14.952 1.00 0.00 C ATOM 973 C GLY A 68 -2.239 1.324 14.290 1.00 0.00 C ATOM 974 O GLY A 68 -2.799 0.259 14.029 1.00 0.00 O ATOM 0 H GLY A 68 -4.741 1.427 14.406 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.753 3.394 14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.674 2.550 15.988 1.00 0.00 H new ATOM 978 N LYS A 69 -0.960 1.553 14.015 1.00 0.00 N ATOM 979 CA LYS A 69 -0.121 0.545 13.378 1.00 0.00 C ATOM 980 C LYS A 69 0.169 -0.606 14.336 1.00 0.00 C ATOM 981 O LYS A 69 0.696 -1.644 13.934 1.00 0.00 O ATOM 982 CB LYS A 69 1.193 1.170 12.903 1.00 0.00 C ATOM 983 CG LYS A 69 2.059 1.698 14.034 1.00 0.00 C ATOM 984 CD LYS A 69 3.500 1.888 13.590 1.00 0.00 C ATOM 985 CE LYS A 69 3.712 3.256 12.958 1.00 0.00 C ATOM 986 NZ LYS A 69 5.154 3.623 12.902 1.00 0.00 N ATOM 0 H LYS A 69 -0.481 2.429 14.224 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.661 0.151 12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.758 0.426 12.341 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.970 1.986 12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.658 2.648 14.388 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.024 1.005 14.874 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.164 1.775 14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.767 1.110 12.875 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.297 3.259 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.168 4.008 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.257 4.561 12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.544 3.645 13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.670 2.919 12.336 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.178 -0.416 15.604 1.00 0.00 N ATOM 1001 CA ASP A 70 0.042 -1.439 16.619 1.00 0.00 C ATOM 1002 C ASP A 70 -1.277 -2.076 17.044 1.00 0.00 C ATOM 1003 O ASP A 70 -1.461 -2.429 18.209 1.00 0.00 O ATOM 1004 CB ASP A 70 0.748 -0.837 17.836 1.00 0.00 C ATOM 1005 CG ASP A 70 2.166 -0.402 17.526 1.00 0.00 C ATOM 1006 OD1 ASP A 70 3.035 -1.284 17.361 1.00 0.00 O ATOM 1007 OD2 ASP A 70 2.408 0.821 17.448 1.00 0.00 O ATOM 0 H ASP A 70 -0.613 0.438 15.954 1.00 0.00 H new ATOM 0 HA ASP A 70 0.676 -2.214 16.187 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.179 0.020 18.196 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.764 -1.570 18.643 1.00 0.00 H new ATOM 1012 N GLY A 71 -2.193 -2.220 16.092 1.00 0.00 N ATOM 1013 CA GLY A 71 -3.484 -2.814 16.387 1.00 0.00 C ATOM 1014 C GLY A 71 -3.913 -3.822 15.340 1.00 0.00 C ATOM 1015 O GLY A 71 -3.280 -4.865 15.175 1.00 0.00 O ATOM 0 H GLY A 71 -2.064 -1.936 15.121 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.441 -3.302 17.361 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.235 -2.027 16.458 1.00 0.00 H new ATOM 1019 N LYS A 72 -4.992 -3.511 14.629 1.00 0.00 N ATOM 1020 CA LYS A 72 -5.506 -4.397 13.591 1.00 0.00 C ATOM 1021 C LYS A 72 -5.625 -3.664 12.259 1.00 0.00 C ATOM 1022 O LYS A 72 -6.009 -2.494 12.216 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.870 -4.958 14.000 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.323 -6.134 13.153 1.00 0.00 C ATOM 1025 CD LYS A 72 -8.835 -6.284 13.170 1.00 0.00 C ATOM 1026 CE LYS A 72 -9.297 -7.139 14.339 1.00 0.00 C ATOM 1027 NZ LYS A 72 -9.417 -6.346 15.594 1.00 0.00 N ATOM 0 H LYS A 72 -5.527 -2.652 14.753 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.802 -5.221 13.471 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.828 -5.268 15.044 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.615 -4.165 13.933 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.982 -5.997 12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.861 -7.049 13.523 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.299 -5.299 13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.168 -6.734 12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.261 -7.590 14.101 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.592 -7.956 14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.063 -6.830 16.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.480 -6.252 16.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.792 -5.401 15.373 1.00 0.00 H new ATOM 1041 N TYR A 73 -5.295 -4.357 11.176 1.00 0.00 N ATOM 1042 CA TYR A 73 -5.364 -3.771 9.842 1.00 0.00 C ATOM 1043 C TYR A 73 -6.580 -4.290 9.081 1.00 0.00 C ATOM 1044 O TYR A 73 -6.906 -5.476 9.142 1.00 0.00 O ATOM 1045 CB TYR A 73 -4.087 -4.081 9.059 1.00 0.00 C ATOM 1046 CG TYR A 73 -2.934 -3.161 9.392 1.00 0.00 C ATOM 1047 CD1 TYR A 73 -2.242 -3.289 10.590 1.00 0.00 C ATOM 1048 CD2 TYR A 73 -2.537 -2.165 8.509 1.00 0.00 C ATOM 1049 CE1 TYR A 73 -1.188 -2.450 10.898 1.00 0.00 C ATOM 1050 CE2 TYR A 73 -1.484 -1.323 8.808 1.00 0.00 C ATOM 1051 CZ TYR A 73 -0.813 -1.469 10.004 1.00 0.00 C ATOM 1052 OH TYR A 73 0.236 -0.632 10.307 1.00 0.00 O ATOM 0 H TYR A 73 -4.977 -5.326 11.195 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.461 -2.691 9.952 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.789 -5.110 9.259 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.299 -4.012 7.992 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.533 -4.057 11.292 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.061 -2.047 7.572 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.661 -2.562 11.834 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.188 -0.555 8.109 1.00 0.00 H new ATOM 0 HH TYR A 73 0.372 0.001 9.572 1.00 0.00 H new ATOM 1062 N LYS A 74 -7.247 -3.393 8.363 1.00 0.00 N ATOM 1063 CA LYS A 74 -8.426 -3.758 7.587 1.00 0.00 C ATOM 1064 C LYS A 74 -8.196 -3.512 6.099 1.00 0.00 C ATOM 1065 O LYS A 74 -7.450 -2.610 5.718 1.00 0.00 O ATOM 1066 CB LYS A 74 -9.643 -2.962 8.064 1.00 0.00 C ATOM 1067 CG LYS A 74 -10.703 -2.771 6.994 1.00 0.00 C ATOM 1068 CD LYS A 74 -12.027 -2.327 7.593 1.00 0.00 C ATOM 1069 CE LYS A 74 -12.113 -0.812 7.695 1.00 0.00 C ATOM 1070 NZ LYS A 74 -12.609 -0.198 6.432 1.00 0.00 N ATOM 0 H LYS A 74 -6.991 -2.408 8.302 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.613 -4.821 7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.089 -3.473 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.312 -1.984 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.362 -2.029 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.844 -3.705 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.848 -2.698 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.145 -2.767 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.777 -0.540 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.129 -0.408 7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.653 0.835 6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.962 -0.436 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.558 -0.564 6.217 1.00 0.00 H new ATOM 1084 N SER A 75 -8.843 -4.318 5.263 1.00 0.00 N ATOM 1085 CA SER A 75 -8.706 -4.189 3.817 1.00 0.00 C ATOM 1086 C SER A 75 -9.723 -3.196 3.263 1.00 0.00 C ATOM 1087 O SER A 75 -10.915 -3.277 3.562 1.00 0.00 O ATOM 1088 CB SER A 75 -8.886 -5.550 3.143 1.00 0.00 C ATOM 1089 OG SER A 75 -9.116 -5.404 1.752 1.00 0.00 O ATOM 0 H SER A 75 -9.467 -5.067 5.562 1.00 0.00 H new ATOM 0 HA SER A 75 -7.705 -3.816 3.603 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.998 -6.160 3.306 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.723 -6.078 3.600 1.00 0.00 H new ATOM 0 HG SER A 75 -9.226 -6.288 1.344 1.00 0.00 H new ATOM 1095 N VAL A 76 -9.244 -2.258 2.452 1.00 0.00 N ATOM 1096 CA VAL A 76 -10.110 -1.249 1.853 1.00 0.00 C ATOM 1097 C VAL A 76 -10.240 -1.459 0.349 1.00 0.00 C ATOM 1098 O VAL A 76 -11.302 -1.232 -0.230 1.00 0.00 O ATOM 1099 CB VAL A 76 -9.581 0.173 2.118 1.00 0.00 C ATOM 1100 CG1 VAL A 76 -9.437 0.420 3.612 1.00 0.00 C ATOM 1101 CG2 VAL A 76 -8.255 0.389 1.403 1.00 0.00 C ATOM 0 H VAL A 76 -8.260 -2.176 2.195 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.090 -1.357 2.318 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.302 0.890 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.062 1.430 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -10.408 0.309 4.094 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.737 -0.301 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.895 1.399 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.524 -0.334 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.395 0.257 0.330 1.00 0.00 H new ATOM 1111 N TYR A 77 -9.153 -1.895 -0.278 1.00 0.00 N ATOM 1112 CA TYR A 77 -9.145 -2.135 -1.716 1.00 0.00 C ATOM 1113 C TYR A 77 -8.167 -3.248 -2.078 1.00 0.00 C ATOM 1114 O TYR A 77 -7.250 -3.557 -1.316 1.00 0.00 O ATOM 1115 CB TYR A 77 -8.776 -0.853 -2.466 1.00 0.00 C ATOM 1116 CG TYR A 77 -8.400 -1.084 -3.912 1.00 0.00 C ATOM 1117 CD1 TYR A 77 -7.176 -1.648 -4.251 1.00 0.00 C ATOM 1118 CD2 TYR A 77 -9.270 -0.740 -4.940 1.00 0.00 C ATOM 1119 CE1 TYR A 77 -6.829 -1.860 -5.571 1.00 0.00 C ATOM 1120 CE2 TYR A 77 -8.931 -0.950 -6.263 1.00 0.00 C ATOM 1121 CZ TYR A 77 -7.709 -1.510 -6.573 1.00 0.00 C ATOM 1122 OH TYR A 77 -7.367 -1.721 -7.889 1.00 0.00 O ATOM 0 H TYR A 77 -8.266 -2.089 0.187 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.147 -2.446 -2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.618 -0.162 -2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.943 -0.370 -1.955 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -6.484 -1.925 -3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.227 -0.301 -4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.873 -2.298 -5.817 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.619 -0.677 -7.050 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.098 -1.421 -8.469 1.00 0.00 H new ATOM 1132 N VAL A 78 -8.368 -3.848 -3.247 1.00 0.00 N ATOM 1133 CA VAL A 78 -7.504 -4.926 -3.712 1.00 0.00 C ATOM 1134 C VAL A 78 -7.545 -5.046 -5.232 1.00 0.00 C ATOM 1135 O VAL A 78 -8.581 -5.365 -5.812 1.00 0.00 O ATOM 1136 CB VAL A 78 -7.907 -6.276 -3.091 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -7.084 -7.407 -3.689 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -7.752 -6.234 -1.578 1.00 0.00 C ATOM 0 H VAL A 78 -9.122 -3.605 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.491 -4.678 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.956 -6.463 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.383 -8.353 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.252 -7.449 -4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.026 -7.230 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.041 -7.196 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.713 -6.024 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.391 -5.451 -1.168 1.00 0.00 H new ATOM 1148 N GLY A 79 -6.408 -4.787 -5.871 1.00 0.00 N ATOM 1149 CA GLY A 79 -6.334 -4.872 -7.318 1.00 0.00 C ATOM 1150 C GLY A 79 -4.911 -5.025 -7.818 1.00 0.00 C ATOM 1151 O GLY A 79 -3.997 -5.287 -7.037 1.00 0.00 O ATOM 0 H GLY A 79 -5.537 -4.520 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.929 -5.719 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.775 -3.976 -7.755 1.00 0.00 H new ATOM 1155 N GLU A 80 -4.724 -4.861 -9.124 1.00 0.00 N ATOM 1156 CA GLU A 80 -3.402 -4.985 -9.727 1.00 0.00 C ATOM 1157 C GLU A 80 -2.799 -3.611 -10.004 1.00 0.00 C ATOM 1158 O GLU A 80 -1.585 -3.429 -9.930 1.00 0.00 O ATOM 1159 CB GLU A 80 -3.484 -5.790 -11.026 1.00 0.00 C ATOM 1160 CG GLU A 80 -3.961 -7.219 -10.829 1.00 0.00 C ATOM 1161 CD GLU A 80 -5.401 -7.293 -10.361 1.00 0.00 C ATOM 1162 OE1 GLU A 80 -6.298 -6.910 -11.141 1.00 0.00 O ATOM 1163 OE2 GLU A 80 -5.632 -7.734 -9.216 1.00 0.00 O ATOM 0 H GLU A 80 -5.470 -4.642 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.757 -5.510 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.159 -5.283 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.501 -5.806 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.859 -7.765 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.320 -7.715 -10.100 1.00 0.00 H new ATOM 1170 N GLU A 81 -3.658 -2.648 -10.322 1.00 0.00 N ATOM 1171 CA GLU A 81 -3.210 -1.291 -10.611 1.00 0.00 C ATOM 1172 C GLU A 81 -2.249 -0.794 -9.535 1.00 0.00 C ATOM 1173 O GLU A 81 -2.127 -1.397 -8.468 1.00 0.00 O ATOM 1174 CB GLU A 81 -4.408 -0.345 -10.716 1.00 0.00 C ATOM 1175 CG GLU A 81 -4.983 -0.243 -12.118 1.00 0.00 C ATOM 1176 CD GLU A 81 -4.236 0.753 -12.984 1.00 0.00 C ATOM 1177 OE1 GLU A 81 -3.009 0.895 -12.801 1.00 0.00 O ATOM 1178 OE2 GLU A 81 -4.879 1.390 -13.845 1.00 0.00 O ATOM 0 H GLU A 81 -4.667 -2.782 -10.386 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.684 -1.306 -11.565 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.189 -0.685 -10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.106 0.648 -10.383 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.953 -1.224 -12.591 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.031 0.049 -12.056 1.00 0.00 H new ATOM 1185 N THR A 82 -1.566 0.309 -9.823 1.00 0.00 N ATOM 1186 CA THR A 82 -0.614 0.887 -8.882 1.00 0.00 C ATOM 1187 C THR A 82 -1.246 2.026 -8.090 1.00 0.00 C ATOM 1188 O THR A 82 -0.956 2.208 -6.909 1.00 0.00 O ATOM 1189 CB THR A 82 0.641 1.413 -9.604 1.00 0.00 C ATOM 1190 OG1 THR A 82 0.267 2.071 -10.819 1.00 0.00 O ATOM 1191 CG2 THR A 82 1.604 0.276 -9.912 1.00 0.00 C ATOM 0 H THR A 82 -1.654 0.821 -10.701 1.00 0.00 H new ATOM 0 HA THR A 82 -0.323 0.090 -8.198 1.00 0.00 H new ATOM 0 HB THR A 82 1.141 2.124 -8.946 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.070 2.404 -11.271 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.483 0.671 -10.422 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.909 -0.204 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.111 -0.455 -10.553 1.00 0.00 H new ATOM 1199 N ASN A 83 -2.112 2.789 -8.749 1.00 0.00 N ATOM 1200 CA ASN A 83 -2.785 3.912 -8.106 1.00 0.00 C ATOM 1201 C ASN A 83 -4.263 3.604 -7.883 1.00 0.00 C ATOM 1202 O ASN A 83 -4.961 3.167 -8.798 1.00 0.00 O ATOM 1203 CB ASN A 83 -2.638 5.176 -8.954 1.00 0.00 C ATOM 1204 CG ASN A 83 -3.801 6.133 -8.773 1.00 0.00 C ATOM 1205 OD1 ASN A 83 -4.687 6.218 -9.624 1.00 0.00 O ATOM 1206 ND2 ASN A 83 -3.803 6.858 -7.661 1.00 0.00 N ATOM 0 H ASN A 83 -2.364 2.650 -9.728 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.316 4.078 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.710 5.682 -8.689 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.560 4.898 -10.005 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.560 7.519 -7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.048 6.754 -6.983 1.00 0.00 H new ATOM 1213 N ILE A 84 -4.733 3.837 -6.662 1.00 0.00 N ATOM 1214 CA ILE A 84 -6.127 3.587 -6.320 1.00 0.00 C ATOM 1215 C ILE A 84 -6.627 4.587 -5.283 1.00 0.00 C ATOM 1216 O ILE A 84 -5.847 5.127 -4.497 1.00 0.00 O ATOM 1217 CB ILE A 84 -6.327 2.160 -5.778 1.00 0.00 C ATOM 1218 CG1 ILE A 84 -5.895 2.083 -4.312 1.00 0.00 C ATOM 1219 CG2 ILE A 84 -5.547 1.160 -6.619 1.00 0.00 C ATOM 1220 CD1 ILE A 84 -7.024 2.331 -3.336 1.00 0.00 C ATOM 0 H ILE A 84 -4.168 4.199 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.702 3.702 -7.239 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.386 1.909 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.468 1.099 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.106 2.814 -4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.698 0.156 -6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.897 1.200 -7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.486 1.407 -6.586 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.645 2.261 -2.316 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.437 3.326 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.804 1.585 -3.485 1.00 0.00 H new ATOM 1232 N THR A 85 -7.934 4.830 -5.285 1.00 0.00 N ATOM 1233 CA THR A 85 -8.539 5.765 -4.344 1.00 0.00 C ATOM 1234 C THR A 85 -9.267 5.026 -3.227 1.00 0.00 C ATOM 1235 O THR A 85 -10.067 4.126 -3.482 1.00 0.00 O ATOM 1236 CB THR A 85 -9.530 6.710 -5.050 1.00 0.00 C ATOM 1237 OG1 THR A 85 -8.815 7.725 -5.764 1.00 0.00 O ATOM 1238 CG2 THR A 85 -10.470 7.357 -4.045 1.00 0.00 C ATOM 0 H THR A 85 -8.594 4.392 -5.928 1.00 0.00 H new ATOM 0 HA THR A 85 -7.727 6.355 -3.918 1.00 0.00 H new ATOM 0 HB THR A 85 -10.122 6.122 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.452 8.321 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.160 8.020 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.034 6.583 -3.524 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.891 7.932 -3.323 1.00 0.00 H new ATOM 1246 N LEU A 86 -8.985 5.413 -1.988 1.00 0.00 N ATOM 1247 CA LEU A 86 -9.614 4.788 -0.829 1.00 0.00 C ATOM 1248 C LEU A 86 -10.993 5.385 -0.570 1.00 0.00 C ATOM 1249 O LEU A 86 -11.291 6.497 -1.005 1.00 0.00 O ATOM 1250 CB LEU A 86 -8.731 4.957 0.408 1.00 0.00 C ATOM 1251 CG LEU A 86 -7.488 4.069 0.473 1.00 0.00 C ATOM 1252 CD1 LEU A 86 -6.397 4.611 -0.437 1.00 0.00 C ATOM 1253 CD2 LEU A 86 -6.985 3.961 1.905 1.00 0.00 C ATOM 0 H LEU A 86 -8.325 6.156 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.733 3.725 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.412 5.998 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.338 4.763 1.292 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.759 3.071 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.520 3.966 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.760 4.637 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.128 5.619 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.100 3.325 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.731 4.953 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.763 3.527 2.532 1.00 0.00 H new ATOM 1265 N ASN A 87 -11.831 4.639 0.143 1.00 0.00 N ATOM 1266 CA ASN A 87 -13.179 5.095 0.461 1.00 0.00 C ATOM 1267 C ASN A 87 -13.646 4.522 1.796 1.00 0.00 C ATOM 1268 O ASN A 87 -13.032 3.603 2.338 1.00 0.00 O ATOM 1269 CB ASN A 87 -14.152 4.691 -0.648 1.00 0.00 C ATOM 1270 CG ASN A 87 -13.482 4.618 -2.007 1.00 0.00 C ATOM 1271 OD1 ASN A 87 -12.883 3.603 -2.361 1.00 0.00 O ATOM 1272 ND2 ASN A 87 -13.581 5.697 -2.774 1.00 0.00 N ATOM 0 H ASN A 87 -11.600 3.716 0.511 1.00 0.00 H new ATOM 0 HA ASN A 87 -13.159 6.182 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -14.589 3.721 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -14.971 5.409 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.150 5.707 -3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -14.088 6.516 -2.439 1.00 0.00 H new ATOM 1279 N ASP A 88 -14.736 5.071 2.320 1.00 0.00 N ATOM 1280 CA ASP A 88 -15.287 4.614 3.591 1.00 0.00 C ATOM 1281 C ASP A 88 -14.303 4.861 4.730 1.00 0.00 C ATOM 1282 O ASP A 88 -14.211 4.068 5.668 1.00 0.00 O ATOM 1283 CB ASP A 88 -15.635 3.127 3.515 1.00 0.00 C ATOM 1284 CG ASP A 88 -16.595 2.815 2.383 1.00 0.00 C ATOM 1285 OD1 ASP A 88 -17.340 3.727 1.967 1.00 0.00 O ATOM 1286 OD2 ASP A 88 -16.599 1.658 1.912 1.00 0.00 O ATOM 0 H ASP A 88 -15.256 5.833 1.885 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.196 5.182 3.790 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.721 2.549 3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.077 2.811 4.460 1.00 0.00 H new ATOM 1291 N LEU A 89 -13.567 5.964 4.641 1.00 0.00 N ATOM 1292 CA LEU A 89 -12.588 6.315 5.664 1.00 0.00 C ATOM 1293 C LEU A 89 -13.187 7.278 6.684 1.00 0.00 C ATOM 1294 O LEU A 89 -14.351 7.666 6.578 1.00 0.00 O ATOM 1295 CB LEU A 89 -11.350 6.942 5.020 1.00 0.00 C ATOM 1296 CG LEU A 89 -10.681 6.122 3.916 1.00 0.00 C ATOM 1297 CD1 LEU A 89 -9.328 6.717 3.556 1.00 0.00 C ATOM 1298 CD2 LEU A 89 -10.530 4.670 4.346 1.00 0.00 C ATOM 0 H LEU A 89 -13.630 6.630 3.871 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.297 5.401 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.631 7.910 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.614 7.131 5.802 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.316 6.153 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.866 6.121 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.462 7.740 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.685 6.717 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.052 4.102 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -9.916 4.619 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.513 4.248 4.553 1.00 0.00 H new ATOM 1310 N LYS A 90 -12.384 7.662 7.670 1.00 0.00 N ATOM 1311 CA LYS A 90 -12.833 8.583 8.708 1.00 0.00 C ATOM 1312 C LYS A 90 -12.122 9.928 8.586 1.00 0.00 C ATOM 1313 O LYS A 90 -10.896 10.017 8.652 1.00 0.00 O ATOM 1314 CB LYS A 90 -12.580 7.985 10.094 1.00 0.00 C ATOM 1315 CG LYS A 90 -13.696 7.073 10.575 1.00 0.00 C ATOM 1316 CD LYS A 90 -13.573 5.680 9.981 1.00 0.00 C ATOM 1317 CE LYS A 90 -14.235 4.636 10.867 1.00 0.00 C ATOM 1318 NZ LYS A 90 -14.409 3.337 10.160 1.00 0.00 N ATOM 0 H LYS A 90 -11.418 7.350 7.773 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.903 8.744 8.578 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.646 7.423 10.073 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.449 8.795 10.812 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.671 7.009 11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.660 7.502 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.031 5.663 8.992 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.520 5.431 9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.632 4.484 11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.207 5.003 11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.863 2.653 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -15.006 3.476 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.479 2.973 9.868 1.00 0.00 H new ATOM 1332 N PRO A 91 -12.909 10.999 8.405 1.00 0.00 N ATOM 1333 CA PRO A 91 -12.377 12.358 8.273 1.00 0.00 C ATOM 1334 C PRO A 91 -11.795 12.884 9.581 1.00 0.00 C ATOM 1335 O PRO A 91 -12.087 12.359 10.656 1.00 0.00 O ATOM 1336 CB PRO A 91 -13.601 13.181 7.864 1.00 0.00 C ATOM 1337 CG PRO A 91 -14.765 12.417 8.395 1.00 0.00 C ATOM 1338 CD PRO A 91 -14.378 10.966 8.317 1.00 0.00 C ATOM 0 HA PRO A 91 -11.556 12.405 7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.561 14.186 8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.660 13.291 6.781 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -14.987 12.707 9.422 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.662 12.614 7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.816 10.389 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.715 10.510 7.386 1.00 0.00 H new ATOM 1346 N ALA A 92 -10.972 13.922 9.483 1.00 0.00 N ATOM 1347 CA ALA A 92 -10.352 14.519 10.659 1.00 0.00 C ATOM 1348 C ALA A 92 -9.703 13.455 11.538 1.00 0.00 C ATOM 1349 O ALA A 92 -9.755 13.534 12.765 1.00 0.00 O ATOM 1350 CB ALA A 92 -11.381 15.308 11.455 1.00 0.00 C ATOM 0 H ALA A 92 -10.719 14.367 8.601 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.570 15.199 10.321 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.904 15.748 12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.795 16.100 10.831 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.182 14.642 11.775 1.00 0.00 H new ATOM 1356 N MET A 93 -9.093 12.461 10.902 1.00 0.00 N ATOM 1357 CA MET A 93 -8.434 11.381 11.627 1.00 0.00 C ATOM 1358 C MET A 93 -7.012 11.170 11.115 1.00 0.00 C ATOM 1359 O MET A 93 -6.622 11.733 10.092 1.00 0.00 O ATOM 1360 CB MET A 93 -9.234 10.084 11.492 1.00 0.00 C ATOM 1361 CG MET A 93 -9.208 9.221 12.743 1.00 0.00 C ATOM 1362 SD MET A 93 -9.288 7.458 12.372 1.00 0.00 S ATOM 1363 CE MET A 93 -11.018 7.123 12.693 1.00 0.00 C ATOM 0 H MET A 93 -9.041 12.381 9.886 1.00 0.00 H new ATOM 0 HA MET A 93 -8.385 11.661 12.679 1.00 0.00 H new ATOM 0 HB2 MET A 93 -10.268 10.328 11.250 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.839 9.508 10.655 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.297 9.429 13.305 1.00 0.00 H new ATOM 0 HG3 MET A 93 -10.047 9.492 13.384 1.00 0.00 H new ATOM 0 HE1 MET A 93 -11.384 6.384 11.980 1.00 0.00 H new ATOM 0 HE2 MET A 93 -11.132 6.737 13.706 1.00 0.00 H new ATOM 0 HE3 MET A 93 -11.592 8.044 12.589 1.00 0.00 H new ATOM 1373 N ASP A 94 -6.244 10.358 11.832 1.00 0.00 N ATOM 1374 CA ASP A 94 -4.866 10.073 11.449 1.00 0.00 C ATOM 1375 C ASP A 94 -4.532 8.602 11.678 1.00 0.00 C ATOM 1376 O ASP A 94 -4.526 8.126 12.813 1.00 0.00 O ATOM 1377 CB ASP A 94 -3.901 10.957 12.240 1.00 0.00 C ATOM 1378 CG ASP A 94 -2.479 10.870 11.723 1.00 0.00 C ATOM 1379 OD1 ASP A 94 -2.297 10.480 10.550 1.00 0.00 O ATOM 1380 OD2 ASP A 94 -1.548 11.192 12.490 1.00 0.00 O ATOM 0 H ASP A 94 -6.552 9.885 12.682 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.758 10.291 10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.239 11.992 12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -3.921 10.663 13.290 1.00 0.00 H new ATOM 1385 N TYR A 95 -4.255 7.888 10.593 1.00 0.00 N ATOM 1386 CA TYR A 95 -3.923 6.471 10.675 1.00 0.00 C ATOM 1387 C TYR A 95 -2.810 6.114 9.694 1.00 0.00 C ATOM 1388 O TYR A 95 -2.432 6.922 8.845 1.00 0.00 O ATOM 1389 CB TYR A 95 -5.161 5.618 10.390 1.00 0.00 C ATOM 1390 CG TYR A 95 -6.087 6.221 9.359 1.00 0.00 C ATOM 1391 CD1 TYR A 95 -6.791 7.388 9.626 1.00 0.00 C ATOM 1392 CD2 TYR A 95 -6.257 5.623 8.116 1.00 0.00 C ATOM 1393 CE1 TYR A 95 -7.639 7.942 8.686 1.00 0.00 C ATOM 1394 CE2 TYR A 95 -7.102 6.170 7.170 1.00 0.00 C ATOM 1395 CZ TYR A 95 -7.791 7.329 7.460 1.00 0.00 C ATOM 1396 OH TYR A 95 -8.634 7.878 6.521 1.00 0.00 O ATOM 0 H TYR A 95 -4.254 8.267 9.646 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.572 6.265 11.686 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.843 4.633 10.048 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.712 5.470 11.319 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.674 7.871 10.585 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.719 4.715 7.886 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -8.180 8.850 8.910 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.222 5.693 6.209 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.364 8.350 6.973 1.00 0.00 H new ATOM 1406 N HIS A 96 -2.289 4.897 9.816 1.00 0.00 N ATOM 1407 CA HIS A 96 -1.220 4.431 8.940 1.00 0.00 C ATOM 1408 C HIS A 96 -1.768 3.503 7.861 1.00 0.00 C ATOM 1409 O HIS A 96 -2.846 2.928 8.011 1.00 0.00 O ATOM 1410 CB HIS A 96 -0.145 3.709 9.753 1.00 0.00 C ATOM 1411 CG HIS A 96 0.516 4.578 10.778 1.00 0.00 C ATOM 1412 ND1 HIS A 96 -0.071 4.898 11.984 1.00 0.00 N ATOM 1413 CD2 HIS A 96 1.722 5.192 10.773 1.00 0.00 C ATOM 1414 CE1 HIS A 96 0.744 5.674 12.675 1.00 0.00 C ATOM 1415 NE2 HIS A 96 1.840 5.867 11.963 1.00 0.00 N ATOM 0 H HIS A 96 -2.590 4.216 10.513 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.776 5.300 8.455 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.594 2.850 10.252 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.614 3.322 9.073 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.455 5.158 9.981 1.00 0.00 H new ATOM 0 HE1 HIS A 96 0.548 6.082 13.656 1.00 0.00 H new ATOM 0 HE2 HIS A 96 2.643 6.426 12.250 1.00 0.00 H new ATOM 1424 N ALA A 97 -1.019 3.363 6.772 1.00 0.00 N ATOM 1425 CA ALA A 97 -1.429 2.504 5.668 1.00 0.00 C ATOM 1426 C ALA A 97 -0.247 1.712 5.119 1.00 0.00 C ATOM 1427 O ALA A 97 0.909 2.081 5.325 1.00 0.00 O ATOM 1428 CB ALA A 97 -2.070 3.333 4.564 1.00 0.00 C ATOM 0 H ALA A 97 -0.125 3.834 6.631 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.163 1.793 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.371 2.679 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.946 3.848 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.352 4.066 4.196 1.00 0.00 H new ATOM 1434 N LYS A 98 -0.544 0.622 4.421 1.00 0.00 N ATOM 1435 CA LYS A 98 0.494 -0.223 3.841 1.00 0.00 C ATOM 1436 C LYS A 98 -0.036 -0.982 2.629 1.00 0.00 C ATOM 1437 O LYS A 98 -1.240 -1.204 2.501 1.00 0.00 O ATOM 1438 CB LYS A 98 1.018 -1.211 4.886 1.00 0.00 C ATOM 1439 CG LYS A 98 1.970 -0.585 5.891 1.00 0.00 C ATOM 1440 CD LYS A 98 2.822 -1.637 6.581 1.00 0.00 C ATOM 1441 CE LYS A 98 2.158 -2.147 7.851 1.00 0.00 C ATOM 1442 NZ LYS A 98 1.286 -3.325 7.586 1.00 0.00 N ATOM 0 H LYS A 98 -1.496 0.302 4.243 1.00 0.00 H new ATOM 0 HA LYS A 98 1.311 0.420 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.172 -1.644 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.527 -2.030 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.615 0.132 5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.400 -0.030 6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.995 -2.470 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.797 -1.215 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.924 -2.418 8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.564 -1.349 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.306 -3.097 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.327 -3.567 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.616 -4.135 8.149 1.00 0.00 H new ATOM 1456 N VAL A 99 0.871 -1.379 1.742 1.00 0.00 N ATOM 1457 CA VAL A 99 0.495 -2.115 0.542 1.00 0.00 C ATOM 1458 C VAL A 99 1.270 -3.424 0.434 1.00 0.00 C ATOM 1459 O VAL A 99 2.500 -3.425 0.388 1.00 0.00 O ATOM 1460 CB VAL A 99 0.740 -1.280 -0.729 1.00 0.00 C ATOM 1461 CG1 VAL A 99 2.214 -1.296 -1.103 1.00 0.00 C ATOM 1462 CG2 VAL A 99 -0.116 -1.794 -1.877 1.00 0.00 C ATOM 0 H VAL A 99 1.872 -1.203 1.832 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.570 -2.332 0.625 1.00 0.00 H new ATOM 0 HB VAL A 99 0.453 -0.248 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.367 -0.701 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.801 -0.876 -0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.531 -2.322 -1.288 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.070 -1.193 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.137 -2.834 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.169 -1.724 -1.605 1.00 0.00 H new ATOM 1472 N GLN A 100 0.543 -4.535 0.393 1.00 0.00 N ATOM 1473 CA GLN A 100 1.163 -5.850 0.291 1.00 0.00 C ATOM 1474 C GLN A 100 0.976 -6.433 -1.106 1.00 0.00 C ATOM 1475 O GLN A 100 -0.088 -6.299 -1.708 1.00 0.00 O ATOM 1476 CB GLN A 100 0.573 -6.799 1.336 1.00 0.00 C ATOM 1477 CG GLN A 100 1.010 -8.244 1.162 1.00 0.00 C ATOM 1478 CD GLN A 100 -0.013 -9.231 1.689 1.00 0.00 C ATOM 1479 OE1 GLN A 100 -1.140 -9.297 1.197 1.00 0.00 O ATOM 1480 NE2 GLN A 100 0.375 -10.006 2.695 1.00 0.00 N ATOM 0 H GLN A 100 -0.476 -4.551 0.429 1.00 0.00 H new ATOM 0 HA GLN A 100 2.231 -5.735 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.863 -6.458 2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.515 -6.749 1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.188 -8.441 0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.957 -8.398 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.319 -9.918 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -0.270 -10.690 3.090 1.00 0.00 H new ATOM 1489 N ALA A 101 2.019 -7.082 -1.616 1.00 0.00 N ATOM 1490 CA ALA A 101 1.969 -7.686 -2.941 1.00 0.00 C ATOM 1491 C ALA A 101 1.721 -9.188 -2.849 1.00 0.00 C ATOM 1492 O ALA A 101 2.244 -9.859 -1.960 1.00 0.00 O ATOM 1493 CB ALA A 101 3.258 -7.407 -3.698 1.00 0.00 C ATOM 0 H ALA A 101 2.908 -7.202 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 101 1.138 -7.239 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.206 -7.864 -4.686 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.392 -6.330 -3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.101 -7.826 -3.148 1.00 0.00 H new ATOM 1499 N GLU A 102 0.922 -9.709 -3.775 1.00 0.00 N ATOM 1500 CA GLU A 102 0.605 -11.132 -3.797 1.00 0.00 C ATOM 1501 C GLU A 102 0.413 -11.625 -5.228 1.00 0.00 C ATOM 1502 O GLU A 102 -0.427 -11.109 -5.966 1.00 0.00 O ATOM 1503 CB GLU A 102 -0.657 -11.409 -2.976 1.00 0.00 C ATOM 1504 CG GLU A 102 -1.459 -12.599 -3.476 1.00 0.00 C ATOM 1505 CD GLU A 102 -0.665 -13.891 -3.446 1.00 0.00 C ATOM 1506 OE1 GLU A 102 -0.495 -14.457 -2.345 1.00 0.00 O ATOM 1507 OE2 GLU A 102 -0.214 -14.336 -4.522 1.00 0.00 O ATOM 0 H GLU A 102 0.483 -9.167 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 102 1.443 -11.671 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.374 -11.583 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.291 -10.523 -2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.354 -12.712 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.792 -12.405 -4.495 1.00 0.00 H new ATOM 1514 N TYR A 103 1.197 -12.626 -5.613 1.00 0.00 N ATOM 1515 CA TYR A 103 1.116 -13.188 -6.956 1.00 0.00 C ATOM 1516 C TYR A 103 1.339 -14.696 -6.930 1.00 0.00 C ATOM 1517 O TYR A 103 2.225 -15.192 -6.236 1.00 0.00 O ATOM 1518 CB TYR A 103 2.146 -12.524 -7.872 1.00 0.00 C ATOM 1519 CG TYR A 103 1.832 -12.672 -9.343 1.00 0.00 C ATOM 1520 CD1 TYR A 103 1.772 -13.926 -9.939 1.00 0.00 C ATOM 1521 CD2 TYR A 103 1.595 -11.557 -10.138 1.00 0.00 C ATOM 1522 CE1 TYR A 103 1.487 -14.065 -11.283 1.00 0.00 C ATOM 1523 CE2 TYR A 103 1.307 -11.687 -11.483 1.00 0.00 C ATOM 1524 CZ TYR A 103 1.255 -12.943 -12.051 1.00 0.00 C ATOM 1525 OH TYR A 103 0.969 -13.078 -13.390 1.00 0.00 O ATOM 0 H TYR A 103 1.896 -13.065 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 103 0.116 -12.994 -7.344 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.208 -11.464 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.127 -12.955 -7.673 1.00 0.00 H new ATOM 0 HD1 TYR A 103 1.951 -14.807 -9.341 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.637 -10.572 -9.697 1.00 0.00 H new ATOM 0 HE1 TYR A 103 1.446 -15.047 -11.730 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.124 -10.810 -12.086 1.00 0.00 H new ATOM 0 HH TYR A 103 0.831 -12.192 -13.786 1.00 0.00 H new ATOM 1535 N ASN A 104 0.528 -15.421 -7.694 1.00 0.00 N ATOM 1536 CA ASN A 104 0.635 -16.874 -7.760 1.00 0.00 C ATOM 1537 C ASN A 104 0.357 -17.503 -6.398 1.00 0.00 C ATOM 1538 O ASN A 104 1.030 -18.449 -5.991 1.00 0.00 O ATOM 1539 CB ASN A 104 2.027 -17.281 -8.247 1.00 0.00 C ATOM 1540 CG ASN A 104 2.225 -18.785 -8.240 1.00 0.00 C ATOM 1541 OD1 ASN A 104 1.381 -19.536 -8.728 1.00 0.00 O ATOM 1542 ND2 ASN A 104 3.346 -19.231 -7.684 1.00 0.00 N ATOM 0 H ASN A 104 -0.211 -15.026 -8.276 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.111 -17.237 -8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.181 -16.902 -9.257 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.781 -16.815 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.535 -20.233 -7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 104 4.018 -18.572 -7.292 1.00 0.00 H new ATOM 1549 N SER A 105 -0.640 -16.969 -5.699 1.00 0.00 N ATOM 1550 CA SER A 105 -1.006 -17.476 -4.381 1.00 0.00 C ATOM 1551 C SER A 105 0.144 -17.301 -3.394 1.00 0.00 C ATOM 1552 O SER A 105 0.248 -18.033 -2.409 1.00 0.00 O ATOM 1553 CB SER A 105 -1.397 -18.952 -4.469 1.00 0.00 C ATOM 1554 OG SER A 105 -2.708 -19.102 -4.987 1.00 0.00 O ATOM 0 H SER A 105 -1.208 -16.186 -6.023 1.00 0.00 H new ATOM 0 HA SER A 105 -1.861 -16.902 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.688 -19.482 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.339 -19.406 -3.480 1.00 0.00 H new ATOM 0 HG SER A 105 -2.934 -20.054 -5.035 1.00 0.00 H new ATOM 1560 N ILE A 106 1.005 -16.325 -3.664 1.00 0.00 N ATOM 1561 CA ILE A 106 2.146 -16.053 -2.800 1.00 0.00 C ATOM 1562 C ILE A 106 2.040 -14.668 -2.170 1.00 0.00 C ATOM 1563 O ILE A 106 2.321 -13.657 -2.815 1.00 0.00 O ATOM 1564 CB ILE A 106 3.474 -16.153 -3.573 1.00 0.00 C ATOM 1565 CG1 ILE A 106 3.615 -17.536 -4.211 1.00 0.00 C ATOM 1566 CG2 ILE A 106 4.648 -15.868 -2.647 1.00 0.00 C ATOM 1567 CD1 ILE A 106 4.817 -17.663 -5.120 1.00 0.00 C ATOM 0 H ILE A 106 0.933 -15.710 -4.474 1.00 0.00 H new ATOM 0 HA ILE A 106 2.135 -16.809 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 106 3.473 -15.406 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.685 -18.285 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.713 -17.757 -4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 106 5.580 -15.942 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 106 4.551 -14.863 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.655 -16.594 -1.834 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.853 -18.670 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.739 -16.937 -5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 106 5.726 -17.474 -4.549 1.00 0.00 H new ATOM 1579 N LYS A 107 1.636 -14.628 -0.905 1.00 0.00 N ATOM 1580 CA LYS A 107 1.496 -13.368 -0.185 1.00 0.00 C ATOM 1581 C LYS A 107 2.815 -12.965 0.467 1.00 0.00 C ATOM 1582 O LYS A 107 3.325 -13.662 1.342 1.00 0.00 O ATOM 1583 CB LYS A 107 0.403 -13.485 0.880 1.00 0.00 C ATOM 1584 CG LYS A 107 -0.985 -13.710 0.306 1.00 0.00 C ATOM 1585 CD LYS A 107 -2.066 -13.191 1.240 1.00 0.00 C ATOM 1586 CE LYS A 107 -3.368 -12.934 0.497 1.00 0.00 C ATOM 1587 NZ LYS A 107 -3.461 -11.529 0.012 1.00 0.00 N ATOM 0 H LYS A 107 1.399 -15.455 -0.357 1.00 0.00 H new ATOM 0 HA LYS A 107 1.215 -12.597 -0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.648 -14.309 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.395 -12.576 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.066 -13.210 -0.659 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.138 -14.774 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.237 -13.914 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.728 -12.269 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.444 -13.616 -0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.210 -13.148 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.362 -11.394 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.414 -10.878 0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.672 -11.333 -0.636 1.00 0.00 H new ATOM 1601 N GLY A 108 3.361 -11.832 0.034 1.00 0.00 N ATOM 1602 CA GLY A 108 4.615 -11.354 0.588 1.00 0.00 C ATOM 1603 C GLY A 108 4.410 -10.387 1.736 1.00 0.00 C ATOM 1604 O GLY A 108 3.281 -10.154 2.169 1.00 0.00 O ATOM 0 H GLY A 108 2.958 -11.237 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.203 -12.204 0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.192 -10.865 -0.197 1.00 0.00 H new ATOM 1608 N THR A 109 5.506 -9.822 2.234 1.00 0.00 N ATOM 1609 CA THR A 109 5.442 -8.876 3.342 1.00 0.00 C ATOM 1610 C THR A 109 5.148 -7.466 2.844 1.00 0.00 C ATOM 1611 O THR A 109 5.682 -7.015 1.831 1.00 0.00 O ATOM 1612 CB THR A 109 6.758 -8.862 4.144 1.00 0.00 C ATOM 1613 OG1 THR A 109 7.016 -10.162 4.685 1.00 0.00 O ATOM 1614 CG2 THR A 109 6.693 -7.841 5.270 1.00 0.00 C ATOM 0 H THR A 109 6.448 -10.003 1.888 1.00 0.00 H new ATOM 0 HA THR A 109 4.632 -9.204 3.993 1.00 0.00 H new ATOM 0 HB THR A 109 7.567 -8.584 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.855 -10.145 5.192 1.00 0.00 H new ATOM 0 HG21 THR A 109 7.632 -7.849 5.823 1.00 0.00 H new ATOM 0 HG22 THR A 109 6.526 -6.848 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.874 -8.094 5.943 1.00 0.00 H new ATOM 1622 N PRO A 110 4.278 -6.750 3.573 1.00 0.00 N ATOM 1623 CA PRO A 110 3.894 -5.379 3.225 1.00 0.00 C ATOM 1624 C PRO A 110 5.034 -4.388 3.432 1.00 0.00 C ATOM 1625 O PRO A 110 5.988 -4.667 4.158 1.00 0.00 O ATOM 1626 CB PRO A 110 2.742 -5.078 4.187 1.00 0.00 C ATOM 1627 CG PRO A 110 2.978 -5.977 5.352 1.00 0.00 C ATOM 1628 CD PRO A 110 3.603 -7.224 4.793 1.00 0.00 C ATOM 0 HA PRO A 110 3.624 -5.286 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.741 -4.031 4.489 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.776 -5.277 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 110 3.635 -5.505 6.082 1.00 0.00 H new ATOM 0 HG3 PRO A 110 2.043 -6.205 5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 110 4.308 -7.670 5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 110 2.854 -7.983 4.569 1.00 0.00 H new ATOM 1636 N SER A 111 4.928 -3.229 2.789 1.00 0.00 N ATOM 1637 CA SER A 111 5.953 -2.197 2.901 1.00 0.00 C ATOM 1638 C SER A 111 5.759 -1.374 4.171 1.00 0.00 C ATOM 1639 O SER A 111 4.852 -1.636 4.960 1.00 0.00 O ATOM 1640 CB SER A 111 5.919 -1.281 1.676 1.00 0.00 C ATOM 1641 OG SER A 111 4.590 -1.078 1.227 1.00 0.00 O ATOM 0 H SER A 111 4.144 -2.981 2.186 1.00 0.00 H new ATOM 0 HA SER A 111 6.925 -2.688 2.952 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.373 -0.321 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.514 -1.718 0.874 1.00 0.00 H new ATOM 0 HG SER A 111 4.025 -0.817 1.984 1.00 0.00 H new ATOM 1647 N GLU A 112 6.618 -0.378 4.360 1.00 0.00 N ATOM 1648 CA GLU A 112 6.543 0.483 5.534 1.00 0.00 C ATOM 1649 C GLU A 112 5.166 1.131 5.646 1.00 0.00 C ATOM 1650 O GLU A 112 4.406 1.171 4.679 1.00 0.00 O ATOM 1651 CB GLU A 112 7.624 1.565 5.472 1.00 0.00 C ATOM 1652 CG GLU A 112 9.024 1.041 5.740 1.00 0.00 C ATOM 1653 CD GLU A 112 9.531 0.135 4.635 1.00 0.00 C ATOM 1654 OE1 GLU A 112 9.380 0.504 3.451 1.00 0.00 O ATOM 1655 OE2 GLU A 112 10.077 -0.942 4.952 1.00 0.00 O ATOM 0 H GLU A 112 7.374 -0.147 3.715 1.00 0.00 H new ATOM 0 HA GLU A 112 6.708 -0.135 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.602 2.033 4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.390 2.342 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 112 9.707 1.883 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 112 9.029 0.495 6.683 1.00 0.00 H new ATOM 1662 N ALA A 113 4.851 1.636 6.834 1.00 0.00 N ATOM 1663 CA ALA A 113 3.567 2.283 7.073 1.00 0.00 C ATOM 1664 C ALA A 113 3.597 3.743 6.632 1.00 0.00 C ATOM 1665 O ALA A 113 4.611 4.424 6.779 1.00 0.00 O ATOM 1666 CB ALA A 113 3.191 2.183 8.544 1.00 0.00 C ATOM 0 H ALA A 113 5.468 1.609 7.646 1.00 0.00 H new ATOM 0 HA ALA A 113 2.812 1.766 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.230 2.670 8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.119 1.134 8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.954 2.673 9.149 1.00 0.00 H new ATOM 1672 N GLU A 114 2.479 4.216 6.090 1.00 0.00 N ATOM 1673 CA GLU A 114 2.379 5.594 5.626 1.00 0.00 C ATOM 1674 C GLU A 114 1.243 6.326 6.335 1.00 0.00 C ATOM 1675 O GLU A 114 0.074 6.169 5.983 1.00 0.00 O ATOM 1676 CB GLU A 114 2.158 5.632 4.112 1.00 0.00 C ATOM 1677 CG GLU A 114 2.088 7.038 3.542 1.00 0.00 C ATOM 1678 CD GLU A 114 0.795 7.747 3.893 1.00 0.00 C ATOM 1679 OE1 GLU A 114 -0.269 7.324 3.395 1.00 0.00 O ATOM 1680 OE2 GLU A 114 0.846 8.726 4.668 1.00 0.00 O ATOM 0 H GLU A 114 1.630 3.665 5.962 1.00 0.00 H new ATOM 0 HA GLU A 114 3.316 6.098 5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.967 5.090 3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.233 5.107 3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.930 7.620 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.190 6.992 2.458 1.00 0.00 H new ATOM 1687 N ILE A 115 1.597 7.126 7.336 1.00 0.00 N ATOM 1688 CA ILE A 115 0.608 7.882 8.095 1.00 0.00 C ATOM 1689 C ILE A 115 0.139 9.107 7.317 1.00 0.00 C ATOM 1690 O ILE A 115 0.949 9.913 6.860 1.00 0.00 O ATOM 1691 CB ILE A 115 1.169 8.335 9.456 1.00 0.00 C ATOM 1692 CG1 ILE A 115 0.059 8.951 10.310 1.00 0.00 C ATOM 1693 CG2 ILE A 115 2.304 9.329 9.257 1.00 0.00 C ATOM 1694 CD1 ILE A 115 0.433 9.106 11.767 1.00 0.00 C ATOM 0 H ILE A 115 2.560 7.267 7.640 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.238 7.216 8.264 1.00 0.00 H new ATOM 0 HB ILE A 115 1.563 7.463 9.978 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.200 9.929 9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.833 8.328 10.236 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.690 9.640 10.228 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.102 8.859 8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 115 1.934 10.201 8.718 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.401 9.549 12.312 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.664 8.128 12.189 1.00 0.00 H new ATOM 0 HD13 ILE A 115 1.306 9.753 11.852 1.00 0.00 H new ATOM 1706 N PHE A 116 -1.175 9.242 7.173 1.00 0.00 N ATOM 1707 CA PHE A 116 -1.753 10.370 6.452 1.00 0.00 C ATOM 1708 C PHE A 116 -3.016 10.871 7.148 1.00 0.00 C ATOM 1709 O PHE A 116 -3.885 10.085 7.525 1.00 0.00 O ATOM 1710 CB PHE A 116 -2.077 9.970 5.011 1.00 0.00 C ATOM 1711 CG PHE A 116 -3.121 8.896 4.907 1.00 0.00 C ATOM 1712 CD1 PHE A 116 -2.764 7.557 4.948 1.00 0.00 C ATOM 1713 CD2 PHE A 116 -4.460 9.224 4.769 1.00 0.00 C ATOM 1714 CE1 PHE A 116 -3.723 6.566 4.853 1.00 0.00 C ATOM 1715 CE2 PHE A 116 -5.424 8.237 4.674 1.00 0.00 C ATOM 1716 CZ PHE A 116 -5.055 6.907 4.715 1.00 0.00 C ATOM 0 H PHE A 116 -1.860 8.584 7.546 1.00 0.00 H new ATOM 0 HA PHE A 116 -1.020 11.176 6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.417 10.850 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.164 9.627 4.524 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.724 7.285 5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.754 10.263 4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -3.432 5.527 4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -6.465 8.506 4.568 1.00 0.00 H new ATOM 0 HZ PHE A 116 -5.806 6.135 4.639 1.00 0.00 H new ATOM 1726 N THR A 117 -3.109 12.186 7.316 1.00 0.00 N ATOM 1727 CA THR A 117 -4.263 12.794 7.967 1.00 0.00 C ATOM 1728 C THR A 117 -5.281 13.280 6.942 1.00 0.00 C ATOM 1729 O THR A 117 -4.930 13.963 5.979 1.00 0.00 O ATOM 1730 CB THR A 117 -3.845 13.977 8.861 1.00 0.00 C ATOM 1731 OG1 THR A 117 -2.825 13.563 9.776 1.00 0.00 O ATOM 1732 CG2 THR A 117 -5.038 14.518 9.635 1.00 0.00 C ATOM 0 H THR A 117 -2.399 12.851 7.010 1.00 0.00 H new ATOM 0 HA THR A 117 -4.718 12.022 8.588 1.00 0.00 H new ATOM 0 HB THR A 117 -3.458 14.769 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.564 14.321 10.340 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.719 15.353 10.259 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.801 14.859 8.935 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.450 13.730 10.266 1.00 0.00 H new ATOM 1740 N THR A 118 -6.544 12.926 7.154 1.00 0.00 N ATOM 1741 CA THR A 118 -7.613 13.326 6.248 1.00 0.00 C ATOM 1742 C THR A 118 -8.334 14.567 6.762 1.00 0.00 C ATOM 1743 O THR A 118 -8.373 14.820 7.967 1.00 0.00 O ATOM 1744 CB THR A 118 -8.639 12.194 6.055 1.00 0.00 C ATOM 1745 OG1 THR A 118 -9.272 11.888 7.302 1.00 0.00 O ATOM 1746 CG2 THR A 118 -7.970 10.946 5.500 1.00 0.00 C ATOM 0 H THR A 118 -6.852 12.362 7.946 1.00 0.00 H new ATOM 0 HA THR A 118 -7.146 13.551 5.289 1.00 0.00 H new ATOM 0 HB THR A 118 -9.390 12.532 5.341 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.774 11.051 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.715 10.160 5.372 1.00 0.00 H new ATOM 0 HG22 THR A 118 -7.515 11.175 4.536 1.00 0.00 H new ATOM 0 HG23 THR A 118 -7.200 10.607 6.193 1.00 0.00 H new ATOM 1754 N LEU A 119 -8.903 15.338 5.843 1.00 0.00 N ATOM 1755 CA LEU A 119 -9.624 16.554 6.204 1.00 0.00 C ATOM 1756 C LEU A 119 -10.965 16.221 6.850 1.00 0.00 C ATOM 1757 O LEU A 119 -11.331 15.052 6.976 1.00 0.00 O ATOM 1758 CB LEU A 119 -9.845 17.426 4.966 1.00 0.00 C ATOM 1759 CG LEU A 119 -9.973 16.683 3.636 1.00 0.00 C ATOM 1760 CD1 LEU A 119 -10.873 17.452 2.680 1.00 0.00 C ATOM 1761 CD2 LEU A 119 -8.602 16.458 3.016 1.00 0.00 C ATOM 0 H LEU A 119 -8.879 15.143 4.842 1.00 0.00 H new ATOM 0 HA LEU A 119 -9.020 17.104 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -10.749 18.016 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.015 18.129 4.888 1.00 0.00 H new ATOM 0 HG LEU A 119 -10.427 15.710 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -10.953 16.908 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -11.864 17.561 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -10.448 18.439 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.713 15.928 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.121 17.420 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.989 15.865 3.694 1.00 0.00 H new ATOM 1773 N SER A 120 -11.693 17.255 7.257 1.00 0.00 N ATOM 1774 CA SER A 120 -12.993 17.072 7.892 1.00 0.00 C ATOM 1775 C SER A 120 -14.114 17.121 6.859 1.00 0.00 C ATOM 1776 O SER A 120 -13.983 17.761 5.814 1.00 0.00 O ATOM 1777 CB SER A 120 -13.219 18.146 8.958 1.00 0.00 C ATOM 1778 OG SER A 120 -13.848 19.290 8.405 1.00 0.00 O ATOM 0 H SER A 120 -11.405 18.229 7.159 1.00 0.00 H new ATOM 0 HA SER A 120 -13.003 16.091 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.835 17.741 9.761 1.00 0.00 H new ATOM 0 HB3 SER A 120 -12.264 18.430 9.400 1.00 0.00 H new ATOM 0 HG SER A 120 -13.983 19.961 9.107 1.00 0.00 H new ATOM 1784 N CYS A 121 -15.216 16.442 7.157 1.00 0.00 N ATOM 1785 CA CYS A 121 -16.361 16.406 6.255 1.00 0.00 C ATOM 1786 C CYS A 121 -16.513 17.732 5.517 1.00 0.00 C ATOM 1787 O CYS A 121 -16.759 17.758 4.312 1.00 0.00 O ATOM 1788 CB CYS A 121 -17.640 16.091 7.032 1.00 0.00 C ATOM 1789 SG CYS A 121 -17.661 16.749 8.716 1.00 0.00 S ATOM 0 H CYS A 121 -15.341 15.908 8.017 1.00 0.00 H new ATOM 0 HA CYS A 121 -16.189 15.619 5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -18.493 16.493 6.485 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -17.770 15.010 7.074 1.00 0.00 H new ATOM 0 HG CYS A 121 -18.783 16.433 9.291 1.00 0.00 H new