USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1063 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 101 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 135 MET CE :methyl -149:sc= -1.28 (180deg=-2.28!) USER MOD Set 2.1: A 109 MET CE :methyl 146:sc= -0.171 (180deg=-1.92) USER MOD Set 2.2: A 148 LYS NZ :NH3+ -166:sc= -0.0366 (180deg=-0.285) USER MOD Set 3.1: A 58 ASN :FLIP amide:sc= -1.96! C(o=-7.9!,f=-7.6!) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= -5.68! C(o=-9.1!,f=-7.6!) USER MOD Set 4.1: A 41 GLN : amide:sc= -1.16 K(o=-3.4,f=-7) USER MOD Set 4.2: A 72 MET CE :methyl -126:sc= -2.23 (180deg=-4.34!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.48) USER MOD Single : A 13 LYS NZ :NH3+ 137:sc= -0.131 (180deg=-2.71!) USER MOD Single : A 18 GLN : amide:sc= -3.7! C(o=-3.7!,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0.0693 (180deg=-0.0502) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -122:sc= -1.05 (180deg=-3.66!) USER MOD Single : A 38 THR OG1 : rot -14:sc= 0.458 USER MOD Single : A 42 ASN : amide:sc= -1.12 K(o=-1.1,f=-5.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.13) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.796 F(o=-5.6!,f=-0.8) USER MOD Single : A 60 ASN :FLIP amide:sc= -1.58! C(o=-2.6!,f=-1.6!) USER MOD Single : A 62 GLN :FLIP amide:sc= -5.17! C(o=-9.3!,f=-5.2!) USER MOD Single : A 64 ASN : amide:sc= -4.01! C(o=-4!,f=-9.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot -27:sc= -0.317 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN :FLIP amide:sc= -3.13 F(o=-4.1!,f=-3.1) USER MOD Single : A 76 MET CE :methyl 172:sc= -0.875 (180deg=-1) USER MOD Single : A 85 MET CE :methyl -172:sc= -4.91! (180deg=-4.93!) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -0.0411 (180deg=-1.29) USER MOD Single : A 111 ASN :FLIP amide:sc= -0.143 F(o=-1.9!,f=-0.14) USER MOD Single : A 115 LYS NZ :NH3+ 164:sc= -0.0389 (180deg=-0.31) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 124 MET CE :methyl -108:sc= -0.483 (180deg=-1.46) USER MOD Single : A 137 ASN : amide:sc= -0.042 K(o=-0.042,f=-2.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 172:sc= -2.66! (180deg=-2.81!) USER MOD Single : A 146 SER OG : rot -32:sc= 0.0579 USER MOD Single : A 147 GLN : amide:sc= -0.311 K(o=-0.31,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 10.738 -14.440 2.443 1.00 0.87 N ATOM 13 CA GLU A 3 11.149 -14.192 3.825 1.00 0.57 C ATOM 14 C GLU A 3 12.594 -13.705 3.894 1.00 0.48 C ATOM 15 O GLU A 3 13.302 -13.678 2.887 1.00 0.55 O ATOM 16 CB GLU A 3 10.986 -15.457 4.675 1.00 0.70 C ATOM 17 CG GLU A 3 9.536 -15.848 4.922 1.00 1.23 C ATOM 18 CD GLU A 3 8.805 -16.234 3.651 1.00 1.78 C ATOM 19 OE1 GLU A 3 8.866 -17.422 3.268 1.00 2.20 O ATOM 20 OE2 GLU A 3 8.170 -15.349 3.039 1.00 2.49 O ATOM 0 HA GLU A 3 10.502 -13.411 4.224 1.00 0.57 H new ATOM 0 HB2 GLU A 3 11.496 -16.284 4.181 1.00 0.70 H new ATOM 0 HB3 GLU A 3 11.480 -15.305 5.635 1.00 0.70 H new ATOM 0 HG2 GLU A 3 9.504 -16.683 5.622 1.00 1.23 H new ATOM 0 HG3 GLU A 3 9.016 -15.015 5.396 1.00 1.23 H new ATOM 27 N LEU A 4 13.022 -13.323 5.094 1.00 0.44 N ATOM 28 CA LEU A 4 14.378 -12.829 5.309 1.00 0.39 C ATOM 29 C LEU A 4 15.352 -13.985 5.523 1.00 0.37 C ATOM 30 O LEU A 4 15.655 -14.353 6.659 1.00 0.45 O ATOM 31 CB LEU A 4 14.416 -11.886 6.521 1.00 0.47 C ATOM 32 CG LEU A 4 13.863 -10.471 6.290 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.734 -9.704 5.311 1.00 1.12 C ATOM 34 CD2 LEU A 4 12.428 -10.517 5.788 1.00 1.25 C ATOM 0 H LEU A 4 12.446 -13.346 5.936 1.00 0.44 H new ATOM 0 HA LEU A 4 14.682 -12.280 4.418 1.00 0.39 H new ATOM 0 HB2 LEU A 4 13.853 -12.347 7.333 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.449 -11.801 6.858 1.00 0.47 H new ATOM 0 HG LEU A 4 13.875 -9.953 7.249 1.00 0.43 H new ATOM 0 HD11 LEU A 4 14.323 -8.705 5.163 1.00 1.12 H new ATOM 0 HD12 LEU A 4 15.746 -9.625 5.709 1.00 1.12 H new ATOM 0 HD13 LEU A 4 14.760 -10.231 4.357 1.00 1.12 H new ATOM 0 HD21 LEU A 4 12.064 -9.501 5.634 1.00 1.25 H new ATOM 0 HD22 LEU A 4 12.390 -11.063 4.846 1.00 1.25 H new ATOM 0 HD23 LEU A 4 11.801 -11.019 6.524 1.00 1.25 H new ATOM 46 N THR A 5 15.838 -14.554 4.425 1.00 0.35 N ATOM 47 CA THR A 5 16.779 -15.667 4.487 1.00 0.37 C ATOM 48 C THR A 5 18.210 -15.180 4.274 1.00 0.35 C ATOM 49 O THR A 5 18.429 -14.168 3.622 1.00 0.39 O ATOM 50 CB THR A 5 16.437 -16.741 3.434 1.00 0.40 C ATOM 51 OG1 THR A 5 15.123 -17.257 3.673 1.00 0.46 O ATOM 52 CG2 THR A 5 17.445 -17.883 3.463 1.00 0.47 C ATOM 0 H THR A 5 15.595 -14.262 3.478 1.00 0.35 H new ATOM 0 HA THR A 5 16.698 -16.110 5.480 1.00 0.37 H new ATOM 0 HB THR A 5 16.476 -16.273 2.451 1.00 0.40 H new ATOM 0 HG1 THR A 5 14.911 -17.937 3.000 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.177 -18.624 2.710 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.441 -17.494 3.252 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.439 -18.349 4.448 1.00 0.47 H new ATOM 60 N GLU A 6 19.176 -15.910 4.824 1.00 0.36 N ATOM 61 CA GLU A 6 20.591 -15.547 4.709 1.00 0.37 C ATOM 62 C GLU A 6 20.942 -15.009 3.318 1.00 0.33 C ATOM 63 O GLU A 6 21.618 -13.988 3.189 1.00 0.34 O ATOM 64 CB GLU A 6 21.463 -16.761 5.028 1.00 0.45 C ATOM 65 CG GLU A 6 21.152 -17.979 4.173 1.00 0.87 C ATOM 66 CD GLU A 6 22.037 -19.166 4.504 1.00 0.98 C ATOM 67 OE1 GLU A 6 23.154 -19.247 3.952 1.00 1.20 O ATOM 68 OE2 GLU A 6 21.612 -20.014 5.316 1.00 1.17 O ATOM 0 H GLU A 6 19.006 -16.762 5.358 1.00 0.36 H new ATOM 0 HA GLU A 6 20.783 -14.749 5.426 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.510 -16.491 4.892 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.335 -17.023 6.078 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.108 -18.259 4.312 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.275 -17.721 3.121 1.00 0.87 H new ATOM 75 N GLU A 7 20.472 -15.698 2.285 1.00 0.34 N ATOM 76 CA GLU A 7 20.743 -15.307 0.906 1.00 0.35 C ATOM 77 C GLU A 7 20.053 -13.997 0.550 1.00 0.30 C ATOM 78 O GLU A 7 20.690 -13.053 0.083 1.00 0.30 O ATOM 79 CB GLU A 7 20.291 -16.411 -0.054 1.00 0.44 C ATOM 80 CG GLU A 7 18.902 -16.956 0.241 1.00 0.47 C ATOM 81 CD GLU A 7 18.428 -17.941 -0.808 1.00 0.57 C ATOM 82 OE1 GLU A 7 17.808 -17.500 -1.799 1.00 0.64 O ATOM 83 OE2 GLU A 7 18.675 -19.153 -0.639 1.00 0.61 O ATOM 0 H GLU A 7 19.898 -16.536 2.377 1.00 0.34 H new ATOM 0 HA GLU A 7 21.818 -15.159 0.809 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.309 -16.023 -1.072 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.008 -17.231 -0.012 1.00 0.44 H new ATOM 0 HG2 GLU A 7 18.906 -17.443 1.216 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.196 -16.128 0.302 1.00 0.47 H new ATOM 90 N GLN A 8 18.745 -13.950 0.769 1.00 0.30 N ATOM 91 CA GLN A 8 17.955 -12.764 0.471 1.00 0.30 C ATOM 92 C GLN A 8 18.475 -11.553 1.238 1.00 0.25 C ATOM 93 O GLN A 8 18.682 -10.486 0.663 1.00 0.24 O ATOM 94 CB GLN A 8 16.494 -13.027 0.816 1.00 0.35 C ATOM 95 CG GLN A 8 15.778 -13.867 -0.226 1.00 0.45 C ATOM 96 CD GLN A 8 14.396 -14.295 0.219 1.00 0.72 C ATOM 97 OE1 GLN A 8 14.227 -15.356 0.818 1.00 1.32 O ATOM 98 NE2 GLN A 8 13.398 -13.468 -0.072 1.00 1.02 N ATOM 0 H GLN A 8 18.207 -14.726 1.155 1.00 0.30 H new ATOM 0 HA GLN A 8 18.040 -12.544 -0.593 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.440 -13.532 1.781 1.00 0.35 H new ATOM 0 HB3 GLN A 8 15.975 -12.074 0.925 1.00 0.35 H new ATOM 0 HG2 GLN A 8 15.697 -13.298 -1.152 1.00 0.45 H new ATOM 0 HG3 GLN A 8 16.375 -14.752 -0.446 1.00 0.45 H new ATOM 0 HE21 GLN A 8 13.585 -12.598 -0.571 1.00 1.02 H new ATOM 0 HE22 GLN A 8 12.444 -13.703 0.203 1.00 1.02 H new ATOM 107 N ILE A 9 18.682 -11.733 2.538 1.00 0.25 N ATOM 108 CA ILE A 9 19.183 -10.665 3.392 1.00 0.26 C ATOM 109 C ILE A 9 20.435 -10.041 2.796 1.00 0.25 C ATOM 110 O ILE A 9 20.565 -8.822 2.744 1.00 0.27 O ATOM 111 CB ILE A 9 19.499 -11.178 4.811 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.226 -11.700 5.481 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.129 -10.071 5.647 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.472 -12.363 6.821 1.00 0.45 C ATOM 0 H ILE A 9 18.509 -12.613 3.024 1.00 0.25 H new ATOM 0 HA ILE A 9 18.397 -9.912 3.458 1.00 0.26 H new ATOM 0 HB ILE A 9 20.212 -11.999 4.735 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.532 -10.871 5.618 1.00 0.37 H new ATOM 0 HG13 ILE A 9 17.742 -12.415 4.815 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.346 -10.449 6.646 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.054 -9.740 5.175 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.438 -9.231 5.719 1.00 0.34 H new ATOM 0 HD11 ILE A 9 17.525 -12.708 7.236 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.141 -13.213 6.689 1.00 0.45 H new ATOM 0 HD13 ILE A 9 18.927 -11.646 7.504 1.00 0.45 H new ATOM 126 N ALA A 10 21.344 -10.890 2.340 1.00 0.26 N ATOM 127 CA ALA A 10 22.594 -10.433 1.749 1.00 0.28 C ATOM 128 C ALA A 10 22.381 -9.908 0.331 1.00 0.24 C ATOM 129 O ALA A 10 23.173 -9.109 -0.171 1.00 0.25 O ATOM 130 CB ALA A 10 23.602 -11.572 1.748 1.00 0.36 C ATOM 0 H ALA A 10 21.239 -11.904 2.368 1.00 0.26 H new ATOM 0 HA ALA A 10 22.978 -9.608 2.349 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.537 -11.230 1.306 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.783 -11.899 2.772 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.209 -12.405 1.166 1.00 0.36 H new ATOM 136 N GLU A 11 21.301 -10.351 -0.306 1.00 0.24 N ATOM 137 CA GLU A 11 20.997 -9.938 -1.673 1.00 0.25 C ATOM 138 C GLU A 11 20.588 -8.468 -1.745 1.00 0.22 C ATOM 139 O GLU A 11 21.199 -7.684 -2.476 1.00 0.22 O ATOM 140 CB GLU A 11 19.887 -10.818 -2.251 1.00 0.31 C ATOM 141 CG GLU A 11 19.550 -10.501 -3.698 1.00 0.40 C ATOM 142 CD GLU A 11 18.437 -11.376 -4.242 1.00 1.06 C ATOM 143 OE1 GLU A 11 17.255 -11.007 -4.072 1.00 1.93 O ATOM 144 OE2 GLU A 11 18.747 -12.429 -4.837 1.00 1.02 O ATOM 0 H GLU A 11 20.623 -10.995 0.101 1.00 0.24 H new ATOM 0 HA GLU A 11 21.905 -10.059 -2.264 1.00 0.25 H new ATOM 0 HB2 GLU A 11 20.188 -11.863 -2.178 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.989 -10.701 -1.644 1.00 0.31 H new ATOM 0 HG2 GLU A 11 19.257 -9.454 -3.778 1.00 0.40 H new ATOM 0 HG3 GLU A 11 20.442 -10.630 -4.312 1.00 0.40 H new ATOM 151 N PHE A 12 19.563 -8.088 -0.983 1.00 0.21 N ATOM 152 CA PHE A 12 19.098 -6.706 -0.995 1.00 0.23 C ATOM 153 C PHE A 12 20.030 -5.809 -0.189 1.00 0.20 C ATOM 154 O PHE A 12 20.156 -4.619 -0.476 1.00 0.22 O ATOM 155 CB PHE A 12 17.656 -6.593 -0.489 1.00 0.29 C ATOM 156 CG PHE A 12 17.433 -7.064 0.920 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.842 -6.296 1.999 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.789 -8.266 1.163 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.616 -6.722 3.292 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.557 -8.693 2.454 1.00 0.28 C ATOM 161 CZ PHE A 12 16.973 -7.920 3.519 1.00 0.33 C ATOM 0 H PHE A 12 19.047 -8.709 -0.359 1.00 0.21 H new ATOM 0 HA PHE A 12 19.111 -6.365 -2.030 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.344 -5.551 -0.560 1.00 0.29 H new ATOM 0 HB3 PHE A 12 17.009 -7.166 -1.153 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.343 -5.355 1.826 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.465 -8.876 0.333 1.00 0.27 H new ATOM 0 HE1 PHE A 12 17.943 -6.117 4.125 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.051 -9.630 2.631 1.00 0.28 H new ATOM 0 HZ PHE A 12 16.795 -8.254 4.531 1.00 0.33 H new ATOM 171 N LYS A 13 20.678 -6.381 0.822 1.00 0.18 N ATOM 172 CA LYS A 13 21.613 -5.625 1.639 1.00 0.21 C ATOM 173 C LYS A 13 22.753 -5.115 0.767 1.00 0.19 C ATOM 174 O LYS A 13 23.258 -4.008 0.963 1.00 0.24 O ATOM 175 CB LYS A 13 22.149 -6.493 2.782 1.00 0.26 C ATOM 176 CG LYS A 13 23.356 -5.903 3.490 1.00 0.31 C ATOM 177 CD LYS A 13 23.018 -4.581 4.160 1.00 0.40 C ATOM 178 CE LYS A 13 24.215 -4.014 4.899 1.00 0.68 C ATOM 179 NZ LYS A 13 25.387 -3.834 3.999 1.00 1.53 N ATOM 0 H LYS A 13 20.572 -7.359 1.091 1.00 0.18 H new ATOM 0 HA LYS A 13 21.097 -4.772 2.080 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.353 -6.649 3.510 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.415 -7.473 2.386 1.00 0.26 H new ATOM 0 HG2 LYS A 13 23.721 -6.608 4.237 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.163 -5.753 2.772 1.00 0.31 H new ATOM 0 HD2 LYS A 13 22.680 -3.867 3.409 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.193 -4.725 4.857 1.00 0.40 H new ATOM 0 HE2 LYS A 13 23.947 -3.055 5.343 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.485 -4.680 5.718 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 25.838 -2.918 4.196 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 26.071 -4.600 4.163 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 25.071 -3.858 3.008 1.00 1.53 H new ATOM 193 N ASP A 14 23.151 -5.937 -0.202 1.00 0.16 N ATOM 194 CA ASP A 14 24.211 -5.564 -1.128 1.00 0.19 C ATOM 195 C ASP A 14 23.720 -4.451 -2.047 1.00 0.18 C ATOM 196 O ASP A 14 24.367 -3.416 -2.193 1.00 0.20 O ATOM 197 CB ASP A 14 24.649 -6.774 -1.955 1.00 0.23 C ATOM 198 CG ASP A 14 25.781 -6.444 -2.908 1.00 0.30 C ATOM 199 OD1 ASP A 14 25.493 -6.030 -4.050 1.00 0.39 O ATOM 200 OD2 ASP A 14 26.955 -6.600 -2.512 1.00 0.38 O ATOM 0 H ASP A 14 22.755 -6.863 -0.364 1.00 0.16 H new ATOM 0 HA ASP A 14 25.069 -5.208 -0.558 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.964 -7.574 -1.285 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.798 -7.150 -2.523 1.00 0.23 H new ATOM 205 N ALA A 15 22.562 -4.672 -2.659 1.00 0.17 N ATOM 206 CA ALA A 15 21.974 -3.684 -3.553 1.00 0.19 C ATOM 207 C ALA A 15 21.672 -2.387 -2.805 1.00 0.20 C ATOM 208 O ALA A 15 21.427 -1.347 -3.416 1.00 0.24 O ATOM 209 CB ALA A 15 20.708 -4.239 -4.187 1.00 0.22 C ATOM 0 H ALA A 15 22.013 -5.525 -2.552 1.00 0.17 H new ATOM 0 HA ALA A 15 22.693 -3.461 -4.341 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.277 -3.492 -4.853 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.950 -5.137 -4.756 1.00 0.22 H new ATOM 0 HB3 ALA A 15 19.989 -4.487 -3.406 1.00 0.22 H new ATOM 215 N PHE A 16 21.695 -2.460 -1.476 1.00 0.21 N ATOM 216 CA PHE A 16 21.417 -1.300 -0.636 1.00 0.25 C ATOM 217 C PHE A 16 22.642 -0.395 -0.536 1.00 0.23 C ATOM 218 O PHE A 16 22.559 0.804 -0.795 1.00 0.24 O ATOM 219 CB PHE A 16 20.977 -1.759 0.757 1.00 0.31 C ATOM 220 CG PHE A 16 20.851 -0.645 1.759 1.00 0.35 C ATOM 221 CD1 PHE A 16 19.847 0.304 1.643 1.00 0.43 C ATOM 222 CD2 PHE A 16 21.738 -0.550 2.819 1.00 0.41 C ATOM 223 CE1 PHE A 16 19.730 1.325 2.567 1.00 0.52 C ATOM 224 CE2 PHE A 16 21.626 0.467 3.746 1.00 0.50 C ATOM 225 CZ PHE A 16 20.622 1.407 3.620 1.00 0.54 C ATOM 0 H PHE A 16 21.904 -3.313 -0.958 1.00 0.21 H new ATOM 0 HA PHE A 16 20.610 -0.726 -1.093 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.017 -2.268 0.674 1.00 0.31 H new ATOM 0 HB3 PHE A 16 21.694 -2.490 1.130 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.149 0.245 0.821 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.527 -1.281 2.921 1.00 0.41 H new ATOM 0 HE1 PHE A 16 18.943 2.058 2.467 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.323 0.527 4.569 1.00 0.50 H new ATOM 0 HZ PHE A 16 20.534 2.205 4.343 1.00 0.54 H new ATOM 235 N VAL A 17 23.776 -0.978 -0.160 1.00 0.23 N ATOM 236 CA VAL A 17 25.017 -0.219 -0.034 1.00 0.24 C ATOM 237 C VAL A 17 25.429 0.373 -1.375 1.00 0.23 C ATOM 238 O VAL A 17 26.118 1.392 -1.435 1.00 0.28 O ATOM 239 CB VAL A 17 26.162 -1.099 0.494 1.00 0.28 C ATOM 240 CG1 VAL A 17 25.944 -1.440 1.959 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.290 -2.362 -0.342 1.00 0.76 C ATOM 0 H VAL A 17 23.862 -1.970 0.062 1.00 0.23 H new ATOM 0 HA VAL A 17 24.828 0.584 0.678 1.00 0.24 H new ATOM 0 HB VAL A 17 27.094 -0.539 0.412 1.00 0.28 H new ATOM 0 HG11 VAL A 17 26.765 -2.063 2.314 1.00 0.90 H new ATOM 0 HG12 VAL A 17 25.906 -0.521 2.545 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.004 -1.980 2.071 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.105 -2.974 0.045 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.359 -2.926 -0.294 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.498 -2.093 -1.378 1.00 0.76 H new ATOM 251 N GLN A 18 25.004 -0.282 -2.447 1.00 0.20 N ATOM 252 CA GLN A 18 25.313 0.163 -3.799 1.00 0.21 C ATOM 253 C GLN A 18 24.709 1.537 -4.087 1.00 0.21 C ATOM 254 O GLN A 18 25.119 2.214 -5.031 1.00 0.26 O ATOM 255 CB GLN A 18 24.801 -0.863 -4.802 1.00 0.24 C ATOM 256 CG GLN A 18 25.803 -1.965 -5.119 1.00 0.29 C ATOM 257 CD GLN A 18 26.906 -2.113 -4.085 1.00 1.04 C ATOM 258 OE1 GLN A 18 27.888 -1.370 -4.096 1.00 1.86 O ATOM 259 NE2 GLN A 18 26.768 -3.100 -3.212 1.00 1.60 N ATOM 0 H GLN A 18 24.440 -1.131 -2.405 1.00 0.20 H new ATOM 0 HA GLN A 18 26.395 0.255 -3.892 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.889 -1.315 -4.412 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.533 -0.351 -5.726 1.00 0.24 H new ATOM 0 HG2 GLN A 18 25.271 -2.912 -5.205 1.00 0.29 H new ATOM 0 HG3 GLN A 18 26.254 -1.763 -6.090 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.938 -3.692 -3.238 1.00 1.60 H new ATOM 0 HE22 GLN A 18 27.492 -3.268 -2.513 1.00 1.60 H new ATOM 268 N PHE A 19 23.737 1.948 -3.276 1.00 0.22 N ATOM 269 CA PHE A 19 23.098 3.249 -3.455 1.00 0.25 C ATOM 270 C PHE A 19 23.477 4.208 -2.331 1.00 0.23 C ATOM 271 O PHE A 19 22.882 5.276 -2.186 1.00 0.32 O ATOM 272 CB PHE A 19 21.577 3.103 -3.523 1.00 0.29 C ATOM 273 CG PHE A 19 21.086 2.548 -4.831 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.210 3.285 -5.999 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.502 1.293 -4.895 1.00 0.44 C ATOM 276 CE1 PHE A 19 20.760 2.782 -7.204 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.050 0.785 -6.099 1.00 0.46 C ATOM 278 CZ PHE A 19 20.180 1.531 -7.254 1.00 0.42 C ATOM 0 H PHE A 19 23.376 1.403 -2.493 1.00 0.22 H new ATOM 0 HA PHE A 19 23.455 3.663 -4.398 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.246 2.452 -2.714 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.118 4.078 -3.356 1.00 0.29 H new ATOM 0 HD1 PHE A 19 21.664 4.264 -5.966 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.399 0.705 -3.995 1.00 0.44 H new ATOM 0 HE1 PHE A 19 20.862 3.367 -8.106 1.00 0.69 H new ATOM 0 HE2 PHE A 19 19.596 -0.194 -6.136 1.00 0.46 H new ATOM 0 HZ PHE A 19 19.828 1.136 -8.195 1.00 0.42 H new ATOM 288 N ASP A 20 24.472 3.821 -1.541 1.00 0.25 N ATOM 289 CA ASP A 20 24.936 4.649 -0.433 1.00 0.24 C ATOM 290 C ASP A 20 25.974 5.659 -0.912 1.00 0.24 C ATOM 291 O ASP A 20 27.144 5.321 -1.090 1.00 0.29 O ATOM 292 CB ASP A 20 25.528 3.768 0.668 1.00 0.28 C ATOM 293 CG ASP A 20 26.109 4.577 1.810 1.00 0.32 C ATOM 294 OD1 ASP A 20 27.304 4.929 1.738 1.00 0.37 O ATOM 295 OD2 ASP A 20 25.370 4.855 2.778 1.00 0.37 O ATOM 0 H ASP A 20 24.973 2.939 -1.647 1.00 0.25 H new ATOM 0 HA ASP A 20 24.084 5.197 -0.031 1.00 0.24 H new ATOM 0 HB2 ASP A 20 24.754 3.105 1.054 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.307 3.135 0.243 1.00 0.28 H new ATOM 300 N LYS A 21 25.539 6.899 -1.119 1.00 0.24 N ATOM 301 CA LYS A 21 26.434 7.955 -1.583 1.00 0.30 C ATOM 302 C LYS A 21 26.918 8.829 -0.429 1.00 0.29 C ATOM 303 O LYS A 21 28.104 9.148 -0.340 1.00 0.33 O ATOM 304 CB LYS A 21 25.738 8.823 -2.633 1.00 0.36 C ATOM 305 CG LYS A 21 25.768 8.234 -4.035 1.00 0.90 C ATOM 306 CD LYS A 21 24.902 6.990 -4.142 1.00 1.04 C ATOM 307 CE LYS A 21 24.962 6.393 -5.539 1.00 1.70 C ATOM 308 NZ LYS A 21 24.596 7.389 -6.585 1.00 2.47 N ATOM 0 H LYS A 21 24.574 7.197 -0.973 1.00 0.24 H new ATOM 0 HA LYS A 21 27.303 7.473 -2.031 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.701 8.975 -2.335 1.00 0.36 H new ATOM 0 HB3 LYS A 21 26.212 9.805 -2.651 1.00 0.36 H new ATOM 0 HG2 LYS A 21 25.422 8.980 -4.750 1.00 0.90 H new ATOM 0 HG3 LYS A 21 26.795 7.986 -4.304 1.00 0.90 H new ATOM 0 HD2 LYS A 21 25.233 6.250 -3.414 1.00 1.04 H new ATOM 0 HD3 LYS A 21 23.870 7.240 -3.895 1.00 1.04 H new ATOM 0 HE2 LYS A 21 25.967 6.018 -5.731 1.00 1.70 H new ATOM 0 HE3 LYS A 21 24.287 5.539 -5.598 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 24.533 6.915 -7.509 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 23.677 7.816 -6.352 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 25.322 8.132 -6.626 1.00 2.47 H new ATOM 322 N GLU A 22 25.999 9.212 0.451 1.00 0.27 N ATOM 323 CA GLU A 22 26.338 10.059 1.591 1.00 0.29 C ATOM 324 C GLU A 22 27.387 9.402 2.486 1.00 0.31 C ATOM 325 O GLU A 22 28.028 10.069 3.298 1.00 0.41 O ATOM 326 CB GLU A 22 25.085 10.380 2.406 1.00 0.31 C ATOM 327 CG GLU A 22 24.038 11.158 1.627 1.00 0.35 C ATOM 328 CD GLU A 22 24.548 12.503 1.145 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.433 13.488 1.903 1.00 0.93 O ATOM 330 OE2 GLU A 22 25.060 12.570 0.008 1.00 0.44 O ATOM 0 H GLU A 22 25.015 8.950 0.398 1.00 0.27 H new ATOM 0 HA GLU A 22 26.760 10.985 1.200 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.644 9.449 2.762 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.372 10.954 3.287 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.716 10.567 0.769 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.161 11.311 2.257 1.00 0.35 H new ATOM 337 N GLY A 23 27.558 8.093 2.333 1.00 0.31 N ATOM 338 CA GLY A 23 28.534 7.371 3.131 1.00 0.34 C ATOM 339 C GLY A 23 28.168 7.325 4.601 1.00 0.34 C ATOM 340 O GLY A 23 29.004 7.002 5.446 1.00 0.39 O ATOM 0 H GLY A 23 27.038 7.518 1.670 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.626 6.353 2.752 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.510 7.843 3.018 1.00 0.34 H new ATOM 344 N THR A 24 26.916 7.647 4.909 1.00 0.34 N ATOM 345 CA THR A 24 26.439 7.643 6.287 1.00 0.38 C ATOM 346 C THR A 24 25.649 6.376 6.594 1.00 0.36 C ATOM 347 O THR A 24 24.765 6.375 7.450 1.00 0.40 O ATOM 348 CB THR A 24 25.549 8.867 6.573 1.00 0.41 C ATOM 349 OG1 THR A 24 24.456 8.906 5.648 1.00 1.23 O ATOM 350 CG2 THR A 24 26.353 10.155 6.473 1.00 1.39 C ATOM 0 H THR A 24 26.212 7.915 4.221 1.00 0.34 H new ATOM 0 HA THR A 24 27.321 7.682 6.927 1.00 0.38 H new ATOM 0 HB THR A 24 25.161 8.778 7.588 1.00 0.41 H new ATOM 0 HG1 THR A 24 23.894 9.686 5.838 1.00 1.23 H new ATOM 0 HG21 THR A 24 25.704 11.006 6.679 1.00 1.39 H new ATOM 0 HG22 THR A 24 27.165 10.134 7.199 1.00 1.39 H new ATOM 0 HG23 THR A 24 26.767 10.249 5.469 1.00 1.39 H new ATOM 358 N GLY A 25 25.973 5.297 5.886 1.00 0.34 N ATOM 359 CA GLY A 25 25.278 4.040 6.092 1.00 0.37 C ATOM 360 C GLY A 25 23.853 4.085 5.577 1.00 0.31 C ATOM 361 O GLY A 25 23.115 3.106 5.682 1.00 0.36 O ATOM 0 H GLY A 25 26.703 5.272 5.175 1.00 0.34 H new ATOM 0 HA2 GLY A 25 25.820 3.240 5.588 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.271 3.800 7.155 1.00 0.37 H new ATOM 365 N LYS A 26 23.471 5.230 5.019 1.00 0.27 N ATOM 366 CA LYS A 26 22.130 5.416 4.482 1.00 0.23 C ATOM 367 C LYS A 26 22.180 5.809 3.009 1.00 0.21 C ATOM 368 O LYS A 26 23.181 6.343 2.533 1.00 0.24 O ATOM 369 CB LYS A 26 21.379 6.482 5.283 1.00 0.25 C ATOM 370 CG LYS A 26 21.039 6.058 6.703 1.00 0.29 C ATOM 371 CD LYS A 26 20.690 7.254 7.576 1.00 0.51 C ATOM 372 CE LYS A 26 19.310 7.803 7.247 1.00 0.89 C ATOM 373 NZ LYS A 26 19.051 9.102 7.926 1.00 1.58 N ATOM 0 H LYS A 26 24.076 6.046 4.927 1.00 0.27 H new ATOM 0 HA LYS A 26 21.599 4.468 4.566 1.00 0.23 H new ATOM 0 HB2 LYS A 26 21.983 7.388 5.320 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.457 6.734 4.759 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.200 5.363 6.685 1.00 0.29 H new ATOM 0 HG3 LYS A 26 21.885 5.525 7.137 1.00 0.29 H new ATOM 0 HD2 LYS A 26 20.725 6.962 8.626 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.436 8.036 7.438 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.219 7.933 6.169 1.00 0.89 H new ATOM 0 HE3 LYS A 26 18.551 7.080 7.546 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 18.100 9.441 7.675 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 19.112 8.973 8.956 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 19.759 9.800 7.622 1.00 1.58 H new ATOM 387 N ILE A 27 21.094 5.537 2.288 1.00 0.19 N ATOM 388 CA ILE A 27 21.022 5.864 0.867 1.00 0.20 C ATOM 389 C ILE A 27 19.964 6.925 0.600 1.00 0.19 C ATOM 390 O ILE A 27 19.008 7.068 1.360 1.00 0.23 O ATOM 391 CB ILE A 27 20.708 4.620 0.010 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.225 4.251 0.105 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.570 3.449 0.444 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.620 3.871 -1.225 1.00 0.54 C ATOM 0 H ILE A 27 20.256 5.093 2.663 1.00 0.19 H new ATOM 0 HA ILE A 27 22.003 6.249 0.587 1.00 0.20 H new ATOM 0 HB ILE A 27 20.935 4.857 -1.029 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.108 3.420 0.801 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.673 5.094 0.520 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.337 2.579 -0.170 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.622 3.707 0.323 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.371 3.219 1.491 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.568 3.621 -1.088 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.707 4.709 -1.917 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.148 3.009 -1.632 1.00 0.54 H new ATOM 406 N ALA A 28 20.141 7.667 -0.487 1.00 0.23 N ATOM 407 CA ALA A 28 19.202 8.717 -0.850 1.00 0.25 C ATOM 408 C ALA A 28 17.849 8.124 -1.242 1.00 0.25 C ATOM 409 O ALA A 28 17.781 7.141 -1.979 1.00 0.28 O ATOM 410 CB ALA A 28 19.763 9.556 -1.988 1.00 0.31 C ATOM 0 H ALA A 28 20.925 7.560 -1.130 1.00 0.23 H new ATOM 0 HA ALA A 28 19.054 9.359 0.018 1.00 0.25 H new ATOM 0 HB1 ALA A 28 19.050 10.338 -2.249 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.703 10.012 -1.675 1.00 0.31 H new ATOM 0 HB3 ALA A 28 19.939 8.921 -2.856 1.00 0.31 H new ATOM 416 N THR A 29 16.776 8.729 -0.737 1.00 0.28 N ATOM 417 CA THR A 29 15.418 8.277 -1.026 1.00 0.31 C ATOM 418 C THR A 29 15.126 8.324 -2.522 1.00 0.32 C ATOM 419 O THR A 29 14.231 7.636 -3.010 1.00 0.34 O ATOM 420 CB THR A 29 14.375 9.137 -0.290 1.00 0.39 C ATOM 421 OG1 THR A 29 14.528 10.514 -0.655 1.00 0.40 O ATOM 422 CG2 THR A 29 14.519 8.989 1.216 1.00 0.43 C ATOM 0 H THR A 29 16.823 9.540 -0.121 1.00 0.28 H new ATOM 0 HA THR A 29 15.348 7.247 -0.677 1.00 0.31 H new ATOM 0 HB THR A 29 13.383 8.793 -0.581 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.859 11.054 -0.184 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.772 9.606 1.715 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.373 7.945 1.495 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.516 9.310 1.519 1.00 0.43 H new ATOM 430 N ARG A 30 15.883 9.146 -3.242 1.00 0.35 N ATOM 431 CA ARG A 30 15.707 9.281 -4.683 1.00 0.40 C ATOM 432 C ARG A 30 16.353 8.108 -5.414 1.00 0.40 C ATOM 433 O ARG A 30 16.396 8.076 -6.644 1.00 0.52 O ATOM 434 CB ARG A 30 16.314 10.599 -5.170 1.00 0.46 C ATOM 435 CG ARG A 30 15.837 11.814 -4.391 1.00 0.50 C ATOM 436 CD ARG A 30 16.532 13.084 -4.858 1.00 0.73 C ATOM 437 NE ARG A 30 16.211 14.229 -4.009 1.00 1.71 N ATOM 438 CZ ARG A 30 16.977 15.312 -3.909 1.00 2.26 C ATOM 439 NH1 ARG A 30 18.105 15.397 -4.601 1.00 2.04 N ATOM 440 NH2 ARG A 30 16.617 16.311 -3.114 1.00 3.39 N ATOM 0 H ARG A 30 16.624 9.728 -2.851 1.00 0.35 H new ATOM 0 HA ARG A 30 14.639 9.281 -4.900 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.400 10.537 -5.100 1.00 0.46 H new ATOM 0 HB3 ARG A 30 16.069 10.734 -6.224 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.759 11.923 -4.510 1.00 0.50 H new ATOM 0 HG3 ARG A 30 16.027 11.664 -3.328 1.00 0.50 H new ATOM 0 HD2 ARG A 30 17.611 12.926 -4.861 1.00 0.73 H new ATOM 0 HD3 ARG A 30 16.238 13.301 -5.885 1.00 0.73 H new ATOM 0 HE ARG A 30 15.351 14.196 -3.462 1.00 1.71 H new ATOM 0 HH11 ARG A 30 18.387 14.631 -5.212 1.00 2.04 H new ATOM 0 HH12 ARG A 30 18.690 16.229 -4.522 1.00 2.04 H new ATOM 0 HH21 ARG A 30 15.751 16.250 -2.578 1.00 3.39 H new ATOM 0 HH22 ARG A 30 17.206 17.140 -3.039 1.00 3.39 H new ATOM 454 N GLU A 31 16.853 7.147 -4.644 1.00 0.33 N ATOM 455 CA GLU A 31 17.504 5.968 -5.205 1.00 0.36 C ATOM 456 C GLU A 31 16.763 4.696 -4.806 1.00 0.31 C ATOM 457 O GLU A 31 16.901 3.658 -5.454 1.00 0.33 O ATOM 458 CB GLU A 31 18.952 5.885 -4.725 1.00 0.42 C ATOM 459 CG GLU A 31 19.693 7.210 -4.775 1.00 0.52 C ATOM 460 CD GLU A 31 20.408 7.430 -6.094 1.00 1.10 C ATOM 461 OE1 GLU A 31 19.751 7.877 -7.057 1.00 1.12 O ATOM 462 OE2 GLU A 31 21.624 7.156 -6.163 1.00 2.01 O ATOM 0 H GLU A 31 16.819 7.162 -3.625 1.00 0.33 H new ATOM 0 HA GLU A 31 17.486 6.059 -6.291 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.964 5.511 -3.701 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.486 5.158 -5.336 1.00 0.42 H new ATOM 0 HG2 GLU A 31 18.987 8.023 -4.609 1.00 0.52 H new ATOM 0 HG3 GLU A 31 20.418 7.247 -3.962 1.00 0.52 H new ATOM 469 N LEU A 32 15.982 4.784 -3.731 1.00 0.31 N ATOM 470 CA LEU A 32 15.223 3.640 -3.234 1.00 0.33 C ATOM 471 C LEU A 32 14.345 3.053 -4.334 1.00 0.29 C ATOM 472 O LEU A 32 14.332 1.841 -4.547 1.00 0.29 O ATOM 473 CB LEU A 32 14.364 4.054 -2.032 1.00 0.40 C ATOM 474 CG LEU A 32 13.984 2.928 -1.057 1.00 0.57 C ATOM 475 CD1 LEU A 32 13.051 1.925 -1.716 1.00 1.39 C ATOM 476 CD2 LEU A 32 15.226 2.225 -0.524 1.00 1.39 C ATOM 0 H LEU A 32 15.859 5.638 -3.187 1.00 0.31 H new ATOM 0 HA LEU A 32 15.929 2.873 -2.915 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.899 4.824 -1.476 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.447 4.509 -2.405 1.00 0.40 H new ATOM 0 HG LEU A 32 13.459 3.383 -0.217 1.00 0.57 H new ATOM 0 HD11 LEU A 32 12.799 1.140 -1.003 1.00 1.39 H new ATOM 0 HD12 LEU A 32 12.140 2.431 -2.036 1.00 1.39 H new ATOM 0 HD13 LEU A 32 13.544 1.484 -2.582 1.00 1.39 H new ATOM 0 HD21 LEU A 32 14.929 1.433 0.163 1.00 1.39 H new ATOM 0 HD22 LEU A 32 15.785 1.794 -1.355 1.00 1.39 H new ATOM 0 HD23 LEU A 32 15.854 2.945 0.001 1.00 1.39 H new ATOM 488 N GLY A 33 13.609 3.919 -5.029 1.00 0.33 N ATOM 489 CA GLY A 33 12.743 3.460 -6.101 1.00 0.35 C ATOM 490 C GLY A 33 13.488 2.606 -7.106 1.00 0.33 C ATOM 491 O GLY A 33 12.966 1.598 -7.585 1.00 0.41 O ATOM 0 H GLY A 33 13.598 4.926 -4.869 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.917 2.887 -5.680 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.307 4.321 -6.609 1.00 0.35 H new ATOM 495 N THR A 34 14.712 3.012 -7.428 1.00 0.30 N ATOM 496 CA THR A 34 15.541 2.267 -8.366 1.00 0.31 C ATOM 497 C THR A 34 15.970 0.947 -7.739 1.00 0.27 C ATOM 498 O THR A 34 16.044 -0.084 -8.408 1.00 0.30 O ATOM 499 CB THR A 34 16.794 3.067 -8.772 1.00 0.37 C ATOM 500 OG1 THR A 34 16.408 4.323 -9.343 1.00 0.42 O ATOM 501 CG2 THR A 34 17.637 2.288 -9.770 1.00 0.41 C ATOM 0 H THR A 34 15.151 3.853 -7.053 1.00 0.30 H new ATOM 0 HA THR A 34 14.947 2.082 -9.261 1.00 0.31 H new ATOM 0 HB THR A 34 17.391 3.242 -7.877 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.209 4.827 -9.597 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.515 2.874 -10.040 1.00 0.41 H new ATOM 0 HG22 THR A 34 17.953 1.346 -9.322 1.00 0.41 H new ATOM 0 HG23 THR A 34 17.047 2.085 -10.664 1.00 0.41 H new ATOM 509 N LEU A 35 16.249 0.995 -6.442 1.00 0.27 N ATOM 510 CA LEU A 35 16.659 -0.185 -5.695 1.00 0.30 C ATOM 511 C LEU A 35 15.531 -1.211 -5.666 1.00 0.31 C ATOM 512 O LEU A 35 15.761 -2.401 -5.454 1.00 0.37 O ATOM 513 CB LEU A 35 17.051 0.216 -4.268 1.00 0.35 C ATOM 514 CG LEU A 35 17.295 -0.939 -3.295 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.366 -1.876 -3.829 1.00 1.23 C ATOM 516 CD2 LEU A 35 17.690 -0.401 -1.930 1.00 1.25 C ATOM 0 H LEU A 35 16.198 1.847 -5.883 1.00 0.27 H new ATOM 0 HA LEU A 35 17.521 -0.635 -6.187 1.00 0.30 H new ATOM 0 HB2 LEU A 35 17.955 0.822 -4.317 1.00 0.35 H new ATOM 0 HB3 LEU A 35 16.264 0.850 -3.860 1.00 0.35 H new ATOM 0 HG LEU A 35 16.369 -1.505 -3.193 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.523 -2.690 -3.121 1.00 1.23 H new ATOM 0 HD12 LEU A 35 18.046 -2.285 -4.787 1.00 1.23 H new ATOM 0 HD13 LEU A 35 19.297 -1.326 -3.962 1.00 1.23 H new ATOM 0 HD21 LEU A 35 17.861 -1.233 -1.247 1.00 1.25 H new ATOM 0 HD22 LEU A 35 18.603 0.187 -2.021 1.00 1.25 H new ATOM 0 HD23 LEU A 35 16.890 0.229 -1.542 1.00 1.25 H new ATOM 528 N MET A 36 14.311 -0.733 -5.886 1.00 0.35 N ATOM 529 CA MET A 36 13.137 -1.596 -5.885 1.00 0.43 C ATOM 530 C MET A 36 12.979 -2.333 -7.208 1.00 0.43 C ATOM 531 O MET A 36 12.839 -3.552 -7.229 1.00 0.54 O ATOM 532 CB MET A 36 11.882 -0.775 -5.600 1.00 0.56 C ATOM 533 CG MET A 36 11.750 -0.371 -4.146 1.00 0.59 C ATOM 534 SD MET A 36 11.706 -1.796 -3.047 1.00 1.21 S ATOM 535 CE MET A 36 11.043 -1.058 -1.561 1.00 0.72 C ATOM 0 H MET A 36 14.110 0.250 -6.068 1.00 0.35 H new ATOM 0 HA MET A 36 13.275 -2.339 -5.100 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.894 0.122 -6.220 1.00 0.56 H new ATOM 0 HB3 MET A 36 11.004 -1.352 -5.891 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.586 0.272 -3.872 1.00 0.59 H new ATOM 0 HG3 MET A 36 10.841 0.216 -4.015 1.00 0.59 H new ATOM 0 HE1 MET A 36 11.742 -1.207 -0.738 1.00 0.72 H new ATOM 0 HE2 MET A 36 10.893 0.010 -1.721 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.089 -1.526 -1.317 1.00 0.72 H new ATOM 545 N ARG A 37 12.992 -1.588 -8.305 1.00 0.42 N ATOM 546 CA ARG A 37 12.831 -2.181 -9.632 1.00 0.47 C ATOM 547 C ARG A 37 13.867 -3.278 -9.890 1.00 0.43 C ATOM 548 O ARG A 37 13.553 -4.298 -10.503 1.00 0.47 O ATOM 549 CB ARG A 37 12.917 -1.105 -10.718 1.00 0.55 C ATOM 550 CG ARG A 37 14.246 -0.371 -10.755 1.00 0.95 C ATOM 551 CD ARG A 37 14.268 0.688 -11.844 1.00 1.20 C ATOM 552 NE ARG A 37 13.977 0.128 -13.160 1.00 1.99 N ATOM 553 CZ ARG A 37 14.102 0.808 -14.296 1.00 2.52 C ATOM 554 NH1 ARG A 37 14.519 2.067 -14.279 1.00 2.46 N ATOM 555 NH2 ARG A 37 13.810 0.228 -15.452 1.00 3.51 N ATOM 0 H ARG A 37 13.112 -0.575 -8.306 1.00 0.42 H new ATOM 0 HA ARG A 37 11.843 -2.640 -9.667 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.742 -1.568 -11.689 1.00 0.55 H new ATOM 0 HB3 ARG A 37 12.118 -0.381 -10.562 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.432 0.096 -9.788 1.00 0.95 H new ATOM 0 HG3 ARG A 37 15.052 -1.085 -10.924 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.538 1.463 -11.611 1.00 1.20 H new ATOM 0 HD3 ARG A 37 15.247 1.168 -11.863 1.00 1.20 H new ATOM 0 HE ARG A 37 13.660 -0.840 -13.211 1.00 1.99 H new ATOM 0 HH11 ARG A 37 14.745 2.517 -13.392 1.00 2.46 H new ATOM 0 HH12 ARG A 37 14.613 2.585 -15.153 1.00 2.46 H new ATOM 0 HH21 ARG A 37 13.489 -0.740 -15.470 1.00 3.51 H new ATOM 0 HH22 ARG A 37 13.906 0.750 -16.323 1.00 3.51 H new ATOM 569 N THR A 38 15.096 -3.068 -9.425 1.00 0.39 N ATOM 570 CA THR A 38 16.158 -4.055 -9.616 1.00 0.39 C ATOM 571 C THR A 38 15.983 -5.252 -8.681 1.00 0.36 C ATOM 572 O THR A 38 16.614 -6.293 -8.865 1.00 0.39 O ATOM 573 CB THR A 38 17.557 -3.441 -9.400 1.00 0.40 C ATOM 574 OG1 THR A 38 18.561 -4.458 -9.500 1.00 0.46 O ATOM 575 CG2 THR A 38 17.652 -2.761 -8.044 1.00 0.32 C ATOM 0 H THR A 38 15.381 -2.231 -8.917 1.00 0.39 H new ATOM 0 HA THR A 38 16.081 -4.395 -10.649 1.00 0.39 H new ATOM 0 HB THR A 38 17.720 -2.691 -10.174 1.00 0.40 H new ATOM 0 HG1 THR A 38 18.138 -5.341 -9.453 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.648 -2.337 -7.918 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.909 -1.966 -7.983 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.467 -3.492 -7.257 1.00 0.32 H new ATOM 583 N LEU A 39 15.123 -5.095 -7.679 1.00 0.33 N ATOM 584 CA LEU A 39 14.859 -6.155 -6.706 1.00 0.34 C ATOM 585 C LEU A 39 13.418 -6.651 -6.817 1.00 0.40 C ATOM 586 O LEU A 39 12.542 -5.951 -7.320 1.00 0.43 O ATOM 587 CB LEU A 39 15.130 -5.654 -5.284 1.00 0.32 C ATOM 588 CG LEU A 39 16.569 -5.825 -4.784 1.00 0.44 C ATOM 589 CD1 LEU A 39 17.564 -5.172 -5.729 1.00 1.05 C ATOM 590 CD2 LEU A 39 16.711 -5.249 -3.386 1.00 1.15 C ATOM 0 H LEU A 39 14.593 -4.239 -7.518 1.00 0.33 H new ATOM 0 HA LEU A 39 15.529 -6.987 -6.924 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.871 -4.596 -5.235 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.462 -6.178 -4.600 1.00 0.32 H new ATOM 0 HG LEU A 39 16.790 -6.892 -4.752 1.00 0.44 H new ATOM 0 HD11 LEU A 39 18.575 -5.311 -5.346 1.00 1.05 H new ATOM 0 HD12 LEU A 39 17.483 -5.630 -6.715 1.00 1.05 H new ATOM 0 HD13 LEU A 39 17.348 -4.106 -5.805 1.00 1.05 H new ATOM 0 HD21 LEU A 39 17.738 -5.377 -3.042 1.00 1.15 H new ATOM 0 HD22 LEU A 39 16.463 -4.188 -3.403 1.00 1.15 H new ATOM 0 HD23 LEU A 39 16.034 -5.769 -2.708 1.00 1.15 H new ATOM 602 N GLY A 40 13.186 -7.877 -6.355 1.00 0.45 N ATOM 603 CA GLY A 40 11.856 -8.463 -6.409 1.00 0.52 C ATOM 604 C GLY A 40 10.806 -7.644 -5.676 1.00 0.49 C ATOM 605 O GLY A 40 9.620 -7.968 -5.723 1.00 0.64 O ATOM 0 H GLY A 40 13.899 -8.478 -5.942 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.558 -8.573 -7.452 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.890 -9.464 -5.980 1.00 0.52 H new ATOM 609 N GLN A 41 11.238 -6.586 -4.993 1.00 0.46 N ATOM 610 CA GLN A 41 10.318 -5.722 -4.256 1.00 0.44 C ATOM 611 C GLN A 41 9.726 -4.653 -5.167 1.00 0.48 C ATOM 612 O GLN A 41 10.412 -4.117 -6.039 1.00 1.01 O ATOM 613 CB GLN A 41 11.039 -5.062 -3.076 1.00 0.48 C ATOM 614 CG GLN A 41 11.022 -5.884 -1.796 1.00 0.54 C ATOM 615 CD GLN A 41 10.915 -7.378 -2.049 1.00 1.55 C ATOM 616 OE1 GLN A 41 11.921 -8.063 -2.236 1.00 2.37 O ATOM 617 NE2 GLN A 41 9.690 -7.892 -2.049 1.00 2.20 N ATOM 0 H GLN A 41 12.217 -6.307 -4.934 1.00 0.46 H new ATOM 0 HA GLN A 41 9.504 -6.340 -3.877 1.00 0.44 H new ATOM 0 HB2 GLN A 41 12.074 -4.871 -3.358 1.00 0.48 H new ATOM 0 HB3 GLN A 41 10.579 -4.094 -2.879 1.00 0.48 H new ATOM 0 HG2 GLN A 41 11.931 -5.682 -1.229 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.183 -5.565 -1.178 1.00 0.54 H new ATOM 0 HE21 GLN A 41 8.884 -7.288 -1.890 1.00 2.20 H new ATOM 0 HE22 GLN A 41 9.556 -8.891 -2.208 1.00 2.20 H new ATOM 626 N ASN A 42 8.449 -4.347 -4.959 1.00 0.52 N ATOM 627 CA ASN A 42 7.762 -3.341 -5.760 1.00 0.53 C ATOM 628 C ASN A 42 6.697 -2.616 -4.933 1.00 0.51 C ATOM 629 O ASN A 42 5.521 -2.980 -4.963 1.00 0.59 O ATOM 630 CB ASN A 42 7.128 -3.987 -6.997 1.00 0.66 C ATOM 631 CG ASN A 42 6.201 -5.139 -6.651 1.00 1.27 C ATOM 632 OD1 ASN A 42 6.384 -5.820 -5.642 1.00 2.15 O ATOM 633 ND2 ASN A 42 5.200 -5.365 -7.493 1.00 1.71 N ATOM 0 H ASN A 42 7.869 -4.782 -4.242 1.00 0.52 H new ATOM 0 HA ASN A 42 8.498 -2.606 -6.086 1.00 0.53 H new ATOM 0 HB2 ASN A 42 6.570 -3.231 -7.550 1.00 0.66 H new ATOM 0 HB3 ASN A 42 7.917 -4.347 -7.657 1.00 0.66 H new ATOM 0 HD21 ASN A 42 4.546 -6.127 -7.315 1.00 1.71 H new ATOM 0 HD22 ASN A 42 5.085 -4.776 -8.318 1.00 1.71 H new ATOM 640 N PRO A 43 7.101 -1.573 -4.180 1.00 0.47 N ATOM 641 CA PRO A 43 6.181 -0.789 -3.343 1.00 0.54 C ATOM 642 C PRO A 43 5.146 -0.038 -4.167 1.00 0.54 C ATOM 643 O PRO A 43 5.326 0.171 -5.366 1.00 0.64 O ATOM 644 CB PRO A 43 7.108 0.211 -2.641 1.00 0.53 C ATOM 645 CG PRO A 43 8.280 0.320 -3.550 1.00 0.46 C ATOM 646 CD PRO A 43 8.482 -1.066 -4.081 1.00 0.45 C ATOM 0 HA PRO A 43 5.611 -1.424 -2.665 1.00 0.54 H new ATOM 0 HB2 PRO A 43 6.621 1.176 -2.502 1.00 0.53 H new ATOM 0 HB3 PRO A 43 7.402 -0.144 -1.653 1.00 0.53 H new ATOM 0 HG2 PRO A 43 8.091 1.029 -4.356 1.00 0.46 H new ATOM 0 HG3 PRO A 43 9.163 0.672 -3.017 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.983 -1.061 -5.049 1.00 0.45 H new ATOM 0 HD3 PRO A 43 9.090 -1.673 -3.410 1.00 0.45 H new ATOM 654 N THR A 44 4.062 0.366 -3.515 1.00 0.59 N ATOM 655 CA THR A 44 3.009 1.113 -4.185 1.00 0.65 C ATOM 656 C THR A 44 3.464 2.545 -4.434 1.00 0.57 C ATOM 657 O THR A 44 4.204 3.109 -3.629 1.00 0.51 O ATOM 658 CB THR A 44 1.709 1.126 -3.357 1.00 0.78 C ATOM 659 OG1 THR A 44 1.311 -0.215 -3.047 1.00 1.05 O ATOM 660 CG2 THR A 44 0.590 1.826 -4.114 1.00 1.02 C ATOM 0 H THR A 44 3.891 0.188 -2.525 1.00 0.59 H new ATOM 0 HA THR A 44 2.805 0.618 -5.134 1.00 0.65 H new ATOM 0 HB THR A 44 1.901 1.673 -2.434 1.00 0.78 H new ATOM 0 HG1 THR A 44 0.485 -0.197 -2.519 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.317 1.822 -3.509 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.881 2.855 -4.324 1.00 1.02 H new ATOM 0 HG23 THR A 44 0.403 1.303 -5.052 1.00 1.02 H new ATOM 668 N GLU A 45 3.033 3.124 -5.550 1.00 0.61 N ATOM 669 CA GLU A 45 3.414 4.489 -5.901 1.00 0.61 C ATOM 670 C GLU A 45 3.314 5.418 -4.693 1.00 0.60 C ATOM 671 O GLU A 45 4.261 6.137 -4.372 1.00 0.56 O ATOM 672 CB GLU A 45 2.535 5.012 -7.037 1.00 0.75 C ATOM 673 CG GLU A 45 2.976 6.364 -7.572 1.00 1.33 C ATOM 674 CD GLU A 45 2.127 6.836 -8.736 1.00 2.16 C ATOM 675 OE1 GLU A 45 1.085 7.480 -8.487 1.00 2.69 O ATOM 676 OE2 GLU A 45 2.505 6.566 -9.895 1.00 2.64 O ATOM 0 H GLU A 45 2.420 2.670 -6.227 1.00 0.61 H new ATOM 0 HA GLU A 45 4.452 4.471 -6.233 1.00 0.61 H new ATOM 0 HB2 GLU A 45 2.540 4.288 -7.852 1.00 0.75 H new ATOM 0 HB3 GLU A 45 1.506 5.088 -6.684 1.00 0.75 H new ATOM 0 HG2 GLU A 45 2.928 7.101 -6.770 1.00 1.33 H new ATOM 0 HG3 GLU A 45 4.017 6.303 -7.888 1.00 1.33 H new ATOM 683 N ALA A 46 2.168 5.384 -4.022 1.00 0.66 N ATOM 684 CA ALA A 46 1.937 6.223 -2.852 1.00 0.70 C ATOM 685 C ALA A 46 2.970 5.966 -1.762 1.00 0.64 C ATOM 686 O ALA A 46 3.440 6.899 -1.114 1.00 0.66 O ATOM 687 CB ALA A 46 0.543 5.988 -2.303 1.00 0.83 C ATOM 0 H ALA A 46 1.382 4.782 -4.269 1.00 0.66 H new ATOM 0 HA ALA A 46 2.033 7.261 -3.170 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.384 6.621 -1.430 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.195 6.232 -3.067 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.436 4.942 -2.017 1.00 0.83 H new ATOM 693 N GLU A 47 3.319 4.698 -1.562 1.00 0.62 N ATOM 694 CA GLU A 47 4.289 4.326 -0.539 1.00 0.62 C ATOM 695 C GLU A 47 5.641 4.950 -0.840 1.00 0.50 C ATOM 696 O GLU A 47 6.209 5.663 -0.014 1.00 0.48 O ATOM 697 CB GLU A 47 4.429 2.805 -0.467 1.00 0.69 C ATOM 698 CG GLU A 47 5.513 2.341 0.493 1.00 0.75 C ATOM 699 CD GLU A 47 5.145 2.573 1.945 1.00 1.31 C ATOM 700 OE1 GLU A 47 5.396 3.687 2.451 1.00 2.23 O ATOM 701 OE2 GLU A 47 4.606 1.640 2.578 1.00 1.34 O ATOM 0 H GLU A 47 2.945 3.913 -2.094 1.00 0.62 H new ATOM 0 HA GLU A 47 3.933 4.697 0.422 1.00 0.62 H new ATOM 0 HB2 GLU A 47 3.475 2.374 -0.162 1.00 0.69 H new ATOM 0 HB3 GLU A 47 4.648 2.421 -1.463 1.00 0.69 H new ATOM 0 HG2 GLU A 47 5.702 1.279 0.335 1.00 0.75 H new ATOM 0 HG3 GLU A 47 6.441 2.867 0.269 1.00 0.75 H new ATOM 708 N LEU A 48 6.139 4.675 -2.036 1.00 0.45 N ATOM 709 CA LEU A 48 7.423 5.199 -2.471 1.00 0.39 C ATOM 710 C LEU A 48 7.436 6.721 -2.357 1.00 0.35 C ATOM 711 O LEU A 48 8.475 7.336 -2.107 1.00 0.34 O ATOM 712 CB LEU A 48 7.687 4.762 -3.908 1.00 0.40 C ATOM 713 CG LEU A 48 9.111 4.303 -4.204 1.00 0.66 C ATOM 714 CD1 LEU A 48 9.219 3.852 -5.650 1.00 1.42 C ATOM 715 CD2 LEU A 48 10.106 5.414 -3.907 1.00 1.39 C ATOM 0 H LEU A 48 5.669 4.088 -2.726 1.00 0.45 H new ATOM 0 HA LEU A 48 8.213 4.805 -1.831 1.00 0.39 H new ATOM 0 HB2 LEU A 48 7.004 3.949 -4.153 1.00 0.40 H new ATOM 0 HB3 LEU A 48 7.446 5.592 -4.572 1.00 0.40 H new ATOM 0 HG LEU A 48 9.350 3.459 -3.557 1.00 0.66 H new ATOM 0 HD11 LEU A 48 10.239 3.526 -5.854 1.00 1.42 H new ATOM 0 HD12 LEU A 48 8.531 3.025 -5.825 1.00 1.42 H new ATOM 0 HD13 LEU A 48 8.965 4.681 -6.310 1.00 1.42 H new ATOM 0 HD21 LEU A 48 11.116 5.066 -4.125 1.00 1.39 H new ATOM 0 HD22 LEU A 48 9.879 6.281 -4.528 1.00 1.39 H new ATOM 0 HD23 LEU A 48 10.037 5.693 -2.855 1.00 1.39 H new ATOM 727 N GLN A 49 6.261 7.317 -2.528 1.00 0.45 N ATOM 728 CA GLN A 49 6.108 8.763 -2.440 1.00 0.52 C ATOM 729 C GLN A 49 6.067 9.215 -0.987 1.00 0.54 C ATOM 730 O GLN A 49 6.461 10.332 -0.663 1.00 0.58 O ATOM 731 CB GLN A 49 4.826 9.198 -3.140 1.00 0.67 C ATOM 732 CG GLN A 49 4.889 9.087 -4.654 1.00 0.70 C ATOM 733 CD GLN A 49 5.896 10.042 -5.264 1.00 0.77 C ATOM 734 OE1 GLN A 49 5.565 11.178 -5.604 1.00 1.21 O ATOM 735 NE2 GLN A 49 7.135 9.585 -5.407 1.00 1.02 N ATOM 0 H GLN A 49 5.396 6.816 -2.730 1.00 0.45 H new ATOM 0 HA GLN A 49 6.966 9.224 -2.929 1.00 0.52 H new ATOM 0 HB2 GLN A 49 3.999 8.590 -2.774 1.00 0.67 H new ATOM 0 HB3 GLN A 49 4.607 10.231 -2.869 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.149 8.065 -4.930 1.00 0.70 H new ATOM 0 HG3 GLN A 49 3.902 9.289 -5.071 1.00 0.70 H new ATOM 0 HE21 GLN A 49 7.366 8.636 -5.112 1.00 1.02 H new ATOM 0 HE22 GLN A 49 7.855 10.183 -5.812 1.00 1.02 H new ATOM 744 N ASP A 50 5.584 8.336 -0.116 1.00 0.59 N ATOM 745 CA ASP A 50 5.484 8.644 1.306 1.00 0.68 C ATOM 746 C ASP A 50 6.863 8.884 1.899 1.00 0.59 C ATOM 747 O ASP A 50 7.072 9.850 2.633 1.00 0.57 O ATOM 748 CB ASP A 50 4.779 7.511 2.057 1.00 0.88 C ATOM 749 CG ASP A 50 3.291 7.462 1.770 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.619 8.501 1.943 1.00 1.09 O ATOM 751 OD2 ASP A 50 2.798 6.385 1.373 1.00 1.19 O ATOM 0 H ASP A 50 5.255 7.404 -0.370 1.00 0.59 H new ATOM 0 HA ASP A 50 4.893 9.554 1.414 1.00 0.68 H new ATOM 0 HB2 ASP A 50 5.231 6.559 1.779 1.00 0.88 H new ATOM 0 HB3 ASP A 50 4.935 7.637 3.128 1.00 0.88 H new ATOM 756 N LEU A 51 7.802 8.001 1.579 1.00 0.60 N ATOM 757 CA LEU A 51 9.162 8.131 2.082 1.00 0.64 C ATOM 758 C LEU A 51 9.876 9.316 1.442 1.00 0.54 C ATOM 759 O LEU A 51 10.509 10.112 2.134 1.00 0.64 O ATOM 760 CB LEU A 51 9.963 6.862 1.824 1.00 0.76 C ATOM 761 CG LEU A 51 9.640 6.154 0.520 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.909 5.871 -0.268 1.00 0.86 C ATOM 763 CD2 LEU A 51 8.889 4.869 0.809 1.00 0.84 C ATOM 0 H LEU A 51 7.647 7.192 0.977 1.00 0.60 H new ATOM 0 HA LEU A 51 9.093 8.298 3.157 1.00 0.64 H new ATOM 0 HB2 LEU A 51 11.024 7.112 1.831 1.00 0.76 H new ATOM 0 HB3 LEU A 51 9.793 6.169 2.648 1.00 0.76 H new ATOM 0 HG LEU A 51 9.009 6.803 -0.087 1.00 0.40 H new ATOM 0 HD11 LEU A 51 10.654 5.363 -1.198 1.00 0.86 H new ATOM 0 HD12 LEU A 51 11.414 6.810 -0.494 1.00 0.86 H new ATOM 0 HD13 LEU A 51 11.570 5.236 0.322 1.00 0.86 H new ATOM 0 HD21 LEU A 51 8.659 4.363 -0.129 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.506 4.219 1.430 1.00 0.84 H new ATOM 0 HD23 LEU A 51 7.962 5.100 1.334 1.00 0.84 H new ATOM 775 N ILE A 52 9.779 9.427 0.117 1.00 0.44 N ATOM 776 CA ILE A 52 10.433 10.520 -0.594 1.00 0.48 C ATOM 777 C ILE A 52 9.878 11.874 -0.172 1.00 0.53 C ATOM 778 O ILE A 52 10.603 12.859 -0.160 1.00 0.68 O ATOM 779 CB ILE A 52 10.288 10.391 -2.121 1.00 0.48 C ATOM 780 CG1 ILE A 52 10.932 9.092 -2.611 1.00 0.48 C ATOM 781 CG2 ILE A 52 10.914 11.598 -2.813 1.00 0.67 C ATOM 782 CD1 ILE A 52 10.727 8.829 -4.088 1.00 0.54 C ATOM 0 H ILE A 52 9.260 8.781 -0.478 1.00 0.44 H new ATOM 0 HA ILE A 52 11.488 10.455 -0.329 1.00 0.48 H new ATOM 0 HB ILE A 52 9.228 10.361 -2.371 1.00 0.48 H new ATOM 0 HG12 ILE A 52 12.001 9.126 -2.402 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.523 8.257 -2.042 1.00 0.48 H new ATOM 0 HG21 ILE A 52 10.805 11.495 -3.893 1.00 0.67 H new ATOM 0 HG22 ILE A 52 10.412 12.508 -2.483 1.00 0.67 H new ATOM 0 HG23 ILE A 52 11.972 11.655 -2.559 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.211 7.892 -4.361 1.00 0.54 H new ATOM 0 HD12 ILE A 52 9.660 8.762 -4.301 1.00 0.54 H new ATOM 0 HD13 ILE A 52 11.162 9.644 -4.666 1.00 0.54 H new ATOM 794 N ALA A 53 8.593 11.918 0.165 1.00 0.50 N ATOM 795 CA ALA A 53 7.955 13.166 0.573 1.00 0.60 C ATOM 796 C ALA A 53 8.335 13.543 1.999 1.00 0.64 C ATOM 797 O ALA A 53 8.658 14.697 2.280 1.00 0.73 O ATOM 798 CB ALA A 53 6.444 13.059 0.438 1.00 0.67 C ATOM 0 H ALA A 53 7.974 11.107 0.164 1.00 0.50 H new ATOM 0 HA ALA A 53 8.313 13.955 -0.088 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.984 13.998 0.746 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.185 12.852 -0.600 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.078 12.251 1.071 1.00 0.67 H new ATOM 804 N GLU A 54 8.288 12.567 2.898 1.00 0.63 N ATOM 805 CA GLU A 54 8.635 12.804 4.293 1.00 0.72 C ATOM 806 C GLU A 54 10.101 13.203 4.415 1.00 0.66 C ATOM 807 O GLU A 54 10.438 14.174 5.094 1.00 0.72 O ATOM 808 CB GLU A 54 8.357 11.554 5.131 1.00 0.81 C ATOM 809 CG GLU A 54 8.565 11.760 6.624 1.00 1.18 C ATOM 810 CD GLU A 54 8.248 10.518 7.433 1.00 1.71 C ATOM 811 OE1 GLU A 54 9.125 9.635 7.533 1.00 2.45 O ATOM 812 OE2 GLU A 54 7.123 10.429 7.968 1.00 1.82 O ATOM 0 H GLU A 54 8.014 11.608 2.687 1.00 0.63 H new ATOM 0 HA GLU A 54 8.018 13.621 4.668 1.00 0.72 H new ATOM 0 HB2 GLU A 54 7.330 11.232 4.957 1.00 0.81 H new ATOM 0 HB3 GLU A 54 9.006 10.747 4.791 1.00 0.81 H new ATOM 0 HG2 GLU A 54 9.599 12.054 6.806 1.00 1.18 H new ATOM 0 HG3 GLU A 54 7.935 12.582 6.965 1.00 1.18 H new ATOM 819 N ALA A 55 10.967 12.445 3.751 1.00 0.58 N ATOM 820 CA ALA A 55 12.401 12.713 3.774 1.00 0.56 C ATOM 821 C ALA A 55 12.780 13.823 2.794 1.00 0.58 C ATOM 822 O ALA A 55 13.893 14.347 2.839 1.00 0.62 O ATOM 823 CB ALA A 55 13.174 11.441 3.459 1.00 0.56 C ATOM 0 H ALA A 55 10.700 11.637 3.188 1.00 0.58 H new ATOM 0 HA ALA A 55 12.664 13.053 4.776 1.00 0.56 H new ATOM 0 HB1 ALA A 55 14.243 11.651 3.478 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.940 10.679 4.203 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.893 11.080 2.470 1.00 0.56 H new ATOM 829 N GLU A 56 11.847 14.164 1.903 1.00 0.59 N ATOM 830 CA GLU A 56 12.070 15.201 0.891 1.00 0.65 C ATOM 831 C GLU A 56 12.827 16.395 1.458 1.00 0.72 C ATOM 832 O GLU A 56 13.878 16.781 0.944 1.00 0.77 O ATOM 833 CB GLU A 56 10.733 15.692 0.326 1.00 0.72 C ATOM 834 CG GLU A 56 10.880 16.689 -0.813 1.00 0.82 C ATOM 835 CD GLU A 56 11.612 16.107 -2.006 1.00 1.52 C ATOM 836 OE1 GLU A 56 10.946 15.510 -2.878 1.00 1.79 O ATOM 837 OE2 GLU A 56 12.851 16.249 -2.068 1.00 2.45 O ATOM 0 H GLU A 56 10.923 13.734 1.861 1.00 0.59 H new ATOM 0 HA GLU A 56 12.671 14.749 0.101 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.160 14.834 -0.026 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.157 16.153 1.128 1.00 0.72 H new ATOM 0 HG2 GLU A 56 9.892 17.025 -1.126 1.00 0.82 H new ATOM 0 HG3 GLU A 56 11.417 17.567 -0.455 1.00 0.82 H new ATOM 844 N ASN A 57 12.285 16.973 2.522 1.00 0.77 N ATOM 845 CA ASN A 57 12.890 18.136 3.152 1.00 0.88 C ATOM 846 C ASN A 57 13.778 17.725 4.319 1.00 0.82 C ATOM 847 O ASN A 57 14.936 18.134 4.402 1.00 1.21 O ATOM 848 CB ASN A 57 11.803 19.101 3.626 1.00 1.17 C ATOM 849 CG ASN A 57 10.991 19.685 2.481 1.00 1.21 C ATOM 850 OD1 ASN A 57 10.746 18.888 1.441 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 10.577 20.843 2.534 1.00 1.19 N flip ATOM 0 H ASN A 57 11.425 16.653 2.967 1.00 0.77 H new ATOM 0 HA ASN A 57 13.514 18.639 2.414 1.00 0.88 H new ATOM 0 HB2 ASN A 57 11.134 18.579 4.310 1.00 1.17 H new ATOM 0 HB3 ASN A 57 12.265 19.913 4.189 1.00 1.17 H new ATOM 0 HD21 ASN A 57 10.785 21.422 3.347 1.00 1.19 H new ATOM 0 HD22 ASN A 57 10.026 21.223 1.765 1.00 1.19 H new ATOM 858 N ASN A 58 13.227 16.922 5.222 1.00 1.05 N ATOM 859 CA ASN A 58 13.975 16.455 6.381 1.00 1.01 C ATOM 860 C ASN A 58 15.250 15.742 5.943 1.00 0.95 C ATOM 861 O ASN A 58 15.213 14.878 5.068 1.00 1.57 O ATOM 862 CB ASN A 58 13.116 15.513 7.228 1.00 1.04 C ATOM 863 CG ASN A 58 13.868 14.957 8.422 1.00 1.42 C ATOM 864 OD1 ASN A 58 14.790 15.745 8.964 1.00 1.82 O flip ATOM 865 ND2 ASN A 58 13.621 13.832 8.856 1.00 1.89 N flip ATOM 0 H ASN A 58 12.267 16.582 5.173 1.00 1.05 H new ATOM 0 HA ASN A 58 14.247 17.322 6.983 1.00 1.01 H new ATOM 0 HB2 ASN A 58 12.232 16.047 7.576 1.00 1.04 H new ATOM 0 HB3 ASN A 58 12.766 14.688 6.607 1.00 1.04 H new ATOM 0 HD21 ASN A 58 12.905 13.259 8.410 1.00 1.89 H new ATOM 0 HD22 ASN A 58 14.133 13.473 9.662 1.00 1.89 H new ATOM 872 N ASN A 59 16.372 16.122 6.554 1.00 0.75 N ATOM 873 CA ASN A 59 17.677 15.537 6.240 1.00 0.73 C ATOM 874 C ASN A 59 17.917 15.476 4.729 1.00 0.84 C ATOM 875 O ASN A 59 17.175 16.069 3.946 1.00 1.76 O ATOM 876 CB ASN A 59 17.815 14.142 6.872 1.00 0.76 C ATOM 877 CG ASN A 59 16.815 13.135 6.340 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.192 12.434 5.280 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.719 12.987 6.879 1.00 0.92 N flip ATOM 0 H ASN A 59 16.403 16.841 7.277 1.00 0.75 H new ATOM 0 HA ASN A 59 18.441 16.186 6.668 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.824 13.769 6.694 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.693 14.227 7.952 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.471 13.549 7.693 1.00 0.92 H new ATOM 0 HD22 ASN A 59 15.058 12.302 6.511 1.00 0.92 H new ATOM 886 N ASN A 60 18.969 14.768 4.327 1.00 0.57 N ATOM 887 CA ASN A 60 19.314 14.632 2.913 1.00 0.52 C ATOM 888 C ASN A 60 18.514 13.502 2.264 1.00 0.42 C ATOM 889 O ASN A 60 18.956 12.881 1.300 1.00 0.53 O ATOM 890 CB ASN A 60 20.823 14.375 2.772 1.00 0.58 C ATOM 891 CG ASN A 60 21.256 14.094 1.343 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.420 12.814 1.013 1.00 1.99 O flip ATOM 893 ND2 ASN A 60 21.451 15.014 0.548 1.00 0.55 N flip ATOM 0 H ASN A 60 19.599 14.278 4.962 1.00 0.57 H new ATOM 0 HA ASN A 60 19.060 15.559 2.399 1.00 0.52 H new ATOM 0 HB2 ASN A 60 21.368 15.242 3.145 1.00 0.58 H new ATOM 0 HB3 ASN A 60 21.100 13.529 3.401 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.313 15.981 0.843 1.00 0.55 H new ATOM 0 HD22 ASN A 60 21.750 14.809 -0.405 1.00 0.55 H new ATOM 900 N GLY A 61 17.316 13.253 2.781 1.00 0.37 N ATOM 901 CA GLY A 61 16.508 12.176 2.248 1.00 0.33 C ATOM 902 C GLY A 61 17.298 10.889 2.233 1.00 0.27 C ATOM 903 O GLY A 61 17.657 10.386 1.175 1.00 0.33 O ATOM 0 H GLY A 61 16.895 13.772 3.551 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.609 12.052 2.852 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.181 12.422 1.238 1.00 0.33 H new ATOM 907 N GLN A 62 17.587 10.370 3.417 1.00 0.29 N ATOM 908 CA GLN A 62 18.374 9.156 3.555 1.00 0.25 C ATOM 909 C GLN A 62 17.559 8.028 4.191 1.00 0.29 C ATOM 910 O GLN A 62 16.583 8.276 4.899 1.00 0.42 O ATOM 911 CB GLN A 62 19.620 9.457 4.390 1.00 0.30 C ATOM 912 CG GLN A 62 20.687 10.237 3.642 1.00 0.31 C ATOM 913 CD GLN A 62 21.499 9.356 2.717 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.052 9.235 1.476 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.518 8.792 3.115 1.00 0.54 N flip ATOM 0 H GLN A 62 17.285 10.776 4.303 1.00 0.29 H new ATOM 0 HA GLN A 62 18.672 8.818 2.562 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.325 10.021 5.275 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.048 8.517 4.739 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.215 11.031 3.063 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.352 10.718 4.359 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.825 8.914 4.080 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.056 8.202 2.480 1.00 0.54 H new ATOM 924 N LEU A 63 17.969 6.789 3.924 1.00 0.28 N ATOM 925 CA LEU A 63 17.277 5.613 4.455 1.00 0.37 C ATOM 926 C LEU A 63 18.263 4.635 5.079 1.00 0.27 C ATOM 927 O LEU A 63 19.418 4.572 4.676 1.00 0.23 O ATOM 928 CB LEU A 63 16.505 4.915 3.340 1.00 0.57 C ATOM 929 CG LEU A 63 15.558 5.813 2.550 1.00 0.90 C ATOM 930 CD1 LEU A 63 15.202 5.160 1.228 1.00 1.58 C ATOM 931 CD2 LEU A 63 14.302 6.105 3.358 1.00 1.61 C ATOM 0 H LEU A 63 18.778 6.572 3.342 1.00 0.28 H new ATOM 0 HA LEU A 63 16.584 5.948 5.227 1.00 0.37 H new ATOM 0 HB2 LEU A 63 17.220 4.469 2.648 1.00 0.57 H new ATOM 0 HB3 LEU A 63 15.929 4.098 3.774 1.00 0.57 H new ATOM 0 HG LEU A 63 16.060 6.759 2.347 1.00 0.90 H new ATOM 0 HD11 LEU A 63 14.526 5.809 0.672 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.109 4.998 0.646 1.00 1.58 H new ATOM 0 HD13 LEU A 63 14.715 4.203 1.414 1.00 1.58 H new ATOM 0 HD21 LEU A 63 13.638 6.747 2.779 1.00 1.61 H new ATOM 0 HD22 LEU A 63 13.792 5.170 3.589 1.00 1.61 H new ATOM 0 HD23 LEU A 63 14.575 6.608 4.286 1.00 1.61 H new ATOM 943 N ASN A 64 17.786 3.832 6.021 1.00 0.31 N ATOM 944 CA ASN A 64 18.644 2.873 6.706 1.00 0.28 C ATOM 945 C ASN A 64 18.278 1.444 6.330 1.00 0.25 C ATOM 946 O ASN A 64 17.154 1.166 5.913 1.00 0.27 O ATOM 947 CB ASN A 64 18.529 3.032 8.226 1.00 0.41 C ATOM 948 CG ASN A 64 18.442 4.479 8.671 1.00 0.53 C ATOM 949 OD1 ASN A 64 17.745 5.289 8.063 1.00 1.34 O ATOM 950 ND2 ASN A 64 19.151 4.811 9.744 1.00 0.95 N ATOM 0 H ASN A 64 16.813 3.825 6.328 1.00 0.31 H new ATOM 0 HA ASN A 64 19.669 3.074 6.394 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.645 2.498 8.575 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.392 2.564 8.700 1.00 0.41 H new ATOM 0 HD21 ASN A 64 19.130 5.769 10.093 1.00 0.95 H new ATOM 0 HD22 ASN A 64 19.717 4.108 10.219 1.00 0.95 H new ATOM 957 N PHE A 65 19.249 0.547 6.468 1.00 0.25 N ATOM 958 CA PHE A 65 19.053 -0.863 6.156 1.00 0.26 C ATOM 959 C PHE A 65 17.775 -1.396 6.801 1.00 0.27 C ATOM 960 O PHE A 65 17.129 -2.295 6.265 1.00 0.31 O ATOM 961 CB PHE A 65 20.268 -1.667 6.631 1.00 0.32 C ATOM 962 CG PHE A 65 20.019 -3.143 6.770 1.00 0.30 C ATOM 963 CD1 PHE A 65 19.940 -3.956 5.652 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.868 -3.715 8.023 1.00 0.39 C ATOM 965 CE1 PHE A 65 19.713 -5.313 5.781 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.642 -5.071 8.158 1.00 0.45 C ATOM 967 CZ PHE A 65 19.564 -5.872 7.034 1.00 0.45 C ATOM 0 H PHE A 65 20.187 0.775 6.797 1.00 0.25 H new ATOM 0 HA PHE A 65 18.949 -0.970 5.076 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.087 -1.513 5.929 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.595 -1.274 7.593 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.057 -3.525 4.669 1.00 0.36 H new ATOM 0 HD2 PHE A 65 19.928 -3.093 8.904 1.00 0.39 H new ATOM 0 HE1 PHE A 65 19.652 -5.936 4.901 1.00 0.44 H new ATOM 0 HE2 PHE A 65 19.526 -5.505 9.140 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.387 -6.932 7.136 1.00 0.45 H new ATOM 977 N THR A 66 17.412 -0.830 7.948 1.00 0.28 N ATOM 978 CA THR A 66 16.213 -1.255 8.662 1.00 0.32 C ATOM 979 C THR A 66 14.950 -0.750 7.973 1.00 0.31 C ATOM 980 O THR A 66 13.924 -1.426 7.976 1.00 0.33 O ATOM 981 CB THR A 66 16.217 -0.760 10.120 1.00 0.38 C ATOM 982 OG1 THR A 66 17.474 -1.057 10.739 1.00 0.56 O ATOM 983 CG2 THR A 66 15.092 -1.410 10.913 1.00 0.52 C ATOM 0 H THR A 66 17.930 -0.078 8.402 1.00 0.28 H new ATOM 0 HA THR A 66 16.217 -2.345 8.656 1.00 0.32 H new ATOM 0 HB THR A 66 16.064 0.319 10.113 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.466 -0.737 11.665 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.114 -1.046 11.940 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.134 -1.158 10.459 1.00 0.52 H new ATOM 0 HG23 THR A 66 15.222 -2.492 10.909 1.00 0.52 H new ATOM 991 N GLU A 67 15.024 0.445 7.392 1.00 0.30 N ATOM 992 CA GLU A 67 13.878 1.021 6.700 1.00 0.33 C ATOM 993 C GLU A 67 13.498 0.171 5.493 1.00 0.30 C ATOM 994 O GLU A 67 12.349 -0.252 5.359 1.00 0.33 O ATOM 995 CB GLU A 67 14.171 2.458 6.265 1.00 0.36 C ATOM 996 CG GLU A 67 14.364 3.414 7.432 1.00 0.42 C ATOM 997 CD GLU A 67 14.280 4.870 7.014 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.154 5.358 6.787 1.00 1.22 O ATOM 999 OE2 GLU A 67 15.341 5.520 6.912 1.00 1.70 O ATOM 0 H GLU A 67 15.860 1.029 7.387 1.00 0.30 H new ATOM 0 HA GLU A 67 13.037 1.037 7.394 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.068 2.467 5.645 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.351 2.816 5.643 1.00 0.36 H new ATOM 0 HG2 GLU A 67 13.607 3.213 8.190 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.334 3.228 7.893 1.00 0.42 H new ATOM 1006 N PHE A 68 14.466 -0.075 4.614 1.00 0.27 N ATOM 1007 CA PHE A 68 14.223 -0.889 3.427 1.00 0.26 C ATOM 1008 C PHE A 68 13.831 -2.302 3.834 1.00 0.27 C ATOM 1009 O PHE A 68 12.777 -2.797 3.440 1.00 0.31 O ATOM 1010 CB PHE A 68 15.466 -0.922 2.531 1.00 0.26 C ATOM 1011 CG PHE A 68 15.314 -1.757 1.282 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.071 -1.908 0.687 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.404 -2.401 0.711 1.00 0.35 C ATOM 1014 CE1 PHE A 68 13.918 -2.681 -0.450 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.255 -3.176 -0.423 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.055 -3.278 -1.034 1.00 0.37 C ATOM 0 H PHE A 68 15.420 0.275 4.700 1.00 0.27 H new ATOM 0 HA PHE A 68 13.404 -0.443 2.863 1.00 0.26 H new ATOM 0 HB2 PHE A 68 15.718 0.098 2.242 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.306 -1.306 3.110 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.211 -1.416 1.117 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.381 -2.295 1.159 1.00 0.35 H new ATOM 0 HE1 PHE A 68 12.940 -2.826 -0.885 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.106 -3.705 -0.825 1.00 0.37 H new ATOM 0 HZ PHE A 68 14.966 -3.815 -1.967 1.00 0.37 H new ATOM 1026 N CYS A 69 14.681 -2.941 4.635 1.00 0.26 N ATOM 1027 CA CYS A 69 14.415 -4.295 5.099 1.00 0.28 C ATOM 1028 C CYS A 69 13.071 -4.349 5.808 1.00 0.29 C ATOM 1029 O CYS A 69 12.455 -5.408 5.923 1.00 0.34 O ATOM 1030 CB CYS A 69 15.519 -4.768 6.047 1.00 0.27 C ATOM 1031 SG CYS A 69 15.396 -6.512 6.508 1.00 0.49 S ATOM 0 H CYS A 69 15.556 -2.542 4.974 1.00 0.26 H new ATOM 0 HA CYS A 69 14.392 -4.956 4.233 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.487 -4.595 5.576 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.491 -4.161 6.952 1.00 0.27 H new ATOM 0 HG CYS A 69 14.154 -6.890 6.448 1.00 0.49 H new ATOM 1037 N GLY A 70 12.627 -3.192 6.290 1.00 0.31 N ATOM 1038 CA GLY A 70 11.353 -3.110 6.970 1.00 0.34 C ATOM 1039 C GLY A 70 10.210 -3.357 6.022 1.00 0.35 C ATOM 1040 O GLY A 70 9.379 -4.239 6.247 1.00 0.35 O ATOM 0 H GLY A 70 13.131 -2.308 6.220 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.322 -3.841 7.778 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.244 -2.126 7.426 1.00 0.34 H new ATOM 1044 N ILE A 71 10.175 -2.584 4.949 1.00 0.38 N ATOM 1045 CA ILE A 71 9.136 -2.730 3.953 1.00 0.41 C ATOM 1046 C ILE A 71 9.217 -4.093 3.295 1.00 0.41 C ATOM 1047 O ILE A 71 8.199 -4.685 2.939 1.00 0.45 O ATOM 1048 CB ILE A 71 9.236 -1.651 2.873 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.058 -0.271 3.505 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.198 -1.914 1.795 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.085 0.871 2.511 1.00 0.49 C ATOM 0 H ILE A 71 10.855 -1.851 4.749 1.00 0.38 H new ATOM 0 HA ILE A 71 8.181 -2.624 4.468 1.00 0.41 H new ATOM 0 HB ILE A 71 10.221 -1.679 2.406 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.110 -0.249 4.042 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.846 -0.116 4.242 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.269 -1.145 1.026 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.377 -2.892 1.348 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.202 -1.894 2.237 1.00 0.47 H new ATOM 0 HD11 ILE A 71 8.952 1.816 3.038 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.043 0.878 1.990 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.280 0.743 1.788 1.00 0.49 H new ATOM 1063 N MET A 72 10.436 -4.587 3.138 1.00 0.39 N ATOM 1064 CA MET A 72 10.644 -5.883 2.532 1.00 0.41 C ATOM 1065 C MET A 72 9.994 -6.918 3.414 1.00 0.42 C ATOM 1066 O MET A 72 9.246 -7.765 2.957 1.00 0.50 O ATOM 1067 CB MET A 72 12.135 -6.180 2.377 1.00 0.41 C ATOM 1068 CG MET A 72 12.865 -5.196 1.482 1.00 0.45 C ATOM 1069 SD MET A 72 14.435 -5.846 0.886 1.00 0.78 S ATOM 1070 CE MET A 72 13.876 -7.212 -0.128 1.00 0.36 C ATOM 0 H MET A 72 11.290 -4.108 3.422 1.00 0.39 H new ATOM 0 HA MET A 72 10.202 -5.900 1.536 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.601 -6.176 3.362 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.256 -7.185 1.971 1.00 0.41 H new ATOM 0 HG2 MET A 72 12.232 -4.944 0.631 1.00 0.45 H new ATOM 0 HG3 MET A 72 13.043 -4.272 2.032 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.376 -8.128 0.187 1.00 0.36 H new ATOM 0 HE2 MET A 72 12.798 -7.330 -0.017 1.00 0.36 H new ATOM 0 HE3 MET A 72 14.113 -7.011 -1.173 1.00 0.36 H new ATOM 1080 N ALA A 73 10.277 -6.817 4.697 1.00 0.41 N ATOM 1081 CA ALA A 73 9.710 -7.718 5.676 1.00 0.44 C ATOM 1082 C ALA A 73 8.201 -7.825 5.479 1.00 0.45 C ATOM 1083 O ALA A 73 7.627 -8.907 5.583 1.00 0.51 O ATOM 1084 CB ALA A 73 10.041 -7.208 7.064 1.00 0.46 C ATOM 0 H ALA A 73 10.903 -6.112 5.087 1.00 0.41 H new ATOM 0 HA ALA A 73 10.134 -8.714 5.553 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.618 -7.881 7.810 1.00 0.46 H new ATOM 0 HB2 ALA A 73 11.123 -7.165 7.187 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.621 -6.211 7.195 1.00 0.46 H new ATOM 1090 N LYS A 74 7.570 -6.694 5.164 1.00 0.42 N ATOM 1091 CA LYS A 74 6.122 -6.652 4.952 1.00 0.46 C ATOM 1092 C LYS A 74 5.724 -7.327 3.639 1.00 0.47 C ATOM 1093 O LYS A 74 4.913 -8.252 3.631 1.00 0.57 O ATOM 1094 CB LYS A 74 5.626 -5.203 4.939 1.00 0.50 C ATOM 1095 CG LYS A 74 6.416 -4.280 5.842 1.00 1.17 C ATOM 1096 CD LYS A 74 5.749 -2.924 5.976 1.00 1.08 C ATOM 1097 CE LYS A 74 6.428 -2.073 7.037 1.00 1.83 C ATOM 1098 NZ LYS A 74 5.807 -0.725 7.146 1.00 2.52 N ATOM 0 H LYS A 74 8.038 -5.795 5.050 1.00 0.42 H new ATOM 0 HA LYS A 74 5.660 -7.195 5.776 1.00 0.46 H new ATOM 0 HB2 LYS A 74 5.670 -4.823 3.918 1.00 0.50 H new ATOM 0 HB3 LYS A 74 4.579 -5.184 5.242 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.519 -4.734 6.827 1.00 1.17 H new ATOM 0 HG3 LYS A 74 7.422 -4.153 5.443 1.00 1.17 H new ATOM 0 HD2 LYS A 74 5.780 -2.406 5.018 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.698 -3.058 6.233 1.00 1.08 H new ATOM 0 HE2 LYS A 74 6.370 -2.579 8.001 1.00 1.83 H new ATOM 0 HE3 LYS A 74 7.486 -1.967 6.796 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 6.298 -0.175 7.880 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 5.885 -0.232 6.234 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 4.804 -0.825 7.401 1.00 2.52 H new ATOM 1112 N GLN A 75 6.302 -6.860 2.534 1.00 0.45 N ATOM 1113 CA GLN A 75 5.991 -7.411 1.216 1.00 0.50 C ATOM 1114 C GLN A 75 6.358 -8.892 1.121 1.00 0.52 C ATOM 1115 O GLN A 75 5.519 -9.729 0.786 1.00 0.67 O ATOM 1116 CB GLN A 75 6.714 -6.614 0.129 1.00 0.50 C ATOM 1117 CG GLN A 75 6.115 -5.234 -0.101 1.00 0.76 C ATOM 1118 CD GLN A 75 6.932 -4.386 -1.057 1.00 0.66 C ATOM 1119 OE1 GLN A 75 8.248 -4.559 -1.031 1.00 1.60 O flip ATOM 1120 NE2 GLN A 75 6.386 -3.574 -1.806 1.00 0.86 N flip ATOM 0 H GLN A 75 6.986 -6.104 2.525 1.00 0.45 H new ATOM 0 HA GLN A 75 4.914 -7.329 1.066 1.00 0.50 H new ATOM 0 HB2 GLN A 75 7.763 -6.506 0.404 1.00 0.50 H new ATOM 0 HB3 GLN A 75 6.685 -7.176 -0.805 1.00 0.50 H new ATOM 0 HG2 GLN A 75 5.104 -5.343 -0.494 1.00 0.76 H new ATOM 0 HG3 GLN A 75 6.031 -4.716 0.855 1.00 0.76 H new ATOM 0 HE21 GLN A 75 5.371 -3.472 -1.795 1.00 0.86 H new ATOM 0 HE22 GLN A 75 6.949 -3.004 -2.437 1.00 0.86 H new ATOM 1129 N MET A 76 7.616 -9.201 1.412 1.00 0.55 N ATOM 1130 CA MET A 76 8.110 -10.572 1.371 1.00 0.66 C ATOM 1131 C MET A 76 7.240 -11.500 2.220 1.00 0.71 C ATOM 1132 O MET A 76 6.995 -12.646 1.844 1.00 0.83 O ATOM 1133 CB MET A 76 9.562 -10.625 1.861 1.00 0.87 C ATOM 1134 CG MET A 76 10.475 -9.607 1.188 1.00 1.02 C ATOM 1135 SD MET A 76 12.010 -10.337 0.590 1.00 1.03 S ATOM 1136 CE MET A 76 12.822 -10.715 2.140 1.00 0.64 C ATOM 0 H MET A 76 8.319 -8.513 1.682 1.00 0.55 H new ATOM 0 HA MET A 76 8.065 -10.914 0.337 1.00 0.66 H new ATOM 0 HB2 MET A 76 9.579 -10.458 2.938 1.00 0.87 H new ATOM 0 HB3 MET A 76 9.958 -11.625 1.687 1.00 0.87 H new ATOM 0 HG2 MET A 76 9.947 -9.148 0.353 1.00 1.02 H new ATOM 0 HG3 MET A 76 10.708 -8.811 1.895 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.721 -11.300 1.947 1.00 0.64 H new ATOM 0 HE2 MET A 76 13.094 -9.788 2.644 1.00 0.64 H new ATOM 0 HE3 MET A 76 12.146 -11.288 2.775 1.00 0.64 H new ATOM 1240 N GLU A 83 2.199 -13.550 -7.377 1.00 7.37 N ATOM 1241 CA GLU A 83 1.233 -13.352 -8.455 1.00 8.31 C ATOM 1242 C GLU A 83 1.680 -14.063 -9.728 1.00 8.90 C ATOM 1243 O GLU A 83 0.876 -14.695 -10.413 1.00 9.79 O ATOM 1244 CB GLU A 83 1.044 -11.859 -8.734 1.00 8.42 C ATOM 1245 CG GLU A 83 0.592 -11.068 -7.518 1.00 8.14 C ATOM 1246 CD GLU A 83 0.408 -9.594 -7.820 1.00 8.51 C ATOM 1247 OE1 GLU A 83 -0.675 -9.219 -8.317 1.00 9.06 O ATOM 1248 OE2 GLU A 83 1.349 -8.813 -7.558 1.00 8.45 O ATOM 0 HA GLU A 83 0.283 -13.780 -8.136 1.00 8.31 H new ATOM 0 HB2 GLU A 83 1.983 -11.444 -9.099 1.00 8.42 H new ATOM 0 HB3 GLU A 83 0.310 -11.736 -9.531 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -0.347 -11.480 -7.149 1.00 8.14 H new ATOM 0 HG3 GLU A 83 1.326 -11.183 -6.720 1.00 8.14 H new ATOM 1255 N GLU A 84 2.969 -13.955 -10.038 1.00 8.58 N ATOM 1256 CA GLU A 84 3.525 -14.587 -11.229 1.00 9.37 C ATOM 1257 C GLU A 84 3.449 -16.105 -11.128 1.00 9.77 C ATOM 1258 O GLU A 84 3.239 -16.797 -12.126 1.00 10.65 O ATOM 1259 CB GLU A 84 4.978 -14.154 -11.425 1.00 9.24 C ATOM 1260 CG GLU A 84 5.140 -12.665 -11.687 1.00 9.88 C ATOM 1261 CD GLU A 84 6.581 -12.271 -11.942 1.00 10.30 C ATOM 1262 OE1 GLU A 84 7.290 -11.947 -10.966 1.00 10.41 O ATOM 1263 OE2 GLU A 84 7.001 -12.288 -13.118 1.00 10.72 O ATOM 0 H GLU A 84 3.647 -13.436 -9.481 1.00 8.58 H new ATOM 0 HA GLU A 84 2.934 -14.268 -12.088 1.00 9.37 H new ATOM 0 HB2 GLU A 84 5.551 -14.423 -10.538 1.00 9.24 H new ATOM 0 HB3 GLU A 84 5.404 -14.710 -12.260 1.00 9.24 H new ATOM 0 HG2 GLU A 84 4.533 -12.383 -12.547 1.00 9.88 H new ATOM 0 HG3 GLU A 84 4.760 -12.106 -10.832 1.00 9.88 H new ATOM 1270 N MET A 85 3.618 -16.616 -9.914 1.00 9.28 N ATOM 1271 CA MET A 85 3.573 -18.053 -9.673 1.00 9.90 C ATOM 1272 C MET A 85 2.157 -18.581 -9.854 1.00 10.59 C ATOM 1273 O MET A 85 1.943 -19.582 -10.537 1.00 11.45 O ATOM 1274 CB MET A 85 4.079 -18.363 -8.265 1.00 9.48 C ATOM 1275 CG MET A 85 5.411 -17.704 -7.944 1.00 8.93 C ATOM 1276 SD MET A 85 5.806 -17.745 -6.185 1.00 8.96 S ATOM 1277 CE MET A 85 5.903 -19.508 -5.899 1.00 9.60 C ATOM 0 H MET A 85 3.788 -16.055 -9.079 1.00 9.28 H new ATOM 0 HA MET A 85 4.219 -18.549 -10.398 1.00 9.90 H new ATOM 0 HB2 MET A 85 3.335 -18.035 -7.539 1.00 9.48 H new ATOM 0 HB3 MET A 85 4.180 -19.442 -8.152 1.00 9.48 H new ATOM 0 HG2 MET A 85 6.203 -18.205 -8.501 1.00 8.93 H new ATOM 0 HG3 MET A 85 5.390 -16.668 -8.283 1.00 8.93 H new ATOM 0 HE1 MET A 85 5.999 -19.698 -4.830 1.00 9.60 H new ATOM 0 HE2 MET A 85 4.998 -19.988 -6.273 1.00 9.60 H new ATOM 0 HE3 MET A 85 6.770 -19.914 -6.420 1.00 9.60 H new ATOM 1287 N ARG A 86 1.192 -17.905 -9.237 1.00 10.35 N ATOM 1288 CA ARG A 86 -0.202 -18.307 -9.350 1.00 11.19 C ATOM 1289 C ARG A 86 -0.613 -18.325 -10.814 1.00 11.96 C ATOM 1290 O ARG A 86 -1.348 -19.206 -11.256 1.00 12.88 O ATOM 1291 CB ARG A 86 -1.108 -17.356 -8.568 1.00 10.99 C ATOM 1292 CG ARG A 86 -2.486 -17.933 -8.295 1.00 11.99 C ATOM 1293 CD ARG A 86 -3.448 -16.870 -7.790 1.00 12.13 C ATOM 1294 NE ARG A 86 -4.817 -17.374 -7.696 1.00 12.84 N ATOM 1295 CZ ARG A 86 -5.819 -16.694 -7.148 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -5.609 -15.487 -6.638 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -7.036 -17.220 -7.111 1.00 14.09 N ATOM 0 H ARG A 86 1.351 -17.081 -8.657 1.00 10.35 H new ATOM 0 HA ARG A 86 -0.309 -19.307 -8.929 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -0.631 -17.107 -7.620 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -1.215 -16.425 -9.125 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -2.882 -18.379 -9.208 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -2.407 -18.732 -7.558 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -3.122 -16.521 -6.810 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -3.423 -16.010 -8.459 1.00 12.13 H new ATOM 0 HE ARG A 86 -5.015 -18.301 -8.073 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -4.675 -15.077 -6.665 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -6.381 -14.969 -6.219 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -7.203 -18.147 -7.503 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -7.805 -16.698 -6.690 1.00 14.09 H new ATOM 1311 N GLU A 87 -0.126 -17.337 -11.559 1.00 11.71 N ATOM 1312 CA GLU A 87 -0.416 -17.234 -12.983 1.00 12.58 C ATOM 1313 C GLU A 87 -0.011 -18.520 -13.691 1.00 13.20 C ATOM 1314 O GLU A 87 -0.791 -19.092 -14.453 1.00 14.14 O ATOM 1315 CB GLU A 87 0.327 -16.042 -13.593 1.00 12.36 C ATOM 1316 CG GLU A 87 0.052 -15.845 -15.074 1.00 12.89 C ATOM 1317 CD GLU A 87 0.802 -14.661 -15.653 1.00 13.23 C ATOM 1318 OE1 GLU A 87 1.948 -14.849 -16.112 1.00 13.40 O ATOM 1319 OE2 GLU A 87 0.241 -13.543 -15.649 1.00 13.47 O ATOM 0 H GLU A 87 0.473 -16.595 -11.197 1.00 11.71 H new ATOM 0 HA GLU A 87 -1.487 -17.080 -13.112 1.00 12.58 H new ATOM 0 HB2 GLU A 87 0.045 -15.136 -13.056 1.00 12.36 H new ATOM 0 HB3 GLU A 87 1.398 -16.179 -13.446 1.00 12.36 H new ATOM 0 HG2 GLU A 87 0.333 -16.748 -15.615 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -1.018 -15.702 -15.225 1.00 12.89 H new ATOM 1326 N ALA A 88 1.213 -18.972 -13.432 1.00 12.78 N ATOM 1327 CA ALA A 88 1.709 -20.203 -14.032 1.00 13.49 C ATOM 1328 C ALA A 88 0.861 -21.384 -13.587 1.00 14.13 C ATOM 1329 O ALA A 88 0.606 -22.301 -14.364 1.00 15.06 O ATOM 1330 CB ALA A 88 3.166 -20.434 -13.669 1.00 13.06 C ATOM 0 H ALA A 88 1.876 -18.505 -12.813 1.00 12.78 H new ATOM 0 HA ALA A 88 1.639 -20.107 -15.116 1.00 13.49 H new ATOM 0 HB1 ALA A 88 3.513 -21.359 -14.129 1.00 13.06 H new ATOM 0 HB2 ALA A 88 3.768 -19.601 -14.031 1.00 13.06 H new ATOM 0 HB3 ALA A 88 3.264 -20.508 -12.586 1.00 13.06 H new ATOM 1336 N PHE A 89 0.431 -21.358 -12.328 1.00 13.73 N ATOM 1337 CA PHE A 89 -0.404 -22.421 -11.786 1.00 14.46 C ATOM 1338 C PHE A 89 -1.686 -22.546 -12.604 1.00 15.32 C ATOM 1339 O PHE A 89 -2.216 -23.642 -12.790 1.00 16.24 O ATOM 1340 CB PHE A 89 -0.735 -22.142 -10.316 1.00 14.00 C ATOM 1341 CG PHE A 89 -1.898 -22.938 -9.795 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -1.747 -24.272 -9.456 1.00 15.46 C ATOM 1343 CD2 PHE A 89 -3.143 -22.349 -9.650 1.00 15.30 C ATOM 1344 CE1 PHE A 89 -2.817 -25.005 -8.982 1.00 16.38 C ATOM 1345 CE2 PHE A 89 -4.217 -23.077 -9.178 1.00 16.22 C ATOM 1346 CZ PHE A 89 -4.054 -24.406 -8.843 1.00 16.75 C ATOM 0 H PHE A 89 0.648 -20.612 -11.666 1.00 13.73 H new ATOM 0 HA PHE A 89 0.143 -23.362 -11.844 1.00 14.46 H new ATOM 0 HB2 PHE A 89 0.143 -22.359 -9.708 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -0.951 -21.080 -10.197 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -0.782 -24.744 -9.563 1.00 15.46 H new ATOM 0 HD2 PHE A 89 -3.275 -21.309 -9.909 1.00 15.30 H new ATOM 0 HE1 PHE A 89 -2.687 -26.045 -8.720 1.00 16.38 H new ATOM 0 HE2 PHE A 89 -5.184 -22.607 -9.071 1.00 16.22 H new ATOM 0 HZ PHE A 89 -4.893 -24.977 -8.473 1.00 16.75 H new ATOM 1356 N LYS A 90 -2.172 -21.409 -13.092 1.00 15.11 N ATOM 1357 CA LYS A 90 -3.385 -21.377 -13.902 1.00 16.01 C ATOM 1358 C LYS A 90 -3.116 -21.950 -15.289 1.00 16.75 C ATOM 1359 O LYS A 90 -3.916 -22.721 -15.820 1.00 17.70 O ATOM 1360 CB LYS A 90 -3.911 -19.945 -14.023 1.00 15.74 C ATOM 1361 CG LYS A 90 -4.251 -19.304 -12.688 1.00 15.19 C ATOM 1362 CD LYS A 90 -4.780 -17.893 -12.867 1.00 15.14 C ATOM 1363 CE LYS A 90 -4.863 -17.156 -11.540 1.00 14.45 C ATOM 1364 NZ LYS A 90 -5.718 -17.874 -10.556 1.00 14.90 N ATOM 0 H LYS A 90 -1.743 -20.496 -12.940 1.00 15.11 H new ATOM 0 HA LYS A 90 -4.140 -21.989 -13.409 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -3.163 -19.334 -14.529 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -4.801 -19.946 -14.652 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -4.995 -19.910 -12.171 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -3.363 -19.283 -12.056 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -4.131 -17.344 -13.549 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -5.768 -17.929 -13.327 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -3.861 -17.035 -11.129 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -5.263 -16.155 -11.705 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -6.122 -17.191 -9.884 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -6.487 -18.364 -11.056 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -5.143 -18.570 -10.039 1.00 14.90 H new ATOM 1378 N ILE A 91 -1.984 -21.564 -15.871 1.00 16.40 N ATOM 1379 CA ILE A 91 -1.602 -22.044 -17.195 1.00 17.17 C ATOM 1380 C ILE A 91 -1.283 -23.533 -17.144 1.00 17.84 C ATOM 1381 O ILE A 91 -1.410 -24.244 -18.141 1.00 18.78 O ATOM 1382 CB ILE A 91 -0.382 -21.280 -17.746 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -0.621 -19.770 -17.663 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -0.098 -21.699 -19.182 1.00 17.75 C ATOM 1385 CD1 ILE A 91 0.583 -18.941 -18.056 1.00 16.20 C ATOM 0 H ILE A 91 -1.316 -20.921 -15.447 1.00 16.40 H new ATOM 0 HA ILE A 91 -2.447 -21.870 -17.862 1.00 17.17 H new ATOM 0 HB ILE A 91 0.489 -21.526 -17.138 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -1.458 -19.508 -18.309 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -0.912 -19.512 -16.645 1.00 16.16 H new ATOM 0 HG21 ILE A 91 0.766 -21.151 -19.557 1.00 17.75 H new ATOM 0 HG22 ILE A 91 0.109 -22.769 -19.215 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -0.966 -21.478 -19.804 1.00 17.75 H new ATOM 0 HD11 ILE A 91 0.339 -17.882 -17.973 1.00 16.20 H new ATOM 0 HD12 ILE A 91 1.417 -19.174 -17.394 1.00 16.20 H new ATOM 0 HD13 ILE A 91 0.862 -19.169 -19.085 1.00 16.20 H new ATOM 1397 N PHE A 92 -0.860 -23.993 -15.973 1.00 17.43 N ATOM 1398 CA PHE A 92 -0.537 -25.397 -15.775 1.00 18.14 C ATOM 1399 C PHE A 92 -1.817 -26.196 -15.561 1.00 18.80 C ATOM 1400 O PHE A 92 -1.824 -27.424 -15.656 1.00 19.63 O ATOM 1401 CB PHE A 92 0.401 -25.573 -14.570 1.00 17.63 C ATOM 1402 CG PHE A 92 1.857 -25.277 -14.847 1.00 17.41 C ATOM 1403 CD1 PHE A 92 2.210 -24.332 -15.802 1.00 17.64 C ATOM 1404 CD2 PHE A 92 2.868 -25.936 -14.166 1.00 17.12 C ATOM 1405 CE1 PHE A 92 3.538 -24.057 -16.069 1.00 17.60 C ATOM 1406 CE2 PHE A 92 4.198 -25.662 -14.427 1.00 17.07 C ATOM 1407 CZ PHE A 92 4.545 -24.740 -15.334 1.00 17.34 C ATOM 0 H PHE A 92 -0.733 -23.411 -15.145 1.00 17.43 H new ATOM 0 HA PHE A 92 -0.027 -25.766 -16.665 1.00 18.14 H new ATOM 0 HB2 PHE A 92 0.060 -24.922 -13.765 1.00 17.63 H new ATOM 0 HB3 PHE A 92 0.316 -26.598 -14.209 1.00 17.63 H new ATOM 0 HD1 PHE A 92 1.437 -23.806 -16.343 1.00 17.64 H new ATOM 0 HD2 PHE A 92 2.613 -26.675 -13.420 1.00 17.12 H new ATOM 0 HE1 PHE A 92 3.807 -23.334 -16.825 1.00 17.60 H new ATOM 0 HE2 PHE A 92 4.967 -26.199 -13.892 1.00 17.07 H new ATOM 0 HZ PHE A 92 5.587 -24.516 -15.507 1.00 17.34 H new ATOM 1417 N ASP A 93 -2.901 -25.481 -15.275 1.00 18.51 N ATOM 1418 CA ASP A 93 -4.199 -26.105 -15.045 1.00 19.23 C ATOM 1419 C ASP A 93 -5.166 -25.774 -16.178 1.00 19.92 C ATOM 1420 O ASP A 93 -5.776 -24.704 -16.196 1.00 19.65 O ATOM 1421 CB ASP A 93 -4.777 -25.638 -13.708 1.00 18.69 C ATOM 1422 CG ASP A 93 -6.023 -26.405 -13.312 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -6.219 -27.525 -13.830 1.00 19.89 O ATOM 1424 OD2 ASP A 93 -6.806 -25.886 -12.488 1.00 20.02 O ATOM 0 H ASP A 93 -2.905 -24.464 -15.197 1.00 18.51 H new ATOM 0 HA ASP A 93 -4.061 -27.186 -15.015 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -4.022 -25.752 -12.930 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -5.013 -24.576 -13.770 1.00 18.69 H new ATOM 1429 N ARG A 94 -5.301 -26.700 -17.121 1.00 20.90 N ATOM 1430 CA ARG A 94 -6.191 -26.517 -18.265 1.00 21.70 C ATOM 1431 C ARG A 94 -7.655 -26.597 -17.846 1.00 22.13 C ATOM 1432 O ARG A 94 -8.555 -26.446 -18.672 1.00 22.63 O ATOM 1433 CB ARG A 94 -5.891 -27.571 -19.335 1.00 22.67 C ATOM 1434 CG ARG A 94 -4.800 -27.174 -20.327 1.00 22.53 C ATOM 1435 CD ARG A 94 -3.573 -26.586 -19.640 1.00 22.13 C ATOM 1436 NE ARG A 94 -3.765 -25.181 -19.289 1.00 22.41 N ATOM 1437 CZ ARG A 94 -3.464 -24.171 -20.101 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -2.950 -24.410 -21.299 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -3.676 -22.920 -19.713 1.00 23.01 N ATOM 0 H ARG A 94 -4.803 -27.590 -17.116 1.00 20.90 H new ATOM 0 HA ARG A 94 -6.013 -25.524 -18.677 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -5.596 -28.497 -18.842 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -6.807 -27.781 -19.887 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -4.504 -28.049 -20.906 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -5.202 -26.446 -21.032 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -3.353 -27.158 -18.739 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -2.709 -26.681 -20.297 1.00 22.13 H new ATOM 0 HE ARG A 94 -4.151 -24.962 -18.371 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -2.784 -25.370 -21.601 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -2.720 -23.634 -21.919 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -4.070 -22.732 -18.791 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -3.445 -22.147 -20.336 1.00 23.01 H new ATOM 1453 N ASP A 95 -7.890 -26.838 -16.559 1.00 22.06 N ATOM 1454 CA ASP A 95 -9.249 -26.932 -16.035 1.00 22.57 C ATOM 1455 C ASP A 95 -9.483 -25.896 -14.942 1.00 21.80 C ATOM 1456 O ASP A 95 -8.543 -25.261 -14.461 1.00 20.81 O ATOM 1457 CB ASP A 95 -9.510 -28.329 -15.470 1.00 23.28 C ATOM 1458 CG ASP A 95 -8.957 -29.431 -16.350 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -9.269 -29.440 -17.559 1.00 24.00 O ATOM 1460 OD2 ASP A 95 -8.209 -30.283 -15.828 1.00 24.34 O ATOM 0 H ASP A 95 -7.158 -26.972 -15.861 1.00 22.06 H new ATOM 0 HA ASP A 95 -9.936 -26.740 -16.859 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -9.064 -28.404 -14.478 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -10.584 -28.472 -15.348 1.00 23.28 H new ATOM 1465 N GLY A 96 -10.743 -25.732 -14.557 1.00 22.31 N ATOM 1466 CA GLY A 96 -11.089 -24.785 -13.516 1.00 21.77 C ATOM 1467 C GLY A 96 -11.299 -25.472 -12.182 1.00 21.93 C ATOM 1468 O GLY A 96 -11.702 -24.843 -11.204 1.00 21.68 O ATOM 0 H GLY A 96 -11.534 -26.241 -14.950 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -10.297 -24.042 -13.422 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -11.996 -24.250 -13.797 1.00 21.77 H new ATOM 1472 N ASP A 97 -11.024 -26.773 -12.156 1.00 22.44 N ATOM 1473 CA ASP A 97 -11.178 -27.577 -10.949 1.00 22.79 C ATOM 1474 C ASP A 97 -10.394 -26.989 -9.777 1.00 21.82 C ATOM 1475 O ASP A 97 -10.836 -27.053 -8.631 1.00 22.02 O ATOM 1476 CB ASP A 97 -10.724 -29.015 -11.214 1.00 23.40 C ATOM 1477 CG ASP A 97 -9.413 -29.086 -11.982 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -8.626 -28.120 -11.911 1.00 22.35 O ATOM 1479 OD2 ASP A 97 -9.175 -30.109 -12.660 1.00 22.66 O ATOM 0 H ASP A 97 -10.690 -27.296 -12.966 1.00 22.44 H new ATOM 0 HA ASP A 97 -12.234 -27.573 -10.680 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -10.612 -29.537 -10.264 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -11.498 -29.538 -11.776 1.00 23.40 H new ATOM 1484 N GLY A 98 -9.231 -26.417 -10.072 1.00 20.85 N ATOM 1485 CA GLY A 98 -8.406 -25.833 -9.030 1.00 19.90 C ATOM 1486 C GLY A 98 -7.190 -26.681 -8.726 1.00 19.67 C ATOM 1487 O GLY A 98 -6.419 -26.372 -7.817 1.00 18.98 O ATOM 0 H GLY A 98 -8.845 -26.347 -11.014 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -8.086 -24.837 -9.337 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -8.999 -25.712 -8.124 1.00 19.90 H new ATOM 1491 N PHE A 99 -7.021 -27.759 -9.486 1.00 20.36 N ATOM 1492 CA PHE A 99 -5.890 -28.659 -9.300 1.00 20.37 C ATOM 1493 C PHE A 99 -5.308 -29.085 -10.648 1.00 20.60 C ATOM 1494 O PHE A 99 -5.999 -29.065 -11.671 1.00 21.08 O ATOM 1495 CB PHE A 99 -6.301 -29.888 -8.489 1.00 21.34 C ATOM 1496 CG PHE A 99 -7.112 -29.567 -7.266 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -6.488 -29.289 -6.061 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -8.496 -29.544 -7.321 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -7.229 -28.992 -4.934 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -9.243 -29.247 -6.198 1.00 22.21 C ATOM 1501 CZ PHE A 99 -8.614 -28.978 -5.004 1.00 22.08 C ATOM 0 H PHE A 99 -7.655 -28.030 -10.238 1.00 20.36 H new ATOM 0 HA PHE A 99 -5.121 -28.121 -8.746 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -6.876 -30.558 -9.129 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -5.404 -30.428 -8.187 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -5.410 -29.305 -6.002 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -8.997 -29.761 -8.253 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -6.731 -28.771 -4.001 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -10.321 -29.226 -6.257 1.00 22.21 H new ATOM 0 HZ PHE A 99 -9.198 -28.756 -4.123 1.00 22.08 H new ATOM 1511 N ILE A 100 -4.036 -29.478 -10.640 1.00 20.36 N ATOM 1512 CA ILE A 100 -3.349 -29.884 -11.863 1.00 20.66 C ATOM 1513 C ILE A 100 -2.993 -31.368 -11.846 1.00 21.62 C ATOM 1514 O ILE A 100 -2.677 -31.932 -10.800 1.00 21.77 O ATOM 1515 CB ILE A 100 -2.052 -29.076 -12.055 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -2.335 -27.577 -11.942 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -1.414 -29.400 -13.399 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -1.089 -26.745 -11.735 1.00 17.74 C ATOM 0 H ILE A 100 -3.460 -29.524 -9.799 1.00 20.36 H new ATOM 0 HA ILE A 100 -4.037 -29.691 -12.686 1.00 20.66 H new ATOM 0 HB ILE A 100 -1.352 -29.355 -11.267 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -2.841 -27.241 -12.847 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -3.020 -27.406 -11.111 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -0.499 -28.820 -13.517 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -1.178 -30.463 -13.443 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -2.108 -29.149 -14.201 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -1.362 -25.692 -11.663 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -0.593 -27.055 -10.815 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -0.412 -26.888 -12.577 1.00 17.74 H new ATOM 1530 N SER A 101 -3.046 -31.989 -13.020 1.00 22.35 N ATOM 1531 CA SER A 101 -2.721 -33.403 -13.164 1.00 23.35 C ATOM 1532 C SER A 101 -1.483 -33.581 -14.041 1.00 23.43 C ATOM 1533 O SER A 101 -1.172 -32.708 -14.851 1.00 22.96 O ATOM 1534 CB SER A 101 -3.902 -34.164 -13.772 1.00 24.38 C ATOM 1535 OG SER A 101 -5.016 -34.164 -12.896 1.00 24.61 O ATOM 0 H SER A 101 -3.313 -31.531 -13.891 1.00 22.35 H new ATOM 0 HA SER A 101 -2.512 -33.807 -12.174 1.00 23.35 H new ATOM 0 HB2 SER A 101 -4.182 -33.708 -14.721 1.00 24.38 H new ATOM 0 HB3 SER A 101 -3.605 -35.190 -13.987 1.00 24.38 H new ATOM 0 HG SER A 101 -5.757 -34.655 -13.309 1.00 24.61 H new ATOM 1541 N PRO A 102 -0.753 -34.703 -13.892 1.00 24.11 N ATOM 1542 CA PRO A 102 0.453 -34.967 -14.685 1.00 24.36 C ATOM 1543 C PRO A 102 0.252 -34.654 -16.165 1.00 24.64 C ATOM 1544 O PRO A 102 1.159 -34.158 -16.836 1.00 24.44 O ATOM 1545 CB PRO A 102 0.682 -36.463 -14.479 1.00 25.42 C ATOM 1546 CG PRO A 102 0.119 -36.744 -13.129 1.00 25.38 C ATOM 1547 CD PRO A 102 -1.045 -35.804 -12.953 1.00 24.81 C ATOM 0 HA PRO A 102 1.294 -34.345 -14.377 1.00 24.36 H new ATOM 0 HB2 PRO A 102 0.181 -37.051 -15.248 1.00 25.42 H new ATOM 0 HB3 PRO A 102 1.742 -36.713 -14.527 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -0.204 -37.782 -13.051 1.00 25.38 H new ATOM 0 HG3 PRO A 102 0.869 -36.584 -12.354 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -1.991 -36.291 -13.189 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -1.118 -35.445 -11.926 1.00 24.81 H new ATOM 1555 N ALA A 103 -0.946 -34.940 -16.665 1.00 25.18 N ATOM 1556 CA ALA A 103 -1.273 -34.689 -18.064 1.00 25.58 C ATOM 1557 C ALA A 103 -1.232 -33.197 -18.379 1.00 24.70 C ATOM 1558 O ALA A 103 -0.574 -32.768 -19.326 1.00 24.78 O ATOM 1559 CB ALA A 103 -2.647 -35.253 -18.390 1.00 26.36 C ATOM 0 H ALA A 103 -1.707 -35.346 -16.121 1.00 25.18 H new ATOM 0 HA ALA A 103 -0.525 -35.188 -18.681 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -2.881 -35.060 -19.437 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -2.651 -36.328 -18.210 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -3.396 -34.776 -17.757 1.00 26.36 H new ATOM 1565 N GLU A 104 -1.943 -32.417 -17.574 1.00 23.94 N ATOM 1566 CA GLU A 104 -2.002 -30.970 -17.754 1.00 23.10 C ATOM 1567 C GLU A 104 -0.639 -30.327 -17.510 1.00 22.34 C ATOM 1568 O GLU A 104 -0.321 -29.281 -18.078 1.00 22.06 O ATOM 1569 CB GLU A 104 -3.027 -30.371 -16.790 1.00 22.54 C ATOM 1570 CG GLU A 104 -4.448 -30.855 -17.019 1.00 23.20 C ATOM 1571 CD GLU A 104 -5.391 -30.432 -15.909 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -5.776 -29.244 -15.877 1.00 22.57 O ATOM 1573 OE2 GLU A 104 -5.748 -31.288 -15.074 1.00 22.70 O ATOM 0 H GLU A 104 -2.490 -32.764 -16.786 1.00 23.94 H new ATOM 0 HA GLU A 104 -2.298 -30.769 -18.783 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -2.733 -30.611 -15.768 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -3.005 -29.285 -16.881 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -4.813 -30.465 -17.969 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -4.450 -31.942 -17.099 1.00 23.20 H new ATOM 1580 N LEU A 105 0.162 -30.966 -16.665 1.00 22.13 N ATOM 1581 CA LEU A 105 1.482 -30.450 -16.319 1.00 21.50 C ATOM 1582 C LEU A 105 2.462 -30.565 -17.482 1.00 22.09 C ATOM 1583 O LEU A 105 3.104 -29.588 -17.860 1.00 21.66 O ATOM 1584 CB LEU A 105 2.033 -31.194 -15.104 1.00 21.47 C ATOM 1585 CG LEU A 105 3.003 -30.389 -14.242 1.00 20.64 C ATOM 1586 CD1 LEU A 105 2.256 -29.322 -13.460 1.00 20.35 C ATOM 1587 CD2 LEU A 105 3.760 -31.301 -13.298 1.00 20.76 C ATOM 0 H LEU A 105 -0.080 -31.844 -16.206 1.00 22.13 H new ATOM 0 HA LEU A 105 1.368 -29.392 -16.083 1.00 21.50 H new ATOM 0 HB2 LEU A 105 1.197 -31.514 -14.482 1.00 21.47 H new ATOM 0 HB3 LEU A 105 2.538 -32.097 -15.447 1.00 21.47 H new ATOM 0 HG LEU A 105 3.722 -29.900 -14.899 1.00 20.64 H new ATOM 0 HD11 LEU A 105 2.961 -28.757 -12.851 1.00 20.35 H new ATOM 0 HD12 LEU A 105 1.754 -28.647 -14.153 1.00 20.35 H new ATOM 0 HD13 LEU A 105 1.516 -29.795 -12.814 1.00 20.35 H new ATOM 0 HD21 LEU A 105 4.446 -30.709 -12.692 1.00 20.76 H new ATOM 0 HD22 LEU A 105 3.054 -31.817 -12.647 1.00 20.76 H new ATOM 0 HD23 LEU A 105 4.325 -32.034 -13.875 1.00 20.76 H new ATOM 1599 N ARG A 106 2.582 -31.761 -18.045 1.00 23.15 N ATOM 1600 CA ARG A 106 3.494 -31.986 -19.154 1.00 23.87 C ATOM 1601 C ARG A 106 3.084 -31.148 -20.357 1.00 23.93 C ATOM 1602 O ARG A 106 3.927 -30.667 -21.106 1.00 24.00 O ATOM 1603 CB ARG A 106 3.523 -33.471 -19.524 1.00 25.01 C ATOM 1604 CG ARG A 106 2.257 -33.967 -20.203 1.00 25.84 C ATOM 1605 CD ARG A 106 2.464 -34.136 -21.699 1.00 26.70 C ATOM 1606 NE ARG A 106 1.241 -34.557 -22.378 1.00 27.44 N ATOM 1607 CZ ARG A 106 1.227 -35.257 -23.508 1.00 28.28 C ATOM 1608 NH1 ARG A 106 2.367 -35.621 -24.083 1.00 28.51 N ATOM 1609 NH2 ARG A 106 0.073 -35.596 -24.066 1.00 28.96 N ATOM 0 H ARG A 106 2.060 -32.587 -17.751 1.00 23.15 H new ATOM 0 HA ARG A 106 4.495 -31.684 -18.847 1.00 23.87 H new ATOM 0 HB2 ARG A 106 4.371 -33.653 -20.184 1.00 25.01 H new ATOM 0 HB3 ARG A 106 3.691 -34.056 -18.620 1.00 25.01 H new ATOM 0 HG2 ARG A 106 1.956 -34.919 -19.765 1.00 25.84 H new ATOM 0 HG3 ARG A 106 1.445 -33.262 -20.023 1.00 25.84 H new ATOM 0 HD2 ARG A 106 2.809 -33.194 -22.126 1.00 26.70 H new ATOM 0 HD3 ARG A 106 3.248 -34.872 -21.875 1.00 26.70 H new ATOM 0 HE ARG A 106 0.347 -34.299 -21.961 1.00 27.44 H new ATOM 0 HH11 ARG A 106 3.258 -35.364 -23.658 1.00 28.51 H new ATOM 0 HH12 ARG A 106 2.352 -36.158 -24.950 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -0.806 -35.320 -23.628 1.00 28.96 H new ATOM 0 HH22 ARG A 106 0.064 -36.133 -24.933 1.00 28.96 H new ATOM 1623 N PHE A 107 1.781 -30.972 -20.520 1.00 24.01 N ATOM 1624 CA PHE A 107 1.237 -30.196 -21.628 1.00 24.21 C ATOM 1625 C PHE A 107 1.749 -28.754 -21.616 1.00 23.32 C ATOM 1626 O PHE A 107 2.307 -28.281 -22.605 1.00 23.61 O ATOM 1627 CB PHE A 107 -0.294 -30.210 -21.571 1.00 24.45 C ATOM 1628 CG PHE A 107 -0.948 -29.290 -22.565 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -1.231 -29.726 -23.849 1.00 25.30 C ATOM 1630 CD2 PHE A 107 -1.280 -27.992 -22.212 1.00 25.33 C ATOM 1631 CE1 PHE A 107 -1.833 -28.884 -24.764 1.00 25.91 C ATOM 1632 CE2 PHE A 107 -1.883 -27.145 -23.123 1.00 25.94 C ATOM 1633 CZ PHE A 107 -2.160 -27.591 -24.400 1.00 26.22 C ATOM 0 H PHE A 107 1.075 -31.359 -19.894 1.00 24.01 H new ATOM 0 HA PHE A 107 1.573 -30.658 -22.556 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -0.645 -31.227 -21.746 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -0.613 -29.931 -20.567 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -0.978 -30.735 -24.138 1.00 25.30 H new ATOM 0 HD2 PHE A 107 -1.065 -27.638 -21.214 1.00 25.33 H new ATOM 0 HE1 PHE A 107 -2.048 -29.235 -25.762 1.00 25.91 H new ATOM 0 HE2 PHE A 107 -2.137 -26.135 -22.836 1.00 25.94 H new ATOM 0 HZ PHE A 107 -2.631 -26.931 -25.113 1.00 26.22 H new ATOM 1643 N VAL A 108 1.557 -28.062 -20.495 1.00 22.31 N ATOM 1644 CA VAL A 108 1.980 -26.667 -20.377 1.00 21.42 C ATOM 1645 C VAL A 108 3.497 -26.505 -20.476 1.00 21.31 C ATOM 1646 O VAL A 108 3.983 -25.594 -21.145 1.00 21.31 O ATOM 1647 CB VAL A 108 1.514 -26.040 -19.058 1.00 20.36 C ATOM 1648 CG1 VAL A 108 2.036 -26.863 -17.912 1.00 19.77 C ATOM 1649 CG2 VAL A 108 1.979 -24.595 -18.965 1.00 20.26 C ATOM 0 H VAL A 108 1.113 -28.442 -19.659 1.00 22.31 H new ATOM 0 HA VAL A 108 1.512 -26.152 -21.216 1.00 21.42 H new ATOM 0 HB VAL A 108 0.425 -26.033 -19.015 1.00 20.36 H new ATOM 0 HG11 VAL A 108 1.709 -26.423 -16.970 1.00 19.77 H new ATOM 0 HG12 VAL A 108 1.653 -27.880 -17.990 1.00 19.77 H new ATOM 0 HG13 VAL A 108 3.125 -26.882 -17.944 1.00 19.77 H new ATOM 0 HG21 VAL A 108 1.640 -24.164 -18.023 1.00 20.26 H new ATOM 0 HG22 VAL A 108 3.067 -24.559 -19.010 1.00 20.26 H new ATOM 0 HG23 VAL A 108 1.563 -24.025 -19.796 1.00 20.26 H new ATOM 1659 N MET A 109 4.242 -27.386 -19.812 1.00 21.33 N ATOM 1660 CA MET A 109 5.701 -27.305 -19.812 1.00 21.35 C ATOM 1661 C MET A 109 6.266 -27.334 -21.228 1.00 22.24 C ATOM 1662 O MET A 109 7.405 -26.929 -21.456 1.00 22.21 O ATOM 1663 CB MET A 109 6.302 -28.432 -18.972 1.00 21.65 C ATOM 1664 CG MET A 109 5.966 -28.323 -17.492 1.00 20.93 C ATOM 1665 SD MET A 109 7.232 -29.047 -16.430 1.00 20.76 S ATOM 1666 CE MET A 109 8.606 -27.940 -16.738 1.00 21.25 C ATOM 0 H MET A 109 3.862 -28.161 -19.269 1.00 21.33 H new ATOM 0 HA MET A 109 5.977 -26.350 -19.366 1.00 21.35 H new ATOM 0 HB2 MET A 109 5.942 -29.389 -19.350 1.00 21.65 H new ATOM 0 HB3 MET A 109 7.385 -28.428 -19.093 1.00 21.65 H new ATOM 0 HG2 MET A 109 5.836 -27.273 -17.230 1.00 20.93 H new ATOM 0 HG3 MET A 109 5.014 -28.818 -17.303 1.00 20.93 H new ATOM 0 HE1 MET A 109 9.196 -27.830 -15.828 1.00 21.25 H new ATOM 0 HE2 MET A 109 9.233 -28.350 -17.529 1.00 21.25 H new ATOM 0 HE3 MET A 109 8.226 -26.965 -17.045 1.00 21.25 H new ATOM 1676 N ILE A 110 5.469 -27.814 -22.175 1.00 23.11 N ATOM 1677 CA ILE A 110 5.896 -27.871 -23.567 1.00 24.06 C ATOM 1678 C ILE A 110 5.757 -26.495 -24.215 1.00 23.82 C ATOM 1679 O ILE A 110 6.505 -26.144 -25.127 1.00 24.33 O ATOM 1680 CB ILE A 110 5.082 -28.907 -24.367 1.00 25.05 C ATOM 1681 CG1 ILE A 110 5.269 -30.302 -23.764 1.00 25.40 C ATOM 1682 CG2 ILE A 110 5.498 -28.898 -25.831 1.00 26.06 C ATOM 1683 CD1 ILE A 110 4.366 -31.353 -24.373 1.00 26.28 C ATOM 0 H ILE A 110 4.528 -28.168 -22.005 1.00 23.11 H new ATOM 0 HA ILE A 110 6.942 -28.178 -23.581 1.00 24.06 H new ATOM 0 HB ILE A 110 4.027 -28.641 -24.311 1.00 25.05 H new ATOM 0 HG12 ILE A 110 6.307 -30.608 -23.893 1.00 25.40 H new ATOM 0 HG13 ILE A 110 5.083 -30.253 -22.691 1.00 25.40 H new ATOM 0 HG21 ILE A 110 4.913 -29.636 -26.380 1.00 26.06 H new ATOM 0 HG22 ILE A 110 5.323 -27.908 -26.253 1.00 26.06 H new ATOM 0 HG23 ILE A 110 6.557 -29.143 -25.910 1.00 26.06 H new ATOM 0 HD11 ILE A 110 4.555 -32.315 -23.897 1.00 26.28 H new ATOM 0 HD12 ILE A 110 3.324 -31.070 -24.220 1.00 26.28 H new ATOM 0 HD13 ILE A 110 4.568 -31.431 -25.441 1.00 26.28 H new ATOM 1695 N ASN A 111 4.792 -25.723 -23.727 1.00 23.14 N ATOM 1696 CA ASN A 111 4.548 -24.377 -24.233 1.00 22.94 C ATOM 1697 C ASN A 111 5.670 -23.435 -23.807 1.00 22.38 C ATOM 1698 O ASN A 111 6.200 -22.674 -24.617 1.00 22.72 O ATOM 1699 CB ASN A 111 3.208 -23.853 -23.712 1.00 22.34 C ATOM 1700 CG ASN A 111 2.029 -24.621 -24.276 1.00 23.08 C ATOM 1701 OD1 ASN A 111 1.671 -25.717 -23.619 1.00 23.74 O flip ATOM 1702 ND2 ASN A 111 1.448 -24.234 -25.291 1.00 23.04 N flip ATOM 0 H ASN A 111 4.163 -26.009 -22.977 1.00 23.14 H new ATOM 0 HA ASN A 111 4.518 -24.419 -25.322 1.00 22.94 H new ATOM 0 HB2 ASN A 111 3.194 -23.918 -22.624 1.00 22.34 H new ATOM 0 HB3 ASN A 111 3.108 -22.799 -23.970 1.00 22.34 H new ATOM 0 HD21 ASN A 111 1.758 -23.385 -25.764 1.00 23.04 H new ATOM 0 HD22 ASN A 111 0.657 -24.763 -25.659 1.00 23.04 H new ATOM 1709 N LEU A 112 6.024 -23.496 -22.528 1.00 21.58 N ATOM 1710 CA LEU A 112 7.080 -22.655 -21.979 1.00 21.04 C ATOM 1711 C LEU A 112 8.411 -22.946 -22.659 1.00 21.87 C ATOM 1712 O LEU A 112 9.234 -22.049 -22.848 1.00 21.84 O ATOM 1713 CB LEU A 112 7.203 -22.875 -20.470 1.00 20.05 C ATOM 1714 CG LEU A 112 6.058 -22.299 -19.632 1.00 19.21 C ATOM 1715 CD1 LEU A 112 4.742 -22.990 -19.951 1.00 19.02 C ATOM 1716 CD2 LEU A 112 6.368 -22.415 -18.147 1.00 18.68 C ATOM 0 H LEU A 112 5.592 -24.123 -21.849 1.00 21.58 H new ATOM 0 HA LEU A 112 6.817 -21.614 -22.165 1.00 21.04 H new ATOM 0 HB2 LEU A 112 7.268 -23.946 -20.279 1.00 20.05 H new ATOM 0 HB3 LEU A 112 8.139 -22.433 -20.130 1.00 20.05 H new ATOM 0 HG LEU A 112 5.958 -21.244 -19.887 1.00 19.21 H new ATOM 0 HD11 LEU A 112 3.948 -22.560 -19.341 1.00 19.02 H new ATOM 0 HD12 LEU A 112 4.505 -22.851 -21.006 1.00 19.02 H new ATOM 0 HD13 LEU A 112 4.829 -24.055 -19.736 1.00 19.02 H new ATOM 0 HD21 LEU A 112 5.542 -22.000 -17.569 1.00 18.68 H new ATOM 0 HD22 LEU A 112 6.503 -23.464 -17.884 1.00 18.68 H new ATOM 0 HD23 LEU A 112 7.281 -21.864 -17.922 1.00 18.68 H new ATOM 1728 N GLY A 113 8.614 -24.206 -23.020 1.00 22.70 N ATOM 1729 CA GLY A 113 9.843 -24.602 -23.683 1.00 23.62 C ATOM 1730 C GLY A 113 10.632 -25.619 -22.882 1.00 23.76 C ATOM 1731 O GLY A 113 11.758 -25.963 -23.243 1.00 24.44 O ATOM 0 H GLY A 113 7.948 -24.963 -22.866 1.00 22.70 H new ATOM 0 HA2 GLY A 113 9.606 -25.020 -24.662 1.00 23.62 H new ATOM 0 HA3 GLY A 113 10.461 -23.720 -23.854 1.00 23.62 H new ATOM 1735 N GLU A 114 10.039 -26.102 -21.796 1.00 23.22 N ATOM 1736 CA GLU A 114 10.695 -27.083 -20.941 1.00 23.41 C ATOM 1737 C GLU A 114 10.128 -28.481 -21.176 1.00 24.22 C ATOM 1738 O GLU A 114 9.140 -28.873 -20.553 1.00 24.14 O ATOM 1739 CB GLU A 114 10.536 -26.693 -19.472 1.00 22.59 C ATOM 1740 CG GLU A 114 11.113 -25.326 -19.141 1.00 21.89 C ATOM 1741 CD GLU A 114 11.002 -24.985 -17.668 1.00 21.84 C ATOM 1742 OE1 GLU A 114 11.919 -25.350 -16.903 1.00 21.76 O ATOM 1743 OE2 GLU A 114 9.997 -24.352 -17.280 1.00 21.97 O ATOM 0 H GLU A 114 9.106 -25.830 -21.487 1.00 23.22 H new ATOM 0 HA GLU A 114 11.755 -27.098 -21.194 1.00 23.41 H new ATOM 0 HB2 GLU A 114 9.477 -26.704 -19.214 1.00 22.59 H new ATOM 0 HB3 GLU A 114 11.023 -27.444 -18.850 1.00 22.59 H new ATOM 0 HG2 GLU A 114 12.161 -25.297 -19.438 1.00 21.89 H new ATOM 0 HG3 GLU A 114 10.595 -24.566 -19.726 1.00 21.89 H new ATOM 1750 N LYS A 115 10.758 -29.225 -22.080 1.00 25.07 N ATOM 1751 CA LYS A 115 10.319 -30.580 -22.393 1.00 25.94 C ATOM 1752 C LYS A 115 10.532 -31.504 -21.199 1.00 25.87 C ATOM 1753 O LYS A 115 11.660 -31.700 -20.744 1.00 26.08 O ATOM 1754 CB LYS A 115 11.067 -31.115 -23.618 1.00 27.05 C ATOM 1755 CG LYS A 115 10.499 -30.627 -24.946 1.00 27.83 C ATOM 1756 CD LYS A 115 10.609 -29.115 -25.093 1.00 28.38 C ATOM 1757 CE LYS A 115 12.055 -28.667 -25.229 1.00 29.16 C ATOM 1758 NZ LYS A 115 12.689 -29.210 -26.463 1.00 29.75 N ATOM 0 H LYS A 115 11.573 -28.913 -22.608 1.00 25.07 H new ATOM 0 HA LYS A 115 9.253 -30.550 -22.620 1.00 25.94 H new ATOM 0 HB2 LYS A 115 12.114 -30.820 -23.551 1.00 27.05 H new ATOM 0 HB3 LYS A 115 11.041 -32.205 -23.601 1.00 27.05 H new ATOM 0 HG2 LYS A 115 11.029 -31.110 -25.767 1.00 27.83 H new ATOM 0 HG3 LYS A 115 9.453 -30.924 -25.024 1.00 27.83 H new ATOM 0 HD2 LYS A 115 10.044 -28.792 -25.968 1.00 28.38 H new ATOM 0 HD3 LYS A 115 10.158 -28.631 -24.226 1.00 28.38 H new ATOM 0 HE2 LYS A 115 12.098 -27.578 -25.247 1.00 29.16 H new ATOM 0 HE3 LYS A 115 12.620 -28.994 -24.356 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 13.561 -28.682 -26.666 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 12.918 -30.215 -26.323 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 12.031 -29.113 -27.263 1.00 29.75 H new ATOM 1772 N VAL A 116 9.439 -32.066 -20.695 1.00 25.67 N ATOM 1773 CA VAL A 116 9.495 -32.960 -19.545 1.00 25.69 C ATOM 1774 C VAL A 116 8.735 -34.252 -19.799 1.00 26.53 C ATOM 1775 O VAL A 116 7.834 -34.306 -20.638 1.00 26.78 O ATOM 1776 CB VAL A 116 8.912 -32.300 -18.285 1.00 24.51 C ATOM 1777 CG1 VAL A 116 9.910 -31.335 -17.667 1.00 23.77 C ATOM 1778 CG2 VAL A 116 7.606 -31.595 -18.613 1.00 24.02 C ATOM 0 H VAL A 116 8.501 -31.917 -21.066 1.00 25.67 H new ATOM 0 HA VAL A 116 10.551 -33.182 -19.388 1.00 25.69 H new ATOM 0 HB VAL A 116 8.706 -33.080 -17.552 1.00 24.51 H new ATOM 0 HG11 VAL A 116 9.474 -30.881 -16.777 1.00 23.77 H new ATOM 0 HG12 VAL A 116 10.816 -31.875 -17.392 1.00 23.77 H new ATOM 0 HG13 VAL A 116 10.157 -30.556 -18.388 1.00 23.77 H new ATOM 0 HG21 VAL A 116 7.206 -31.133 -17.711 1.00 24.02 H new ATOM 0 HG22 VAL A 116 7.786 -30.827 -19.365 1.00 24.02 H new ATOM 0 HG23 VAL A 116 6.888 -32.319 -18.999 1.00 24.02 H new ATOM 1788 N THR A 117 9.107 -35.290 -19.063 1.00 27.04 N ATOM 1789 CA THR A 117 8.465 -36.586 -19.182 1.00 27.90 C ATOM 1790 C THR A 117 7.460 -36.771 -18.057 1.00 27.38 C ATOM 1791 O THR A 117 7.681 -36.312 -16.936 1.00 26.61 O ATOM 1792 CB THR A 117 9.495 -37.732 -19.138 1.00 28.88 C ATOM 1793 OG1 THR A 117 10.244 -37.671 -17.917 1.00 28.45 O ATOM 1794 CG2 THR A 117 10.444 -37.652 -20.324 1.00 29.54 C ATOM 0 H THR A 117 9.857 -35.256 -18.372 1.00 27.04 H new ATOM 0 HA THR A 117 7.956 -36.618 -20.145 1.00 27.90 H new ATOM 0 HB THR A 117 8.956 -38.678 -19.187 1.00 28.88 H new ATOM 0 HG1 THR A 117 10.895 -38.403 -17.896 1.00 28.45 H new ATOM 0 HG21 THR A 117 11.162 -38.471 -20.272 1.00 29.54 H new ATOM 0 HG22 THR A 117 9.875 -37.727 -21.251 1.00 29.54 H new ATOM 0 HG23 THR A 117 10.976 -36.701 -20.301 1.00 29.54 H new ATOM 1802 N ASP A 118 6.354 -37.437 -18.363 1.00 27.85 N ATOM 1803 CA ASP A 118 5.306 -37.676 -17.379 1.00 27.53 C ATOM 1804 C ASP A 118 5.873 -38.281 -16.099 1.00 27.56 C ATOM 1805 O ASP A 118 5.250 -38.207 -15.044 1.00 27.11 O ATOM 1806 CB ASP A 118 4.237 -38.602 -17.963 1.00 28.39 C ATOM 1807 CG ASP A 118 3.627 -38.050 -19.238 1.00 28.44 C ATOM 1808 OD1 ASP A 118 4.196 -38.295 -20.321 1.00 28.58 O ATOM 1809 OD2 ASP A 118 2.582 -37.372 -19.151 1.00 28.40 O ATOM 0 H ASP A 118 6.159 -37.822 -19.287 1.00 27.85 H new ATOM 0 HA ASP A 118 4.856 -36.715 -17.129 1.00 27.53 H new ATOM 0 HB2 ASP A 118 4.678 -39.578 -18.167 1.00 28.39 H new ATOM 0 HB3 ASP A 118 3.450 -38.756 -17.224 1.00 28.39 H new ATOM 1814 N GLU A 119 7.064 -38.866 -16.196 1.00 28.18 N ATOM 1815 CA GLU A 119 7.704 -39.492 -15.043 1.00 28.39 C ATOM 1816 C GLU A 119 8.375 -38.463 -14.134 1.00 27.39 C ATOM 1817 O GLU A 119 8.089 -38.404 -12.938 1.00 26.99 O ATOM 1818 CB GLU A 119 8.739 -40.517 -15.509 1.00 29.53 C ATOM 1819 CG GLU A 119 8.169 -41.584 -16.429 1.00 30.59 C ATOM 1820 CD GLU A 119 9.211 -42.597 -16.859 1.00 31.58 C ATOM 1821 OE1 GLU A 119 9.881 -42.359 -17.887 1.00 32.06 O ATOM 1822 OE2 GLU A 119 9.360 -43.626 -16.168 1.00 31.92 O ATOM 0 H GLU A 119 7.604 -38.920 -17.059 1.00 28.18 H new ATOM 0 HA GLU A 119 6.924 -39.990 -14.467 1.00 28.39 H new ATOM 0 HB2 GLU A 119 9.546 -39.997 -16.026 1.00 29.53 H new ATOM 0 HB3 GLU A 119 9.179 -40.999 -14.636 1.00 29.53 H new ATOM 0 HG2 GLU A 119 7.354 -42.099 -15.921 1.00 30.59 H new ATOM 0 HG3 GLU A 119 7.744 -41.108 -17.312 1.00 30.59 H new ATOM 1829 N GLU A 120 9.266 -37.654 -14.703 1.00 27.04 N ATOM 1830 CA GLU A 120 9.985 -36.645 -13.929 1.00 26.15 C ATOM 1831 C GLU A 120 9.032 -35.664 -13.248 1.00 24.97 C ATOM 1832 O GLU A 120 9.210 -35.328 -12.074 1.00 24.41 O ATOM 1833 CB GLU A 120 10.985 -35.894 -14.814 1.00 26.05 C ATOM 1834 CG GLU A 120 10.345 -35.073 -15.920 1.00 25.61 C ATOM 1835 CD GLU A 120 11.365 -34.273 -16.706 1.00 25.53 C ATOM 1836 OE1 GLU A 120 11.888 -33.278 -16.159 1.00 24.93 O ATOM 1837 OE2 GLU A 120 11.644 -34.641 -17.866 1.00 26.13 O ATOM 0 H GLU A 120 9.507 -37.677 -15.694 1.00 27.04 H new ATOM 0 HA GLU A 120 10.533 -37.168 -13.145 1.00 26.15 H new ATOM 0 HB2 GLU A 120 11.583 -35.233 -14.187 1.00 26.05 H new ATOM 0 HB3 GLU A 120 11.669 -36.615 -15.262 1.00 26.05 H new ATOM 0 HG2 GLU A 120 9.807 -35.736 -16.597 1.00 25.61 H new ATOM 0 HG3 GLU A 120 9.610 -34.395 -15.487 1.00 25.61 H new ATOM 1844 N ILE A 121 8.014 -35.213 -13.973 1.00 24.65 N ATOM 1845 CA ILE A 121 7.063 -34.267 -13.409 1.00 23.60 C ATOM 1846 C ILE A 121 6.131 -34.943 -12.409 1.00 23.80 C ATOM 1847 O ILE A 121 5.757 -34.339 -11.404 1.00 23.05 O ATOM 1848 CB ILE A 121 6.232 -33.553 -14.494 1.00 23.30 C ATOM 1849 CG1 ILE A 121 5.455 -34.560 -15.341 1.00 24.33 C ATOM 1850 CG2 ILE A 121 7.135 -32.700 -15.369 1.00 22.99 C ATOM 1851 CD1 ILE A 121 4.319 -33.940 -16.125 1.00 24.19 C ATOM 0 H ILE A 121 7.829 -35.483 -14.939 1.00 24.65 H new ATOM 0 HA ILE A 121 7.656 -33.514 -12.889 1.00 23.60 H new ATOM 0 HB ILE A 121 5.509 -32.904 -14.000 1.00 23.30 H new ATOM 0 HG12 ILE A 121 6.142 -35.046 -16.034 1.00 24.33 H new ATOM 0 HG13 ILE A 121 5.055 -35.338 -14.691 1.00 24.33 H new ATOM 0 HG21 ILE A 121 6.537 -32.201 -16.131 1.00 22.99 H new ATOM 0 HG22 ILE A 121 7.637 -31.953 -14.754 1.00 22.99 H new ATOM 0 HG23 ILE A 121 7.880 -33.334 -15.850 1.00 22.99 H new ATOM 0 HD11 ILE A 121 3.812 -34.712 -16.703 1.00 24.19 H new ATOM 0 HD12 ILE A 121 3.611 -33.478 -15.437 1.00 24.19 H new ATOM 0 HD13 ILE A 121 4.715 -33.182 -16.801 1.00 24.19 H new ATOM 1863 N ASP A 122 5.754 -36.194 -12.678 1.00 24.87 N ATOM 1864 CA ASP A 122 4.884 -36.924 -11.763 1.00 25.26 C ATOM 1865 C ASP A 122 5.508 -36.955 -10.375 1.00 25.13 C ATOM 1866 O ASP A 122 4.813 -36.838 -9.366 1.00 24.95 O ATOM 1867 CB ASP A 122 4.640 -38.351 -12.258 1.00 26.55 C ATOM 1868 CG ASP A 122 3.826 -39.172 -11.278 1.00 27.08 C ATOM 1869 OD1 ASP A 122 2.580 -39.112 -11.346 1.00 27.28 O ATOM 1870 OD2 ASP A 122 4.434 -39.873 -10.443 1.00 27.39 O ATOM 0 H ASP A 122 6.034 -36.714 -13.510 1.00 24.87 H new ATOM 0 HA ASP A 122 3.923 -36.411 -11.719 1.00 25.26 H new ATOM 0 HB2 ASP A 122 4.122 -38.316 -13.217 1.00 26.55 H new ATOM 0 HB3 ASP A 122 5.598 -38.841 -12.431 1.00 26.55 H new ATOM 1875 N GLU A 123 6.829 -37.115 -10.335 1.00 25.32 N ATOM 1876 CA GLU A 123 7.555 -37.138 -9.076 1.00 25.30 C ATOM 1877 C GLU A 123 7.487 -35.767 -8.417 1.00 24.05 C ATOM 1878 O GLU A 123 7.274 -35.657 -7.211 1.00 23.89 O ATOM 1879 CB GLU A 123 9.013 -37.544 -9.300 1.00 25.91 C ATOM 1880 CG GLU A 123 9.181 -38.991 -9.733 1.00 27.23 C ATOM 1881 CD GLU A 123 10.636 -39.397 -9.864 1.00 27.86 C ATOM 1882 OE1 GLU A 123 11.214 -39.867 -8.862 1.00 27.98 O ATOM 1883 OE2 GLU A 123 11.198 -39.244 -10.970 1.00 28.28 O ATOM 0 H GLU A 123 7.415 -37.230 -11.162 1.00 25.32 H new ATOM 0 HA GLU A 123 7.092 -37.875 -8.420 1.00 25.30 H new ATOM 0 HB2 GLU A 123 9.450 -36.894 -10.057 1.00 25.91 H new ATOM 0 HB3 GLU A 123 9.572 -37.382 -8.379 1.00 25.91 H new ATOM 0 HG2 GLU A 123 8.690 -39.642 -9.009 1.00 27.23 H new ATOM 0 HG3 GLU A 123 8.679 -39.141 -10.689 1.00 27.23 H new ATOM 1890 N MET A 124 7.668 -34.720 -9.220 1.00 23.22 N ATOM 1891 CA MET A 124 7.606 -33.357 -8.713 1.00 21.99 C ATOM 1892 C MET A 124 6.216 -33.067 -8.154 1.00 21.54 C ATOM 1893 O MET A 124 6.044 -32.197 -7.299 1.00 20.82 O ATOM 1894 CB MET A 124 7.953 -32.366 -9.828 1.00 21.32 C ATOM 1895 CG MET A 124 7.706 -30.916 -9.455 1.00 20.01 C ATOM 1896 SD MET A 124 8.240 -29.764 -10.736 1.00 19.35 S ATOM 1897 CE MET A 124 7.187 -30.254 -12.100 1.00 19.76 C ATOM 0 H MET A 124 7.858 -34.792 -10.220 1.00 23.22 H new ATOM 0 HA MET A 124 8.333 -33.244 -7.909 1.00 21.99 H new ATOM 0 HB2 MET A 124 9.002 -32.489 -10.097 1.00 21.32 H new ATOM 0 HB3 MET A 124 7.366 -32.609 -10.714 1.00 21.32 H new ATOM 0 HG2 MET A 124 6.643 -30.771 -9.263 1.00 20.01 H new ATOM 0 HG3 MET A 124 8.231 -30.690 -8.527 1.00 20.01 H new ATOM 0 HE1 MET A 124 7.783 -30.770 -12.853 1.00 19.76 H new ATOM 0 HE2 MET A 124 6.406 -30.921 -11.735 1.00 19.76 H new ATOM 0 HE3 MET A 124 6.730 -29.369 -12.543 1.00 19.76 H new ATOM 1907 N ILE A 125 5.228 -33.810 -8.645 1.00 22.08 N ATOM 1908 CA ILE A 125 3.850 -33.653 -8.199 1.00 21.89 C ATOM 1909 C ILE A 125 3.622 -34.364 -6.871 1.00 22.49 C ATOM 1910 O ILE A 125 2.919 -33.857 -5.998 1.00 22.09 O ATOM 1911 CB ILE A 125 2.858 -34.205 -9.246 1.00 22.46 C ATOM 1912 CG1 ILE A 125 2.880 -33.336 -10.505 1.00 21.89 C ATOM 1913 CG2 ILE A 125 1.449 -34.283 -8.668 1.00 22.55 C ATOM 1914 CD1 ILE A 125 1.988 -33.848 -11.615 1.00 22.55 C ATOM 0 H ILE A 125 5.359 -34.530 -9.356 1.00 22.08 H new ATOM 0 HA ILE A 125 3.674 -32.585 -8.070 1.00 21.89 H new ATOM 0 HB ILE A 125 3.167 -35.215 -9.516 1.00 22.46 H new ATOM 0 HG12 ILE A 125 2.573 -32.324 -10.242 1.00 21.89 H new ATOM 0 HG13 ILE A 125 3.904 -33.273 -10.874 1.00 21.89 H new ATOM 0 HG21 ILE A 125 0.767 -34.674 -9.423 1.00 22.55 H new ATOM 0 HG22 ILE A 125 1.448 -34.943 -7.801 1.00 22.55 H new ATOM 0 HG23 ILE A 125 1.124 -33.287 -8.367 1.00 22.55 H new ATOM 0 HD11 ILE A 125 2.056 -33.180 -12.474 1.00 22.55 H new ATOM 0 HD12 ILE A 125 2.308 -34.848 -11.907 1.00 22.55 H new ATOM 0 HD13 ILE A 125 0.956 -33.885 -11.265 1.00 22.55 H new ATOM 1926 N ARG A 126 4.224 -35.540 -6.725 1.00 23.53 N ATOM 1927 CA ARG A 126 4.082 -36.326 -5.503 1.00 24.28 C ATOM 1928 C ARG A 126 4.787 -35.644 -4.336 1.00 23.77 C ATOM 1929 O ARG A 126 4.260 -35.590 -3.224 1.00 23.91 O ATOM 1930 CB ARG A 126 4.646 -37.733 -5.710 1.00 25.52 C ATOM 1931 CG ARG A 126 4.617 -38.598 -4.458 1.00 26.44 C ATOM 1932 CD ARG A 126 3.201 -38.787 -3.939 1.00 27.30 C ATOM 1933 NE ARG A 126 3.167 -39.614 -2.736 1.00 28.16 N ATOM 1934 CZ ARG A 126 2.103 -39.726 -1.946 1.00 28.99 C ATOM 1935 NH1 ARG A 126 0.988 -39.064 -2.230 1.00 29.08 N ATOM 1936 NH2 ARG A 126 2.154 -40.498 -0.870 1.00 29.80 N ATOM 0 H ARG A 126 4.815 -35.970 -7.437 1.00 23.53 H new ATOM 0 HA ARG A 126 3.021 -36.402 -5.267 1.00 24.28 H new ATOM 0 HB2 ARG A 126 4.078 -38.230 -6.496 1.00 25.52 H new ATOM 0 HB3 ARG A 126 5.675 -37.654 -6.061 1.00 25.52 H new ATOM 0 HG2 ARG A 126 5.057 -39.571 -4.677 1.00 26.44 H new ATOM 0 HG3 ARG A 126 5.230 -38.138 -3.683 1.00 26.44 H new ATOM 0 HD2 ARG A 126 2.761 -37.814 -3.723 1.00 27.30 H new ATOM 0 HD3 ARG A 126 2.589 -39.248 -4.714 1.00 27.30 H new ATOM 0 HE ARG A 126 4.007 -40.136 -2.487 1.00 28.16 H new ATOM 0 HH11 ARG A 126 0.946 -38.467 -3.056 1.00 29.08 H new ATOM 0 HH12 ARG A 126 0.174 -39.152 -1.622 1.00 29.08 H new ATOM 0 HH21 ARG A 126 3.010 -41.007 -0.647 1.00 29.80 H new ATOM 0 HH22 ARG A 126 1.338 -40.583 -0.264 1.00 29.80 H new ATOM 1950 N GLU A 127 5.981 -35.129 -4.598 1.00 23.26 N ATOM 1951 CA GLU A 127 6.763 -34.447 -3.576 1.00 22.80 C ATOM 1952 C GLU A 127 6.073 -33.163 -3.128 1.00 21.68 C ATOM 1953 O GLU A 127 6.334 -32.654 -2.037 1.00 21.50 O ATOM 1954 CB GLU A 127 8.161 -34.133 -4.111 1.00 22.59 C ATOM 1955 CG GLU A 127 9.136 -35.295 -4.011 1.00 23.70 C ATOM 1956 CD GLU A 127 8.572 -36.595 -4.553 1.00 23.91 C ATOM 1957 OE1 GLU A 127 7.790 -37.251 -3.835 1.00 23.95 O ATOM 1958 OE2 GLU A 127 8.921 -36.962 -5.695 1.00 24.13 O ATOM 0 H GLU A 127 6.430 -35.171 -5.513 1.00 23.26 H new ATOM 0 HA GLU A 127 6.849 -35.107 -2.713 1.00 22.80 H new ATOM 0 HB2 GLU A 127 8.080 -33.829 -5.155 1.00 22.59 H new ATOM 0 HB3 GLU A 127 8.567 -33.283 -3.562 1.00 22.59 H new ATOM 0 HG2 GLU A 127 10.046 -35.046 -4.557 1.00 23.70 H new ATOM 0 HG3 GLU A 127 9.418 -35.436 -2.968 1.00 23.70 H new ATOM 1965 N ALA A 128 5.191 -32.646 -3.977 1.00 21.01 N ATOM 1966 CA ALA A 128 4.461 -31.421 -3.672 1.00 19.97 C ATOM 1967 C ALA A 128 3.060 -31.732 -3.156 1.00 20.40 C ATOM 1968 O ALA A 128 2.441 -30.912 -2.479 1.00 19.88 O ATOM 1969 CB ALA A 128 4.391 -30.535 -4.906 1.00 19.05 C ATOM 0 H ALA A 128 4.964 -33.057 -4.883 1.00 21.01 H new ATOM 0 HA ALA A 128 4.996 -30.889 -2.885 1.00 19.97 H new ATOM 0 HB1 ALA A 128 3.844 -29.623 -4.668 1.00 19.05 H new ATOM 0 HB2 ALA A 128 5.400 -30.279 -5.228 1.00 19.05 H new ATOM 0 HB3 ALA A 128 3.878 -31.067 -5.707 1.00 19.05 H new ATOM 1975 N ASP A 129 2.570 -32.923 -3.478 1.00 21.43 N ATOM 1976 CA ASP A 129 1.243 -33.350 -3.051 1.00 22.05 C ATOM 1977 C ASP A 129 1.267 -33.824 -1.601 1.00 22.75 C ATOM 1978 O ASP A 129 1.779 -34.901 -1.297 1.00 23.69 O ATOM 1979 CB ASP A 129 0.732 -34.463 -3.967 1.00 22.95 C ATOM 1980 CG ASP A 129 -0.566 -35.073 -3.481 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -1.467 -34.306 -3.082 1.00 23.96 O ATOM 1982 OD2 ASP A 129 -0.679 -36.317 -3.492 1.00 24.38 O ATOM 0 H ASP A 129 3.074 -33.613 -4.036 1.00 21.43 H new ATOM 0 HA ASP A 129 0.567 -32.498 -3.118 1.00 22.05 H new ATOM 0 HB2 ASP A 129 0.587 -34.063 -4.971 1.00 22.95 H new ATOM 0 HB3 ASP A 129 1.490 -35.243 -4.041 1.00 22.95 H new ATOM 1987 N PHE A 130 0.710 -33.007 -0.710 1.00 22.35 N ATOM 1988 CA PHE A 130 0.674 -33.330 0.713 1.00 23.04 C ATOM 1989 C PHE A 130 -0.566 -34.147 1.072 1.00 24.02 C ATOM 1990 O PHE A 130 -0.460 -35.216 1.674 1.00 25.05 O ATOM 1991 CB PHE A 130 0.704 -32.048 1.546 1.00 22.22 C ATOM 1992 CG PHE A 130 1.875 -31.155 1.243 1.00 21.35 C ATOM 1993 CD1 PHE A 130 3.157 -31.518 1.626 1.00 21.23 C ATOM 1994 CD2 PHE A 130 1.694 -29.956 0.574 1.00 20.73 C ATOM 1995 CE1 PHE A 130 4.236 -30.702 1.347 1.00 20.51 C ATOM 1996 CE2 PHE A 130 2.770 -29.135 0.291 1.00 20.01 C ATOM 1997 CZ PHE A 130 4.037 -29.499 0.688 1.00 19.90 C ATOM 0 H PHE A 130 0.277 -32.115 -0.950 1.00 22.35 H new ATOM 0 HA PHE A 130 1.554 -33.932 0.937 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -0.218 -31.493 1.375 1.00 22.22 H new ATOM 0 HB3 PHE A 130 0.725 -32.313 2.603 1.00 22.22 H new ATOM 0 HD1 PHE A 130 3.314 -32.450 2.149 1.00 21.23 H new ATOM 0 HD2 PHE A 130 0.701 -29.659 0.270 1.00 20.73 H new ATOM 0 HE1 PHE A 130 5.231 -31.000 1.641 1.00 20.51 H new ATOM 0 HE2 PHE A 130 2.616 -28.208 -0.242 1.00 20.01 H new ATOM 0 HZ PHE A 130 4.875 -28.848 0.486 1.00 19.90 H new ATOM 2007 N ASP A 131 -1.740 -33.635 0.706 1.00 23.76 N ATOM 2008 CA ASP A 131 -3.000 -34.313 1.002 1.00 24.71 C ATOM 2009 C ASP A 131 -2.979 -35.761 0.519 1.00 25.78 C ATOM 2010 O ASP A 131 -3.435 -36.664 1.222 1.00 26.78 O ATOM 2011 CB ASP A 131 -4.174 -33.567 0.361 1.00 24.21 C ATOM 2012 CG ASP A 131 -4.108 -33.570 -1.153 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -4.630 -34.522 -1.769 1.00 23.46 O ATOM 2014 OD2 ASP A 131 -3.535 -32.618 -1.724 1.00 22.53 O ATOM 0 H ASP A 131 -1.844 -32.753 0.204 1.00 23.76 H new ATOM 0 HA ASP A 131 -3.127 -34.316 2.085 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -5.110 -34.025 0.681 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -4.185 -32.537 0.719 1.00 24.21 H new ATOM 2019 N GLY A 132 -2.450 -35.977 -0.682 1.00 25.60 N ATOM 2020 CA GLY A 132 -2.380 -37.320 -1.230 1.00 26.62 C ATOM 2021 C GLY A 132 -3.552 -37.641 -2.138 1.00 26.95 C ATOM 2022 O GLY A 132 -4.482 -38.339 -1.734 1.00 27.86 O ATOM 0 H GLY A 132 -2.069 -35.247 -1.285 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -1.451 -37.433 -1.789 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -2.350 -38.041 -0.413 1.00 26.62 H new ATOM 2026 N ASP A 133 -3.509 -37.132 -3.366 1.00 26.26 N ATOM 2027 CA ASP A 133 -4.578 -37.372 -4.329 1.00 26.58 C ATOM 2028 C ASP A 133 -4.023 -37.492 -5.746 1.00 26.27 C ATOM 2029 O ASP A 133 -4.582 -38.203 -6.582 1.00 26.65 O ATOM 2030 CB ASP A 133 -5.614 -36.248 -4.266 1.00 26.12 C ATOM 2031 CG ASP A 133 -5.052 -34.915 -4.723 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -3.916 -34.581 -4.329 1.00 24.32 O ATOM 2033 OD2 ASP A 133 -5.753 -34.203 -5.472 1.00 24.55 O ATOM 0 H ASP A 133 -2.747 -36.552 -3.717 1.00 26.26 H new ATOM 0 HA ASP A 133 -5.060 -38.315 -4.068 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -6.469 -36.511 -4.889 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -5.981 -36.153 -3.244 1.00 26.12 H new ATOM 2038 N GLY A 134 -2.922 -36.794 -6.009 1.00 25.66 N ATOM 2039 CA GLY A 134 -2.311 -36.837 -7.325 1.00 25.42 C ATOM 2040 C GLY A 134 -2.563 -35.575 -8.128 1.00 24.43 C ATOM 2041 O GLY A 134 -2.428 -35.572 -9.352 1.00 24.42 O ATOM 0 H GLY A 134 -2.442 -36.199 -5.334 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -1.237 -36.986 -7.218 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -2.699 -37.695 -7.873 1.00 25.42 H new ATOM 2045 N MET A 135 -2.931 -34.501 -7.436 1.00 23.66 N ATOM 2046 CA MET A 135 -3.207 -33.224 -8.086 1.00 22.72 C ATOM 2047 C MET A 135 -2.452 -32.096 -7.390 1.00 21.56 C ATOM 2048 O MET A 135 -2.097 -32.213 -6.220 1.00 21.55 O ATOM 2049 CB MET A 135 -4.709 -32.941 -8.088 1.00 23.01 C ATOM 2050 CG MET A 135 -5.546 -34.117 -8.565 1.00 24.25 C ATOM 2051 SD MET A 135 -7.261 -33.667 -8.890 1.00 24.43 S ATOM 2052 CE MET A 135 -7.087 -32.764 -10.427 1.00 23.79 C ATOM 0 H MET A 135 -3.045 -34.490 -6.422 1.00 23.66 H new ATOM 0 HA MET A 135 -2.864 -33.281 -9.119 1.00 22.72 H new ATOM 0 HB2 MET A 135 -5.021 -32.668 -7.080 1.00 23.01 H new ATOM 0 HB3 MET A 135 -4.908 -32.081 -8.727 1.00 23.01 H new ATOM 0 HG2 MET A 135 -5.104 -34.527 -9.473 1.00 24.25 H new ATOM 0 HG3 MET A 135 -5.518 -34.906 -7.813 1.00 24.25 H new ATOM 0 HE1 MET A 135 -7.855 -31.992 -10.485 1.00 23.79 H new ATOM 0 HE2 MET A 135 -6.102 -32.299 -10.466 1.00 23.79 H new ATOM 0 HE3 MET A 135 -7.198 -33.450 -11.267 1.00 23.79 H new ATOM 2062 N ILE A 136 -2.211 -31.001 -8.111 1.00 20.64 N ATOM 2063 CA ILE A 136 -1.477 -29.866 -7.554 1.00 19.48 C ATOM 2064 C ILE A 136 -2.359 -28.631 -7.406 1.00 18.80 C ATOM 2065 O ILE A 136 -3.092 -28.259 -8.316 1.00 18.85 O ATOM 2066 CB ILE A 136 -0.260 -29.497 -8.430 1.00 18.91 C ATOM 2067 CG1 ILE A 136 0.723 -30.671 -8.505 1.00 19.65 C ATOM 2068 CG2 ILE A 136 0.433 -28.246 -7.895 1.00 17.71 C ATOM 2069 CD1 ILE A 136 1.319 -31.061 -7.167 1.00 19.77 C ATOM 0 H ILE A 136 -2.512 -30.876 -9.078 1.00 20.64 H new ATOM 0 HA ILE A 136 -1.138 -30.182 -6.567 1.00 19.48 H new ATOM 0 HB ILE A 136 -0.616 -29.282 -9.438 1.00 18.91 H new ATOM 0 HG12 ILE A 136 0.210 -31.535 -8.929 1.00 19.65 H new ATOM 0 HG13 ILE A 136 1.531 -30.412 -9.190 1.00 19.65 H new ATOM 0 HG21 ILE A 136 1.287 -28.005 -8.527 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -0.268 -27.412 -7.899 1.00 17.71 H new ATOM 0 HG23 ILE A 136 0.776 -28.427 -6.876 1.00 17.71 H new ATOM 0 HD11 ILE A 136 2.003 -31.898 -7.304 1.00 19.77 H new ATOM 0 HD12 ILE A 136 1.862 -30.213 -6.749 1.00 19.77 H new ATOM 0 HD13 ILE A 136 0.521 -31.353 -6.484 1.00 19.77 H new ATOM 2081 N ASN A 137 -2.252 -27.996 -6.247 1.00 18.27 N ATOM 2082 CA ASN A 137 -3.008 -26.790 -5.939 1.00 17.67 C ATOM 2083 C ASN A 137 -2.050 -25.615 -5.787 1.00 16.40 C ATOM 2084 O ASN A 137 -0.863 -25.826 -5.557 1.00 16.12 O ATOM 2085 CB ASN A 137 -3.823 -26.977 -4.656 1.00 18.25 C ATOM 2086 CG ASN A 137 -4.653 -25.756 -4.311 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -5.136 -25.048 -5.194 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -4.821 -25.501 -3.019 1.00 18.49 N ATOM 0 H ASN A 137 -1.638 -28.303 -5.493 1.00 18.27 H new ATOM 0 HA ASN A 137 -3.701 -26.589 -6.756 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -4.481 -27.839 -4.770 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -3.148 -27.198 -3.830 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -5.368 -24.692 -2.726 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -4.403 -26.114 -2.320 1.00 18.49 H new ATOM 2095 N TYR A 138 -2.549 -24.389 -5.945 1.00 15.73 N ATOM 2096 CA TYR A 138 -1.709 -23.194 -5.824 1.00 14.51 C ATOM 2097 C TYR A 138 -0.683 -23.332 -4.695 1.00 14.21 C ATOM 2098 O TYR A 138 0.390 -22.730 -4.745 1.00 13.35 O ATOM 2099 CB TYR A 138 -2.581 -21.959 -5.586 1.00 14.11 C ATOM 2100 CG TYR A 138 -1.792 -20.719 -5.223 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -0.839 -20.199 -6.091 1.00 12.60 C ATOM 2102 CD2 TYR A 138 -1.996 -20.072 -4.011 1.00 12.24 C ATOM 2103 CE1 TYR A 138 -0.113 -19.071 -5.761 1.00 11.56 C ATOM 2104 CE2 TYR A 138 -1.274 -18.943 -3.674 1.00 11.18 C ATOM 2105 CZ TYR A 138 -0.335 -18.446 -4.552 1.00 10.81 C ATOM 2106 OH TYR A 138 0.386 -17.322 -4.219 1.00 9.80 O ATOM 0 H TYR A 138 -3.528 -24.196 -6.157 1.00 15.73 H new ATOM 0 HA TYR A 138 -1.162 -23.080 -6.760 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -3.164 -21.758 -6.485 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -3.291 -22.174 -4.787 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -0.663 -20.685 -7.039 1.00 12.60 H new ATOM 0 HD2 TYR A 138 -2.731 -20.458 -3.320 1.00 12.24 H new ATOM 0 HE1 TYR A 138 0.625 -18.681 -6.446 1.00 11.56 H new ATOM 0 HE2 TYR A 138 -1.445 -18.452 -2.727 1.00 11.18 H new ATOM 0 HH TYR A 138 0.107 -17.005 -3.335 1.00 9.80 H new ATOM 2116 N GLU A 139 -1.007 -24.139 -3.689 1.00 15.05 N ATOM 2117 CA GLU A 139 -0.108 -24.348 -2.560 1.00 15.05 C ATOM 2118 C GLU A 139 0.983 -25.347 -2.929 1.00 15.40 C ATOM 2119 O GLU A 139 2.175 -25.053 -2.806 1.00 14.88 O ATOM 2120 CB GLU A 139 -0.887 -24.845 -1.340 1.00 16.02 C ATOM 2121 CG GLU A 139 -1.975 -23.887 -0.882 1.00 15.89 C ATOM 2122 CD GLU A 139 -1.422 -22.551 -0.424 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -1.227 -21.664 -1.281 1.00 17.06 O ATOM 2124 OE2 GLU A 139 -1.183 -22.393 0.792 1.00 16.91 O ATOM 0 H GLU A 139 -1.884 -24.658 -3.633 1.00 15.05 H new ATOM 0 HA GLU A 139 0.359 -23.395 -2.310 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -1.338 -25.809 -1.575 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -0.191 -25.011 -0.518 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -2.678 -23.724 -1.699 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -2.535 -24.343 -0.066 1.00 15.89 H new ATOM 2131 N GLU A 140 0.572 -26.527 -3.386 1.00 16.39 N ATOM 2132 CA GLU A 140 1.523 -27.558 -3.785 1.00 16.95 C ATOM 2133 C GLU A 140 2.388 -27.044 -4.931 1.00 16.22 C ATOM 2134 O GLU A 140 3.514 -27.500 -5.136 1.00 16.37 O ATOM 2135 CB GLU A 140 0.796 -28.839 -4.212 1.00 18.12 C ATOM 2136 CG GLU A 140 -0.523 -29.077 -3.493 1.00 18.79 C ATOM 2137 CD GLU A 140 -0.922 -30.539 -3.484 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -0.582 -31.250 -4.450 1.00 20.75 O ATOM 2139 OE2 GLU A 140 -1.571 -30.972 -2.509 1.00 20.52 O ATOM 0 H GLU A 140 -0.408 -26.791 -3.489 1.00 16.39 H new ATOM 0 HA GLU A 140 2.156 -27.794 -2.929 1.00 16.95 H new ATOM 0 HB2 GLU A 140 0.609 -28.797 -5.285 1.00 18.12 H new ATOM 0 HB3 GLU A 140 1.452 -29.692 -4.036 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -0.444 -28.719 -2.467 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -1.307 -28.493 -3.975 1.00 18.79 H new ATOM 2146 N PHE A 141 1.845 -26.079 -5.669 1.00 15.58 N ATOM 2147 CA PHE A 141 2.544 -25.480 -6.796 1.00 14.98 C ATOM 2148 C PHE A 141 3.701 -24.621 -6.301 1.00 14.05 C ATOM 2149 O PHE A 141 4.845 -24.813 -6.705 1.00 14.12 O ATOM 2150 CB PHE A 141 1.574 -24.628 -7.625 1.00 14.62 C ATOM 2151 CG PHE A 141 2.218 -23.934 -8.792 1.00 14.16 C ATOM 2152 CD1 PHE A 141 2.862 -22.717 -8.624 1.00 13.21 C ATOM 2153 CD2 PHE A 141 2.184 -24.498 -10.056 1.00 14.81 C ATOM 2154 CE1 PHE A 141 3.460 -22.082 -9.692 1.00 12.98 C ATOM 2155 CE2 PHE A 141 2.780 -23.866 -11.129 1.00 14.61 C ATOM 2156 CZ PHE A 141 3.420 -22.656 -10.947 1.00 13.73 C ATOM 0 H PHE A 141 0.915 -25.695 -5.502 1.00 15.58 H new ATOM 0 HA PHE A 141 2.942 -26.276 -7.425 1.00 14.98 H new ATOM 0 HB2 PHE A 141 0.769 -25.265 -7.992 1.00 14.62 H new ATOM 0 HB3 PHE A 141 1.118 -23.880 -6.977 1.00 14.62 H new ATOM 0 HD1 PHE A 141 2.895 -22.261 -7.645 1.00 13.21 H new ATOM 0 HD2 PHE A 141 1.685 -25.444 -10.204 1.00 14.81 H new ATOM 0 HE1 PHE A 141 3.960 -21.136 -9.547 1.00 12.98 H new ATOM 0 HE2 PHE A 141 2.746 -24.317 -12.110 1.00 14.61 H new ATOM 0 HZ PHE A 141 3.888 -22.160 -11.784 1.00 13.73 H new ATOM 2166 N VAL A 142 3.385 -23.674 -5.422 1.00 13.29 N ATOM 2167 CA VAL A 142 4.385 -22.775 -4.857 1.00 12.40 C ATOM 2168 C VAL A 142 5.573 -23.551 -4.291 1.00 12.96 C ATOM 2169 O VAL A 142 6.723 -23.124 -4.415 1.00 12.60 O ATOM 2170 CB VAL A 142 3.766 -21.896 -3.746 1.00 11.84 C ATOM 2171 CG1 VAL A 142 4.848 -21.240 -2.898 1.00 11.29 C ATOM 2172 CG2 VAL A 142 2.856 -20.840 -4.354 1.00 11.16 C ATOM 0 H VAL A 142 2.437 -23.509 -5.084 1.00 13.29 H new ATOM 0 HA VAL A 142 4.740 -22.135 -5.665 1.00 12.40 H new ATOM 0 HB VAL A 142 3.173 -22.540 -3.096 1.00 11.84 H new ATOM 0 HG11 VAL A 142 4.383 -20.628 -2.125 1.00 11.29 H new ATOM 0 HG12 VAL A 142 5.461 -22.011 -2.431 1.00 11.29 H new ATOM 0 HG13 VAL A 142 5.475 -20.611 -3.530 1.00 11.29 H new ATOM 0 HG21 VAL A 142 2.427 -20.228 -3.560 1.00 11.16 H new ATOM 0 HG22 VAL A 142 3.433 -20.207 -5.028 1.00 11.16 H new ATOM 0 HG23 VAL A 142 2.055 -21.327 -4.910 1.00 11.16 H new ATOM 2182 N TRP A 143 5.289 -24.694 -3.679 1.00 13.99 N ATOM 2183 CA TRP A 143 6.333 -25.523 -3.084 1.00 14.75 C ATOM 2184 C TRP A 143 7.282 -26.096 -4.136 1.00 15.22 C ATOM 2185 O TRP A 143 8.499 -25.938 -4.032 1.00 15.27 O ATOM 2186 CB TRP A 143 5.708 -26.668 -2.283 1.00 15.86 C ATOM 2187 CG TRP A 143 6.719 -27.518 -1.579 1.00 16.76 C ATOM 2188 CD1 TRP A 143 7.203 -27.358 -0.312 1.00 16.94 C ATOM 2189 CD2 TRP A 143 7.375 -28.661 -2.119 1.00 17.71 C ATOM 2190 NE1 TRP A 143 8.125 -28.343 -0.036 1.00 17.96 N ATOM 2191 CE2 TRP A 143 8.247 -29.155 -1.133 1.00 18.43 C ATOM 2192 CE3 TRP A 143 7.300 -29.311 -3.345 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 9.044 -30.277 -1.345 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 8.091 -30.423 -3.560 1.00 19.15 C ATOM 2195 CH2 TRP A 143 8.955 -30.897 -2.563 1.00 19.83 C ATOM 0 H TRP A 143 4.345 -25.069 -3.581 1.00 13.99 H new ATOM 0 HA TRP A 143 6.914 -24.881 -2.422 1.00 14.75 H new ATOM 0 HB2 TRP A 143 5.017 -26.254 -1.549 1.00 15.86 H new ATOM 0 HB3 TRP A 143 5.121 -27.294 -2.955 1.00 15.86 H new ATOM 0 HD1 TRP A 143 6.907 -26.576 0.371 1.00 16.94 H new ATOM 0 HE1 TRP A 143 8.634 -28.451 0.841 1.00 17.96 H new ATOM 0 HE3 TRP A 143 6.635 -28.953 -4.117 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 9.708 -30.645 -0.577 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 8.043 -30.935 -4.510 1.00 19.15 H new ATOM 0 HH2 TRP A 143 9.562 -31.768 -2.759 1.00 19.83 H new ATOM 2206 N MET A 144 6.724 -26.763 -5.145 1.00 15.69 N ATOM 2207 CA MET A 144 7.533 -27.390 -6.192 1.00 16.33 C ATOM 2208 C MET A 144 8.243 -26.369 -7.080 1.00 15.63 C ATOM 2209 O MET A 144 9.397 -26.569 -7.460 1.00 16.10 O ATOM 2210 CB MET A 144 6.663 -28.308 -7.054 1.00 17.12 C ATOM 2211 CG MET A 144 5.718 -27.565 -7.985 1.00 16.59 C ATOM 2212 SD MET A 144 4.681 -28.679 -8.949 1.00 17.69 S ATOM 2213 CE MET A 144 3.661 -27.506 -9.832 1.00 17.05 C ATOM 0 H MET A 144 5.718 -26.884 -5.261 1.00 15.69 H new ATOM 0 HA MET A 144 8.304 -27.973 -5.688 1.00 16.33 H new ATOM 0 HB2 MET A 144 7.310 -28.953 -7.648 1.00 17.12 H new ATOM 0 HB3 MET A 144 6.079 -28.957 -6.401 1.00 17.12 H new ATOM 0 HG2 MET A 144 5.084 -26.900 -7.399 1.00 16.59 H new ATOM 0 HG3 MET A 144 6.298 -26.938 -8.661 1.00 16.59 H new ATOM 0 HE1 MET A 144 3.063 -28.032 -10.577 1.00 17.05 H new ATOM 0 HE2 MET A 144 3.001 -26.997 -9.130 1.00 17.05 H new ATOM 0 HE3 MET A 144 4.296 -26.773 -10.329 1.00 17.05 H new ATOM 2223 N ILE A 145 7.559 -25.281 -7.413 1.00 14.62 N ATOM 2224 CA ILE A 145 8.140 -24.259 -8.276 1.00 14.03 C ATOM 2225 C ILE A 145 9.328 -23.566 -7.614 1.00 13.62 C ATOM 2226 O ILE A 145 10.289 -23.189 -8.284 1.00 13.74 O ATOM 2227 CB ILE A 145 7.098 -23.201 -8.683 1.00 13.14 C ATOM 2228 CG1 ILE A 145 7.721 -22.222 -9.674 1.00 12.79 C ATOM 2229 CG2 ILE A 145 6.578 -22.466 -7.459 1.00 12.26 C ATOM 2230 CD1 ILE A 145 6.710 -21.385 -10.426 1.00 12.37 C ATOM 0 H ILE A 145 6.608 -25.084 -7.101 1.00 14.62 H new ATOM 0 HA ILE A 145 8.489 -24.776 -9.170 1.00 14.03 H new ATOM 0 HB ILE A 145 6.254 -23.699 -9.161 1.00 13.14 H new ATOM 0 HG12 ILE A 145 8.400 -21.559 -9.137 1.00 12.79 H new ATOM 0 HG13 ILE A 145 8.322 -22.780 -10.392 1.00 12.79 H new ATOM 0 HG21 ILE A 145 5.843 -21.722 -7.766 1.00 12.26 H new ATOM 0 HG22 ILE A 145 6.111 -23.178 -6.778 1.00 12.26 H new ATOM 0 HG23 ILE A 145 7.406 -21.970 -6.953 1.00 12.26 H new ATOM 0 HD11 ILE A 145 7.230 -20.715 -11.110 1.00 12.37 H new ATOM 0 HD12 ILE A 145 6.046 -22.038 -10.992 1.00 12.37 H new ATOM 0 HD13 ILE A 145 6.125 -20.798 -9.718 1.00 12.37 H new ATOM 2242 N SER A 146 9.256 -23.402 -6.299 1.00 13.30 N ATOM 2243 CA SER A 146 10.327 -22.753 -5.551 1.00 13.04 C ATOM 2244 C SER A 146 11.603 -23.582 -5.617 1.00 14.17 C ATOM 2245 O SER A 146 12.689 -23.102 -5.292 1.00 14.26 O ATOM 2246 CB SER A 146 9.912 -22.549 -4.094 1.00 12.74 C ATOM 2247 OG SER A 146 10.939 -21.908 -3.357 1.00 12.48 O ATOM 0 H SER A 146 8.468 -23.709 -5.728 1.00 13.30 H new ATOM 0 HA SER A 146 10.518 -21.780 -6.003 1.00 13.04 H new ATOM 0 HB2 SER A 146 9.002 -21.951 -4.052 1.00 12.74 H new ATOM 0 HB3 SER A 146 9.681 -23.513 -3.640 1.00 12.74 H new ATOM 0 HG SER A 146 11.812 -22.171 -3.716 1.00 12.48 H new ATOM 2253 N GLN A 147 11.457 -24.832 -6.039 1.00 15.13 N ATOM 2254 CA GLN A 147 12.588 -25.744 -6.151 1.00 16.31 C ATOM 2255 C GLN A 147 13.333 -25.519 -7.462 1.00 16.62 C ATOM 2256 O GLN A 147 14.527 -25.800 -7.568 1.00 17.39 O ATOM 2257 CB GLN A 147 12.098 -27.190 -6.066 1.00 17.27 C ATOM 2258 CG GLN A 147 11.015 -27.407 -5.021 1.00 17.07 C ATOM 2259 CD GLN A 147 11.531 -27.278 -3.599 1.00 17.24 C ATOM 2260 OE1 GLN A 147 12.476 -26.537 -3.330 1.00 17.61 O ATOM 2261 NE2 GLN A 147 10.907 -28.005 -2.679 1.00 17.09 N ATOM 0 H GLN A 147 10.562 -25.239 -6.310 1.00 15.13 H new ATOM 0 HA GLN A 147 13.276 -25.549 -5.328 1.00 16.31 H new ATOM 0 HB2 GLN A 147 11.716 -27.493 -7.041 1.00 17.27 H new ATOM 0 HB3 GLN A 147 12.944 -27.839 -5.840 1.00 17.27 H new ATOM 0 HG2 GLN A 147 10.215 -26.684 -5.179 1.00 17.07 H new ATOM 0 HG3 GLN A 147 10.580 -28.397 -5.156 1.00 17.07 H new ATOM 0 HE21 GLN A 147 10.128 -28.606 -2.946 1.00 17.09 H new ATOM 0 HE22 GLN A 147 11.207 -27.962 -1.705 1.00 17.09 H new ATOM 2270 N LYS A 148 12.617 -25.008 -8.460 1.00 16.13 N ATOM 2271 CA LYS A 148 13.202 -24.740 -9.768 1.00 16.53 C ATOM 2272 C LYS A 148 14.238 -23.624 -9.685 1.00 16.32 C ATOM 2273 O LYS A 148 13.843 -22.442 -9.778 1.00 16.11 O ATOM 2274 CB LYS A 148 12.111 -24.366 -10.769 1.00 16.16 C ATOM 2275 CG LYS A 148 11.102 -25.475 -11.012 1.00 16.47 C ATOM 2276 CD LYS A 148 9.978 -25.016 -11.926 1.00 16.26 C ATOM 2277 CE LYS A 148 8.999 -26.143 -12.214 1.00 16.41 C ATOM 2278 NZ LYS A 148 9.647 -27.270 -12.939 1.00 16.72 N ATOM 2279 OXT LYS A 148 15.436 -23.941 -9.526 1.00 16.50 O ATOM 0 H LYS A 148 11.628 -24.771 -8.386 1.00 16.13 H new ATOM 0 HA LYS A 148 13.701 -25.648 -10.107 1.00 16.53 H new ATOM 0 HB2 LYS A 148 11.586 -23.482 -10.408 1.00 16.16 H new ATOM 0 HB3 LYS A 148 12.576 -24.096 -11.717 1.00 16.16 H new ATOM 0 HG2 LYS A 148 11.605 -26.335 -11.455 1.00 16.47 H new ATOM 0 HG3 LYS A 148 10.686 -25.805 -10.060 1.00 16.47 H new ATOM 0 HD2 LYS A 148 9.449 -24.182 -11.464 1.00 16.26 H new ATOM 0 HD3 LYS A 148 10.397 -24.648 -12.863 1.00 16.26 H new ATOM 0 HE2 LYS A 148 8.580 -26.508 -11.276 1.00 16.41 H new ATOM 0 HE3 LYS A 148 8.169 -25.760 -12.807 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 8.916 -27.902 -13.323 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 10.225 -26.895 -13.718 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 10.254 -27.802 -12.283 1.00 16.72 H new