USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 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 108 HIS : no HD1:sc= -4.68! C(o=-5.3!,f=-6.1!) USER MOD Set 1.2: A 110 LYS NZ :NH3+ 142:sc= -0.61 (180deg=0) USER MOD Set 2.1: A 37 TYR OH : rot 74:sc= -3.02 USER MOD Set 2.2: A 49 ASN : amide:sc= -2.84! C(o=-5.9!,f=-8.4!) USER MOD Set 3.1: A 31 ASN : amide:sc= -7.1! C(o=-8.3!,f=-9.4!) USER MOD Set 3.2: A 82 SER OG : rot 180:sc= -1.15 USER MOD Single : A 1 PHE N :NH3+ 175:sc= 0.435 (180deg=0.141!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.86) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.47 X(o=-2.5,f=-2.8!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.4!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 33 HIS : no HE2:sc= -16.2! C(o=-16!,f=-24!) USER MOD Single : A 34 LYS NZ :NH3+ -122:sc= -0.015 (180deg=-0.205) USER MOD Single : A 38 ASN : amide:sc= 0.155 X(o=0.16,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -149:sc= -0.2 (180deg=-0.827) USER MOD Single : A 48 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.00597) USER MOD Single : A 52 GLN : amide:sc= -9.03! C(o=-9!,f=-4.3!) USER MOD Single : A 54 SER OG : rot -150:sc= -3.19! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 80:sc= 1.09 USER MOD Single : A 64 GLN : amide:sc= -6.91! C(o=-6.9!,f=-9!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -146:sc= -0.136 (180deg=-0.962) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.408) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.507 K(o=-0.51,f=0) USER MOD Single : A 79 MET CE :methyl -132:sc= 0 (180deg=-0.599) USER MOD Single : A 81 LYS NZ :NH3+ -152:sc=-0.00416 (180deg=-0.0427) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.453! C(o=-0.45!,f=-6.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0.241 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.526 K(o=0.53,f=-1.2) USER MOD Single : A 107 MET CE :methyl -124:sc= -4.4! (180deg=-6.17!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 16.750 -8.299 -0.018 1.00 0.00 N ATOM 2 CA PHE A 1 15.515 -8.431 0.807 1.00 0.00 C ATOM 3 C PHE A 1 14.466 -9.260 0.059 1.00 0.00 C ATOM 4 O PHE A 1 14.792 -10.118 -0.737 1.00 0.00 O ATOM 5 CB PHE A 1 15.020 -7.000 1.011 1.00 0.00 C ATOM 6 CG PHE A 1 14.502 -6.456 -0.298 1.00 0.00 C ATOM 7 CD1 PHE A 1 15.394 -6.157 -1.335 1.00 0.00 C ATOM 8 CD2 PHE A 1 13.128 -6.250 -0.476 1.00 0.00 C ATOM 9 CE1 PHE A 1 14.912 -5.653 -2.549 1.00 0.00 C ATOM 10 CE2 PHE A 1 12.647 -5.746 -1.689 1.00 0.00 C ATOM 11 CZ PHE A 1 13.539 -5.448 -2.726 1.00 0.00 C ATOM 0 H1 PHE A 1 17.422 -7.666 0.461 1.00 0.00 H new ATOM 0 H2 PHE A 1 17.186 -9.235 -0.143 1.00 0.00 H new ATOM 0 H3 PHE A 1 16.505 -7.904 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 1 15.703 -8.936 1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 1 14.231 -6.980 1.763 1.00 0.00 H new ATOM 0 HB3 PHE A 1 15.830 -6.373 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 1 16.454 -6.315 -1.198 1.00 0.00 H new ATOM 0 HD2 PHE A 1 12.440 -6.480 0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 1 15.600 -5.422 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 1 11.588 -5.587 -1.826 1.00 0.00 H new ATOM 0 HZ PHE A 1 13.167 -5.060 -3.663 1.00 0.00 H new ATOM 23 N THR A 2 13.209 -9.009 0.309 1.00 0.00 N ATOM 24 CA THR A 2 12.143 -9.783 -0.391 1.00 0.00 C ATOM 25 C THR A 2 10.919 -8.900 -0.636 1.00 0.00 C ATOM 26 O THR A 2 10.339 -8.910 -1.703 1.00 0.00 O ATOM 27 CB THR A 2 11.798 -10.934 0.558 1.00 0.00 C ATOM 28 OG1 THR A 2 10.851 -11.791 -0.067 1.00 0.00 O ATOM 29 CG2 THR A 2 11.208 -10.375 1.853 1.00 0.00 C ATOM 0 H THR A 2 12.875 -8.304 0.966 1.00 0.00 H new ATOM 0 HA THR A 2 12.470 -10.145 -1.366 1.00 0.00 H new ATOM 0 HB THR A 2 12.702 -11.497 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 2 10.629 -12.530 0.538 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.964 -11.197 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.936 -9.719 2.331 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.304 -9.810 1.627 1.00 0.00 H new ATOM 37 N ILE A 3 10.523 -8.135 0.342 1.00 0.00 N ATOM 38 CA ILE A 3 9.337 -7.252 0.166 1.00 0.00 C ATOM 39 C ILE A 3 9.496 -5.998 1.034 1.00 0.00 C ATOM 40 O ILE A 3 9.540 -4.890 0.539 1.00 0.00 O ATOM 41 CB ILE A 3 8.152 -8.107 0.636 1.00 0.00 C ATOM 42 CG1 ILE A 3 7.617 -8.928 -0.539 1.00 0.00 C ATOM 43 CG2 ILE A 3 7.027 -7.214 1.174 1.00 0.00 C ATOM 44 CD1 ILE A 3 6.917 -8.002 -1.535 1.00 0.00 C ATOM 0 H ILE A 3 10.970 -8.083 1.257 1.00 0.00 H new ATOM 0 HA ILE A 3 9.204 -6.908 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 3 8.494 -8.769 1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.435 -9.455 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.920 -9.685 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.195 -7.836 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.398 -6.629 2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.688 -6.541 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.536 -8.588 -2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.088 -7.495 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.627 -7.262 -1.904 1.00 0.00 H new ATOM 56 N ALA A 4 9.591 -6.168 2.325 1.00 0.00 N ATOM 57 CA ALA A 4 9.751 -4.992 3.227 1.00 0.00 C ATOM 58 C ALA A 4 10.414 -5.419 4.539 1.00 0.00 C ATOM 59 O ALA A 4 9.749 -5.721 5.510 1.00 0.00 O ATOM 60 CB ALA A 4 8.327 -4.496 3.485 1.00 0.00 C ATOM 0 H ALA A 4 9.565 -7.073 2.795 1.00 0.00 H new ATOM 0 HA ALA A 4 10.381 -4.218 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.358 -3.628 4.144 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.862 -4.218 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.745 -5.288 3.956 1.00 0.00 H new ATOM 66 N GLN A 5 11.717 -5.446 4.574 1.00 0.00 N ATOM 67 CA GLN A 5 12.420 -5.854 5.824 1.00 0.00 C ATOM 68 C GLN A 5 13.038 -4.632 6.508 1.00 0.00 C ATOM 69 O GLN A 5 13.976 -4.744 7.273 1.00 0.00 O ATOM 70 CB GLN A 5 13.511 -6.821 5.367 1.00 0.00 C ATOM 71 CG GLN A 5 12.880 -8.157 4.973 1.00 0.00 C ATOM 72 CD GLN A 5 12.903 -9.111 6.169 1.00 0.00 C ATOM 73 OE1 GLN A 5 13.882 -9.182 6.886 1.00 0.00 O ATOM 74 NE2 GLN A 5 11.858 -9.851 6.418 1.00 0.00 N ATOM 0 H GLN A 5 12.326 -5.204 3.792 1.00 0.00 H new ATOM 0 HA GLN A 5 11.744 -6.313 6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 5 14.053 -6.400 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.236 -6.972 6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.854 -8.001 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.424 -8.594 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.036 -9.792 5.817 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.863 -10.489 7.214 1.00 0.00 H new ATOM 83 N GLY A 6 12.519 -3.465 6.241 1.00 0.00 N ATOM 84 CA GLY A 6 13.076 -2.239 6.877 1.00 0.00 C ATOM 85 C GLY A 6 11.949 -1.234 7.119 1.00 0.00 C ATOM 86 O GLY A 6 12.172 -0.044 7.206 1.00 0.00 O ATOM 0 H GLY A 6 11.733 -3.308 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 6 13.560 -2.493 7.820 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.839 -1.798 6.236 1.00 0.00 H new ATOM 90 N LYS A 7 10.738 -1.707 7.231 1.00 0.00 N ATOM 91 CA LYS A 7 9.594 -0.780 7.468 1.00 0.00 C ATOM 92 C LYS A 7 8.970 -1.058 8.837 1.00 0.00 C ATOM 93 O LYS A 7 7.842 -0.690 9.101 1.00 0.00 O ATOM 94 CB LYS A 7 8.596 -1.090 6.354 1.00 0.00 C ATOM 95 CG LYS A 7 9.171 -0.639 5.011 1.00 0.00 C ATOM 96 CD LYS A 7 9.246 0.888 4.973 1.00 0.00 C ATOM 97 CE LYS A 7 10.705 1.325 4.829 1.00 0.00 C ATOM 98 NZ LYS A 7 10.773 2.663 5.480 1.00 0.00 N ATOM 0 H LYS A 7 10.491 -2.695 7.169 1.00 0.00 H new ATOM 0 HA LYS A 7 9.900 0.266 7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.383 -2.159 6.330 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.651 -0.581 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.164 -1.066 4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.546 -1.003 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.657 1.271 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.818 1.306 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.379 0.617 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.999 1.381 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.745 3.029 5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.127 3.318 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.495 2.578 6.479 1.00 0.00 H new ATOM 112 N GLY A 8 9.690 -1.709 9.709 1.00 0.00 N ATOM 113 CA GLY A 8 9.129 -2.011 11.056 1.00 0.00 C ATOM 114 C GLY A 8 7.734 -2.613 10.889 1.00 0.00 C ATOM 115 O GLY A 8 7.579 -3.802 10.695 1.00 0.00 O ATOM 0 H GLY A 8 10.640 -2.044 9.548 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.778 -2.707 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.078 -1.102 11.655 1.00 0.00 H new ATOM 119 N GLN A 9 6.715 -1.800 10.956 1.00 0.00 N ATOM 120 CA GLN A 9 5.332 -2.327 10.789 1.00 0.00 C ATOM 121 C GLN A 9 4.799 -1.958 9.403 1.00 0.00 C ATOM 122 O GLN A 9 4.049 -1.015 9.243 1.00 0.00 O ATOM 123 CB GLN A 9 4.505 -1.653 11.886 1.00 0.00 C ATOM 124 CG GLN A 9 4.438 -0.147 11.630 1.00 0.00 C ATOM 125 CD GLN A 9 4.465 0.598 12.965 1.00 0.00 C ATOM 126 OE1 GLN A 9 5.347 1.397 13.212 1.00 0.00 O ATOM 127 NE2 GLN A 9 3.531 0.366 13.846 1.00 0.00 N ATOM 0 H GLN A 9 6.781 -0.795 11.119 1.00 0.00 H new ATOM 0 HA GLN A 9 5.290 -3.413 10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.499 -2.073 11.907 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.951 -1.846 12.862 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.278 0.165 11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.529 0.100 11.082 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.790 -0.304 13.640 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.541 0.855 14.741 1.00 0.00 H new ATOM 136 N LYS A 10 5.192 -2.690 8.396 1.00 0.00 N ATOM 137 CA LYS A 10 4.723 -2.380 7.015 1.00 0.00 C ATOM 138 C LYS A 10 3.197 -2.479 6.919 1.00 0.00 C ATOM 139 O LYS A 10 2.480 -2.125 7.834 1.00 0.00 O ATOM 140 CB LYS A 10 5.385 -3.435 6.129 1.00 0.00 C ATOM 141 CG LYS A 10 4.796 -4.809 6.447 1.00 0.00 C ATOM 142 CD LYS A 10 5.884 -5.709 7.036 1.00 0.00 C ATOM 143 CE LYS A 10 5.307 -7.101 7.301 1.00 0.00 C ATOM 144 NZ LYS A 10 6.398 -7.846 7.989 1.00 0.00 N ATOM 0 H LYS A 10 5.819 -3.491 8.470 1.00 0.00 H new ATOM 0 HA LYS A 10 4.985 -1.365 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.227 -3.194 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.462 -3.442 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.972 -4.708 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.388 -5.259 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.726 -5.778 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.264 -5.279 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.414 -7.046 7.923 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.019 -7.592 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.077 -8.812 8.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.233 -7.888 7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.647 -7.359 8.874 1.00 0.00 H new ATOM 158 N LEU A 11 2.700 -2.948 5.807 1.00 0.00 N ATOM 159 CA LEU A 11 1.224 -3.063 5.626 1.00 0.00 C ATOM 160 C LEU A 11 0.689 -4.339 6.283 1.00 0.00 C ATOM 161 O LEU A 11 -0.482 -4.443 6.590 1.00 0.00 O ATOM 162 CB LEU A 11 1.023 -3.121 4.112 1.00 0.00 C ATOM 163 CG LEU A 11 0.954 -1.701 3.551 1.00 0.00 C ATOM 164 CD1 LEU A 11 0.829 -1.759 2.027 1.00 0.00 C ATOM 165 CD2 LEU A 11 -0.265 -0.985 4.135 1.00 0.00 C ATOM 0 H LEU A 11 3.257 -3.259 5.011 1.00 0.00 H new ATOM 0 HA LEU A 11 0.691 -2.231 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.843 -3.668 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.106 -3.661 3.877 1.00 0.00 H new ATOM 0 HG LEU A 11 1.860 -1.158 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.780 -0.746 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.696 -2.272 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.078 -2.300 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.317 0.028 3.737 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.170 -1.528 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.177 -0.944 5.221 1.00 0.00 H new ATOM 177 N CYS A 12 1.530 -5.314 6.495 1.00 0.00 N ATOM 178 CA CYS A 12 1.054 -6.579 7.125 1.00 0.00 C ATOM 179 C CYS A 12 1.136 -6.478 8.650 1.00 0.00 C ATOM 180 O CYS A 12 0.293 -6.991 9.360 1.00 0.00 O ATOM 181 CB CYS A 12 1.999 -7.662 6.605 1.00 0.00 C ATOM 182 SG CYS A 12 1.735 -9.191 7.535 1.00 0.00 S ATOM 0 H CYS A 12 2.522 -5.290 6.260 1.00 0.00 H new ATOM 0 HA CYS A 12 0.014 -6.795 6.880 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.822 -7.835 5.543 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.034 -7.336 6.707 1.00 0.00 H new ATOM 0 HG CYS A 12 2.537 -10.113 7.091 1.00 0.00 H new ATOM 188 N GLU A 13 2.138 -5.818 9.163 1.00 0.00 N ATOM 189 CA GLU A 13 2.258 -5.689 10.643 1.00 0.00 C ATOM 190 C GLU A 13 1.004 -5.021 11.211 1.00 0.00 C ATOM 191 O GLU A 13 0.254 -5.623 11.952 1.00 0.00 O ATOM 192 CB GLU A 13 3.484 -4.806 10.868 1.00 0.00 C ATOM 193 CG GLU A 13 4.556 -5.604 11.612 1.00 0.00 C ATOM 194 CD GLU A 13 4.886 -4.909 12.936 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.960 -4.496 13.613 1.00 0.00 O ATOM 196 OE2 GLU A 13 6.060 -4.805 13.249 1.00 0.00 O ATOM 0 H GLU A 13 2.876 -5.364 8.624 1.00 0.00 H new ATOM 0 HA GLU A 13 2.359 -6.655 11.137 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.874 -4.456 9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.208 -3.922 11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.204 -6.618 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.454 -5.686 10.999 1.00 0.00 H new ATOM 203 N ILE A 14 0.768 -3.785 10.866 1.00 0.00 N ATOM 204 CA ILE A 14 -0.444 -3.087 11.384 1.00 0.00 C ATOM 205 C ILE A 14 -1.696 -3.898 11.036 1.00 0.00 C ATOM 206 O ILE A 14 -2.331 -3.684 10.022 1.00 0.00 O ATOM 207 CB ILE A 14 -0.449 -1.726 10.684 1.00 0.00 C ATOM 208 CG1 ILE A 14 -0.421 -1.926 9.164 1.00 0.00 C ATOM 209 CG2 ILE A 14 0.786 -0.933 11.122 1.00 0.00 C ATOM 210 CD1 ILE A 14 -0.031 -0.615 8.478 1.00 0.00 C ATOM 0 H ILE A 14 1.360 -3.229 10.249 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.436 -2.973 12.468 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.352 -1.179 10.954 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.291 -2.709 8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.399 -2.254 8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.789 0.038 10.627 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.762 -0.790 12.202 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.687 -1.482 10.849 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.012 -0.761 7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.759 0.157 8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.957 -0.305 8.820 1.00 0.00 H new ATOM 222 N GLU A 15 -2.039 -4.838 11.871 1.00 0.00 N ATOM 223 CA GLU A 15 -3.234 -5.694 11.612 1.00 0.00 C ATOM 224 C GLU A 15 -4.454 -4.848 11.237 1.00 0.00 C ATOM 225 O GLU A 15 -5.309 -5.282 10.497 1.00 0.00 O ATOM 226 CB GLU A 15 -3.483 -6.428 12.929 1.00 0.00 C ATOM 227 CG GLU A 15 -4.571 -7.483 12.725 1.00 0.00 C ATOM 228 CD GLU A 15 -3.919 -8.830 12.404 1.00 0.00 C ATOM 229 OE1 GLU A 15 -2.837 -9.077 12.910 1.00 0.00 O ATOM 230 OE2 GLU A 15 -4.514 -9.590 11.657 1.00 0.00 O ATOM 0 H GLU A 15 -1.537 -5.054 12.733 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.066 -6.375 10.778 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.563 -6.900 13.274 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.787 -5.721 13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.184 -7.568 13.623 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.234 -7.185 11.913 1.00 0.00 H new ATOM 237 N ARG A 16 -4.553 -3.656 11.750 1.00 0.00 N ATOM 238 CA ARG A 16 -5.734 -2.802 11.426 1.00 0.00 C ATOM 239 C ARG A 16 -6.106 -2.919 9.941 1.00 0.00 C ATOM 240 O ARG A 16 -7.164 -3.412 9.594 1.00 0.00 O ATOM 241 CB ARG A 16 -5.296 -1.377 11.768 1.00 0.00 C ATOM 242 CG ARG A 16 -5.332 -1.188 13.288 1.00 0.00 C ATOM 243 CD ARG A 16 -5.214 0.300 13.627 1.00 0.00 C ATOM 244 NE ARG A 16 -5.559 0.392 15.074 1.00 0.00 N ATOM 245 CZ ARG A 16 -5.863 1.547 15.604 1.00 0.00 C ATOM 246 NH1 ARG A 16 -4.950 2.472 15.718 1.00 0.00 N ATOM 247 NH2 ARG A 16 -7.079 1.778 16.019 1.00 0.00 N ATOM 0 H ARG A 16 -3.870 -3.234 12.379 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.620 -3.103 11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.290 -1.193 11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.955 -0.656 11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.261 -1.590 13.692 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.516 -1.742 13.752 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.206 0.670 13.437 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.893 0.899 13.020 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.558 -0.449 15.652 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.000 2.293 15.393 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.187 3.374 16.132 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.794 1.056 15.930 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.314 2.680 16.432 1.00 0.00 H new ATOM 261 N ILE A 17 -5.254 -2.468 9.060 1.00 0.00 N ATOM 262 CA ILE A 17 -5.577 -2.552 7.604 1.00 0.00 C ATOM 263 C ILE A 17 -5.535 -4.005 7.115 1.00 0.00 C ATOM 264 O ILE A 17 -6.410 -4.449 6.399 1.00 0.00 O ATOM 265 CB ILE A 17 -4.505 -1.712 6.906 1.00 0.00 C ATOM 266 CG1 ILE A 17 -3.187 -2.488 6.864 1.00 0.00 C ATOM 267 CG2 ILE A 17 -4.298 -0.405 7.672 1.00 0.00 C ATOM 268 CD1 ILE A 17 -2.098 -1.601 6.258 1.00 0.00 C ATOM 0 H ILE A 17 -4.352 -2.047 9.283 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.582 -2.188 7.391 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.829 -1.492 5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.902 -2.798 7.869 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.305 -3.395 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.534 0.192 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.234 0.153 7.699 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.978 -0.627 8.690 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.157 -2.150 6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.384 -1.313 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.976 -0.707 6.869 1.00 0.00 H new ATOM 280 N HIS A 18 -4.530 -4.751 7.490 1.00 0.00 N ATOM 281 CA HIS A 18 -4.452 -6.170 7.032 1.00 0.00 C ATOM 282 C HIS A 18 -5.783 -6.880 7.301 1.00 0.00 C ATOM 283 O HIS A 18 -6.338 -7.530 6.439 1.00 0.00 O ATOM 284 CB HIS A 18 -3.330 -6.796 7.860 1.00 0.00 C ATOM 285 CG HIS A 18 -2.755 -7.970 7.116 1.00 0.00 C ATOM 286 ND1 HIS A 18 -1.921 -7.814 6.020 1.00 0.00 N ATOM 287 CD2 HIS A 18 -2.887 -9.325 7.297 1.00 0.00 C ATOM 288 CE1 HIS A 18 -1.586 -9.043 5.586 1.00 0.00 C ATOM 289 NE2 HIS A 18 -2.148 -10.001 6.329 1.00 0.00 N ATOM 0 H HIS A 18 -3.764 -4.443 8.089 1.00 0.00 H new ATOM 0 HA HIS A 18 -4.257 -6.251 5.963 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.552 -6.058 8.055 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -3.714 -7.118 8.828 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.474 -9.795 8.072 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.941 -9.232 4.740 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.056 -11.010 6.212 1.00 0.00 H new ATOM 297 N PHE A 19 -6.298 -6.751 8.490 1.00 0.00 N ATOM 298 CA PHE A 19 -7.595 -7.403 8.820 1.00 0.00 C ATOM 299 C PHE A 19 -8.675 -6.919 7.847 1.00 0.00 C ATOM 300 O PHE A 19 -9.252 -7.694 7.108 1.00 0.00 O ATOM 301 CB PHE A 19 -7.895 -6.961 10.259 1.00 0.00 C ATOM 302 CG PHE A 19 -9.389 -6.943 10.498 1.00 0.00 C ATOM 303 CD1 PHE A 19 -10.054 -8.117 10.868 1.00 0.00 C ATOM 304 CD2 PHE A 19 -10.104 -5.749 10.346 1.00 0.00 C ATOM 305 CE1 PHE A 19 -11.436 -8.098 11.085 1.00 0.00 C ATOM 306 CE2 PHE A 19 -11.486 -5.730 10.562 1.00 0.00 C ATOM 307 CZ PHE A 19 -12.153 -6.903 10.932 1.00 0.00 C ATOM 0 H PHE A 19 -5.875 -6.220 9.251 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.565 -8.489 8.736 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.415 -7.640 10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.479 -5.970 10.437 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.501 -9.037 10.986 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.589 -4.843 10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.950 -9.004 11.370 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.038 -4.810 10.443 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.220 -6.888 11.100 1.00 0.00 H new ATOM 317 N PHE A 20 -8.953 -5.642 7.836 1.00 0.00 N ATOM 318 CA PHE A 20 -9.995 -5.118 6.905 1.00 0.00 C ATOM 319 C PHE A 20 -9.783 -5.692 5.500 1.00 0.00 C ATOM 320 O PHE A 20 -10.698 -5.770 4.705 1.00 0.00 O ATOM 321 CB PHE A 20 -9.798 -3.602 6.901 1.00 0.00 C ATOM 322 CG PHE A 20 -11.125 -2.921 7.136 1.00 0.00 C ATOM 323 CD1 PHE A 20 -11.955 -2.614 6.051 1.00 0.00 C ATOM 324 CD2 PHE A 20 -11.527 -2.598 8.438 1.00 0.00 C ATOM 325 CE1 PHE A 20 -13.186 -1.984 6.268 1.00 0.00 C ATOM 326 CE2 PHE A 20 -12.759 -1.967 8.654 1.00 0.00 C ATOM 327 CZ PHE A 20 -13.588 -1.661 7.569 1.00 0.00 C ATOM 0 H PHE A 20 -8.506 -4.942 8.428 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.003 -5.396 7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.088 -3.315 7.676 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.377 -3.282 5.948 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -11.645 -2.863 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -10.887 -2.835 9.275 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.826 -1.747 5.431 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.069 -1.717 9.658 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.538 -1.175 7.736 1.00 0.00 H new ATOM 337 N LEU A 21 -8.581 -6.096 5.193 1.00 0.00 N ATOM 338 CA LEU A 21 -8.298 -6.666 3.843 1.00 0.00 C ATOM 339 C LEU A 21 -8.800 -8.111 3.755 1.00 0.00 C ATOM 340 O LEU A 21 -9.127 -8.596 2.690 1.00 0.00 O ATOM 341 CB LEU A 21 -6.776 -6.617 3.703 1.00 0.00 C ATOM 342 CG LEU A 21 -6.387 -5.510 2.724 1.00 0.00 C ATOM 343 CD1 LEU A 21 -7.127 -5.712 1.401 1.00 0.00 C ATOM 344 CD2 LEU A 21 -6.765 -4.151 3.316 1.00 0.00 C ATOM 0 H LEU A 21 -7.778 -6.056 5.821 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.800 -6.111 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.317 -6.435 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.402 -7.578 3.349 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.312 -5.545 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.848 -4.922 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.859 -6.680 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.202 -5.678 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.488 -3.361 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.840 -4.118 3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.237 -4.005 4.258 1.00 0.00 H new ATOM 356 N SER A 22 -8.852 -8.804 4.861 1.00 0.00 N ATOM 357 CA SER A 22 -9.326 -10.221 4.837 1.00 0.00 C ATOM 358 C SER A 22 -10.802 -10.285 4.431 1.00 0.00 C ATOM 359 O SER A 22 -11.637 -10.769 5.168 1.00 0.00 O ATOM 360 CB SER A 22 -9.144 -10.725 6.268 1.00 0.00 C ATOM 361 OG SER A 22 -7.777 -10.609 6.638 1.00 0.00 O ATOM 0 H SER A 22 -8.587 -8.451 5.781 1.00 0.00 H new ATOM 0 HA SER A 22 -8.774 -10.825 4.117 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.767 -10.148 6.951 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.466 -11.764 6.343 1.00 0.00 H new ATOM 0 HG SER A 22 -7.658 -10.930 7.556 1.00 0.00 H new ATOM 367 N LYS A 23 -11.126 -9.799 3.266 1.00 0.00 N ATOM 368 CA LYS A 23 -12.547 -9.831 2.814 1.00 0.00 C ATOM 369 C LYS A 23 -12.655 -10.463 1.420 1.00 0.00 C ATOM 370 O LYS A 23 -13.721 -10.857 0.991 1.00 0.00 O ATOM 371 CB LYS A 23 -12.976 -8.364 2.777 1.00 0.00 C ATOM 372 CG LYS A 23 -13.124 -7.845 4.209 1.00 0.00 C ATOM 373 CD LYS A 23 -13.702 -6.429 4.183 1.00 0.00 C ATOM 374 CE LYS A 23 -13.707 -5.854 5.603 1.00 0.00 C ATOM 375 NZ LYS A 23 -15.051 -6.184 6.161 1.00 0.00 N ATOM 0 H LYS A 23 -10.470 -9.381 2.607 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.177 -10.427 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.238 -7.771 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.920 -8.262 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.777 -8.505 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.155 -7.844 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.109 -5.795 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.715 -6.446 3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.913 -6.293 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.541 -4.777 5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.123 -5.819 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.788 -5.747 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.180 -7.216 6.169 1.00 0.00 H new ATOM 389 N LYS A 24 -11.560 -10.563 0.710 1.00 0.00 N ATOM 390 CA LYS A 24 -11.600 -11.171 -0.656 1.00 0.00 C ATOM 391 C LYS A 24 -12.366 -10.262 -1.620 1.00 0.00 C ATOM 392 O LYS A 24 -13.581 -10.230 -1.627 1.00 0.00 O ATOM 393 CB LYS A 24 -12.328 -12.508 -0.491 1.00 0.00 C ATOM 394 CG LYS A 24 -11.852 -13.204 0.786 1.00 0.00 C ATOM 395 CD LYS A 24 -11.606 -14.687 0.497 1.00 0.00 C ATOM 396 CE LYS A 24 -12.557 -15.535 1.342 1.00 0.00 C ATOM 397 NZ LYS A 24 -12.685 -16.821 0.603 1.00 0.00 N ATOM 0 H LYS A 24 -10.639 -10.250 1.017 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.600 -11.305 -1.068 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.405 -12.343 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.139 -13.145 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.937 -12.736 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.599 -13.095 1.573 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.762 -14.893 -0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.572 -14.946 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.160 -15.694 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.525 -15.047 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.324 -17.457 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.072 -16.640 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.749 -17.266 0.516 1.00 0.00 H new ATOM 411 N LYS A 25 -11.664 -9.526 -2.437 1.00 0.00 N ATOM 412 CA LYS A 25 -12.350 -8.623 -3.403 1.00 0.00 C ATOM 413 C LYS A 25 -11.599 -8.608 -4.739 1.00 0.00 C ATOM 414 O LYS A 25 -10.688 -7.830 -4.942 1.00 0.00 O ATOM 415 CB LYS A 25 -12.314 -7.240 -2.751 1.00 0.00 C ATOM 416 CG LYS A 25 -13.245 -7.222 -1.536 1.00 0.00 C ATOM 417 CD LYS A 25 -14.694 -7.072 -2.006 1.00 0.00 C ATOM 418 CE LYS A 25 -15.549 -6.524 -0.861 1.00 0.00 C ATOM 419 NZ LYS A 25 -16.035 -7.730 -0.133 1.00 0.00 N ATOM 0 H LYS A 25 -10.645 -9.511 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.369 -8.945 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.296 -6.997 -2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.622 -6.480 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.131 -8.142 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.979 -6.399 -0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.742 -6.400 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.082 -8.036 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.965 -5.877 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.380 -5.929 -1.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.630 -7.436 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.593 -8.324 -0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.222 -8.273 0.221 1.00 0.00 H new ATOM 433 N THR A 26 -11.973 -9.466 -5.649 1.00 0.00 N ATOM 434 CA THR A 26 -11.281 -9.504 -6.969 1.00 0.00 C ATOM 435 C THR A 26 -11.155 -8.088 -7.537 1.00 0.00 C ATOM 436 O THR A 26 -10.078 -7.639 -7.872 1.00 0.00 O ATOM 437 CB THR A 26 -12.174 -10.362 -7.866 1.00 0.00 C ATOM 438 OG1 THR A 26 -13.537 -10.079 -7.586 1.00 0.00 O ATOM 439 CG2 THR A 26 -11.893 -11.843 -7.603 1.00 0.00 C ATOM 0 H THR A 26 -12.728 -10.142 -5.535 1.00 0.00 H new ATOM 0 HA THR A 26 -10.272 -9.911 -6.894 1.00 0.00 H new ATOM 0 HB THR A 26 -11.964 -10.135 -8.911 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.110 -10.627 -8.162 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.530 -12.453 -8.243 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.847 -12.059 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.101 -12.073 -6.558 1.00 0.00 H new ATOM 447 N ASP A 27 -12.245 -7.377 -7.642 1.00 0.00 N ATOM 448 CA ASP A 27 -12.169 -5.990 -8.179 1.00 0.00 C ATOM 449 C ASP A 27 -11.045 -5.237 -7.468 1.00 0.00 C ATOM 450 O ASP A 27 -10.131 -4.730 -8.088 1.00 0.00 O ATOM 451 CB ASP A 27 -13.528 -5.365 -7.866 1.00 0.00 C ATOM 452 CG ASP A 27 -14.460 -5.547 -9.064 1.00 0.00 C ATOM 453 OD1 ASP A 27 -14.552 -6.659 -9.556 1.00 0.00 O ATOM 454 OD2 ASP A 27 -15.067 -4.569 -9.471 1.00 0.00 O ATOM 0 H ASP A 27 -13.178 -7.695 -7.381 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.957 -5.959 -9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.960 -5.832 -6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.410 -4.305 -7.641 1.00 0.00 H new ATOM 459 N GLU A 28 -11.098 -5.180 -6.166 1.00 0.00 N ATOM 460 CA GLU A 28 -10.025 -4.481 -5.408 1.00 0.00 C ATOM 461 C GLU A 28 -8.690 -5.189 -5.645 1.00 0.00 C ATOM 462 O GLU A 28 -7.749 -4.607 -6.145 1.00 0.00 O ATOM 463 CB GLU A 28 -10.439 -4.595 -3.941 1.00 0.00 C ATOM 464 CG GLU A 28 -11.022 -3.263 -3.467 1.00 0.00 C ATOM 465 CD GLU A 28 -12.405 -3.500 -2.858 1.00 0.00 C ATOM 466 OE1 GLU A 28 -12.470 -4.099 -1.798 1.00 0.00 O ATOM 467 OE2 GLU A 28 -13.377 -3.075 -3.463 1.00 0.00 O ATOM 0 H GLU A 28 -11.838 -5.588 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.902 -3.442 -5.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.176 -5.389 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.578 -4.865 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.362 -2.806 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.095 -2.568 -4.303 1.00 0.00 H new ATOM 474 N LEU A 29 -8.610 -6.446 -5.295 1.00 0.00 N ATOM 475 CA LEU A 29 -7.344 -7.209 -5.504 1.00 0.00 C ATOM 476 C LEU A 29 -6.730 -6.844 -6.857 1.00 0.00 C ATOM 477 O LEU A 29 -5.527 -6.835 -7.024 1.00 0.00 O ATOM 478 CB LEU A 29 -7.765 -8.680 -5.493 1.00 0.00 C ATOM 479 CG LEU A 29 -6.901 -9.458 -4.499 1.00 0.00 C ATOM 480 CD1 LEU A 29 -5.457 -9.507 -5.003 1.00 0.00 C ATOM 481 CD2 LEU A 29 -6.948 -8.763 -3.136 1.00 0.00 C ATOM 0 H LEU A 29 -9.370 -6.979 -4.872 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.597 -6.990 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.817 -8.765 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.660 -9.105 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.281 -10.475 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.843 -10.062 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.427 -10.002 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.071 -8.492 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.333 -9.315 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.567 -7.746 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.977 -8.732 -2.779 1.00 0.00 H new ATOM 493 N ARG A 30 -7.552 -6.544 -7.824 1.00 0.00 N ATOM 494 CA ARG A 30 -7.023 -6.182 -9.169 1.00 0.00 C ATOM 495 C ARG A 30 -6.375 -4.796 -9.132 1.00 0.00 C ATOM 496 O ARG A 30 -5.175 -4.666 -9.022 1.00 0.00 O ATOM 497 CB ARG A 30 -8.248 -6.175 -10.081 1.00 0.00 C ATOM 498 CG ARG A 30 -8.225 -7.413 -10.978 1.00 0.00 C ATOM 499 CD ARG A 30 -9.656 -7.775 -11.380 1.00 0.00 C ATOM 500 NE ARG A 30 -9.514 -8.909 -12.333 1.00 0.00 N ATOM 501 CZ ARG A 30 -10.537 -9.676 -12.589 1.00 0.00 C ATOM 502 NH1 ARG A 30 -11.102 -10.350 -11.626 1.00 0.00 N ATOM 503 NH2 ARG A 30 -10.996 -9.765 -13.808 1.00 0.00 N ATOM 0 H ARG A 30 -8.569 -6.534 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.258 -6.878 -9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.159 -6.163 -9.483 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.255 -5.271 -10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.623 -7.221 -11.866 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.761 -8.248 -10.453 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.249 -8.061 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.161 -6.929 -11.846 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.617 -9.086 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.744 -10.277 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.902 -10.950 -11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.554 -9.235 -14.559 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.796 -10.365 -14.009 1.00 0.00 H new ATOM 517 N ASN A 31 -7.159 -3.758 -9.233 1.00 0.00 N ATOM 518 CA ASN A 31 -6.581 -2.383 -9.214 1.00 0.00 C ATOM 519 C ASN A 31 -5.502 -2.261 -8.131 1.00 0.00 C ATOM 520 O ASN A 31 -4.603 -1.447 -8.228 1.00 0.00 O ATOM 521 CB ASN A 31 -7.762 -1.461 -8.900 1.00 0.00 C ATOM 522 CG ASN A 31 -8.530 -2.001 -7.691 1.00 0.00 C ATOM 523 OD1 ASN A 31 -9.646 -2.462 -7.822 1.00 0.00 O ATOM 524 ND2 ASN A 31 -7.976 -1.961 -6.510 1.00 0.00 N ATOM 0 H ASN A 31 -8.174 -3.802 -9.328 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.102 -2.130 -10.160 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.404 -0.452 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.424 -1.395 -9.764 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.480 -2.317 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.039 -1.574 -6.399 1.00 0.00 H new ATOM 531 N LEU A 32 -5.582 -3.057 -7.099 1.00 0.00 N ATOM 532 CA LEU A 32 -4.565 -2.976 -6.010 1.00 0.00 C ATOM 533 C LEU A 32 -3.189 -3.432 -6.509 1.00 0.00 C ATOM 534 O LEU A 32 -2.277 -2.643 -6.646 1.00 0.00 O ATOM 535 CB LEU A 32 -5.074 -3.918 -4.919 1.00 0.00 C ATOM 536 CG LEU A 32 -5.665 -3.100 -3.770 1.00 0.00 C ATOM 537 CD1 LEU A 32 -6.557 -3.997 -2.908 1.00 0.00 C ATOM 538 CD2 LEU A 32 -4.530 -2.538 -2.910 1.00 0.00 C ATOM 0 H LEU A 32 -6.308 -3.760 -6.962 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.442 -1.955 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.830 -4.589 -5.327 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.258 -4.541 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.258 -2.280 -4.176 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.978 -3.413 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.365 -4.401 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.964 -4.817 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.949 -1.954 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.939 -3.360 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.892 -1.899 -3.521 1.00 0.00 H new ATOM 550 N HIS A 33 -3.031 -4.702 -6.766 1.00 0.00 N ATOM 551 CA HIS A 33 -1.709 -5.208 -7.237 1.00 0.00 C ATOM 552 C HIS A 33 -1.496 -4.886 -8.719 1.00 0.00 C ATOM 553 O HIS A 33 -0.379 -4.741 -9.175 1.00 0.00 O ATOM 554 CB HIS A 33 -1.767 -6.721 -7.023 1.00 0.00 C ATOM 555 CG HIS A 33 -0.441 -7.208 -6.510 1.00 0.00 C ATOM 556 ND1 HIS A 33 0.646 -7.414 -7.346 1.00 0.00 N ATOM 557 CD2 HIS A 33 -0.010 -7.540 -5.249 1.00 0.00 C ATOM 558 CE1 HIS A 33 1.667 -7.852 -6.586 1.00 0.00 C ATOM 559 NE2 HIS A 33 1.321 -7.946 -5.299 1.00 0.00 N ATOM 0 H HIS A 33 -3.759 -5.410 -6.671 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.883 -4.745 -6.698 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.556 -6.968 -6.313 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.012 -7.222 -7.959 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.668 -7.261 -8.354 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.612 -7.493 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.646 -8.097 -6.970 1.00 0.00 H new ATOM 567 N LYS A 34 -2.551 -4.781 -9.478 1.00 0.00 N ATOM 568 CA LYS A 34 -2.397 -4.476 -10.928 1.00 0.00 C ATOM 569 C LYS A 34 -1.777 -3.089 -11.120 1.00 0.00 C ATOM 570 O LYS A 34 -1.052 -2.852 -12.064 1.00 0.00 O ATOM 571 CB LYS A 34 -3.812 -4.518 -11.498 1.00 0.00 C ATOM 572 CG LYS A 34 -3.806 -3.941 -12.913 1.00 0.00 C ATOM 573 CD LYS A 34 -4.573 -2.618 -12.926 1.00 0.00 C ATOM 574 CE LYS A 34 -6.057 -2.893 -13.174 1.00 0.00 C ATOM 575 NZ LYS A 34 -6.167 -3.099 -14.646 1.00 0.00 N ATOM 0 H LYS A 34 -3.513 -4.893 -9.157 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.738 -5.186 -11.428 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.180 -5.544 -11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.489 -3.946 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.781 -3.783 -13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.264 -4.646 -13.607 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.442 -2.100 -11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.178 -1.964 -13.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.393 -3.773 -12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.674 -2.057 -12.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.837 -2.411 -15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.234 -2.967 -15.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.507 -4.063 -14.837 1.00 0.00 H new ATOM 589 N LEU A 35 -2.053 -2.173 -10.233 1.00 0.00 N ATOM 590 CA LEU A 35 -1.467 -0.809 -10.374 1.00 0.00 C ATOM 591 C LEU A 35 -0.382 -0.598 -9.318 1.00 0.00 C ATOM 592 O LEU A 35 0.734 -0.227 -9.624 1.00 0.00 O ATOM 593 CB LEU A 35 -2.630 0.157 -10.145 1.00 0.00 C ATOM 594 CG LEU A 35 -2.113 1.593 -10.235 1.00 0.00 C ATOM 595 CD1 LEU A 35 -2.891 2.353 -11.310 1.00 0.00 C ATOM 596 CD2 LEU A 35 -2.299 2.289 -8.884 1.00 0.00 C ATOM 0 H LEU A 35 -2.655 -2.308 -9.421 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.004 -0.658 -11.349 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.409 -0.009 -10.889 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.079 -0.020 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.055 1.580 -10.495 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.521 3.376 -11.372 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.758 1.860 -12.273 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.950 2.366 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.930 3.313 -8.948 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.357 2.300 -8.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.742 1.750 -8.117 1.00 0.00 H new ATOM 608 N LEU A 36 -0.701 -0.836 -8.077 1.00 0.00 N ATOM 609 CA LEU A 36 0.308 -0.657 -6.996 1.00 0.00 C ATOM 610 C LEU A 36 1.536 -1.530 -7.271 1.00 0.00 C ATOM 611 O LEU A 36 2.650 -1.049 -7.333 1.00 0.00 O ATOM 612 CB LEU A 36 -0.400 -1.105 -5.715 1.00 0.00 C ATOM 613 CG LEU A 36 0.383 -0.614 -4.496 1.00 0.00 C ATOM 614 CD1 LEU A 36 0.099 0.873 -4.270 1.00 0.00 C ATOM 615 CD2 LEU A 36 -0.052 -1.404 -3.259 1.00 0.00 C ATOM 0 H LEU A 36 -1.620 -1.148 -7.763 1.00 0.00 H new ATOM 0 HA LEU A 36 0.662 0.371 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.415 -0.709 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.481 -2.192 -5.694 1.00 0.00 H new ATOM 0 HG LEU A 36 1.449 -0.760 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.657 1.222 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.405 1.440 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.968 1.018 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.505 -1.055 -2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.119 -1.256 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.147 -2.464 -3.416 1.00 0.00 H new ATOM 627 N TYR A 37 1.342 -2.812 -7.432 1.00 0.00 N ATOM 628 CA TYR A 37 2.501 -3.712 -7.696 1.00 0.00 C ATOM 629 C TYR A 37 2.637 -3.982 -9.197 1.00 0.00 C ATOM 630 O TYR A 37 3.551 -4.654 -9.634 1.00 0.00 O ATOM 631 CB TYR A 37 2.177 -5.005 -6.949 1.00 0.00 C ATOM 632 CG TYR A 37 3.177 -5.209 -5.836 1.00 0.00 C ATOM 633 CD1 TYR A 37 4.548 -5.151 -6.109 1.00 0.00 C ATOM 634 CD2 TYR A 37 2.732 -5.459 -4.533 1.00 0.00 C ATOM 635 CE1 TYR A 37 5.475 -5.342 -5.077 1.00 0.00 C ATOM 636 CE2 TYR A 37 3.658 -5.649 -3.501 1.00 0.00 C ATOM 637 CZ TYR A 37 5.031 -5.592 -3.773 1.00 0.00 C ATOM 638 OH TYR A 37 5.944 -5.781 -2.756 1.00 0.00 O ATOM 0 H TYR A 37 0.433 -3.273 -7.392 1.00 0.00 H new ATOM 0 HA TYR A 37 3.443 -3.274 -7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.167 -4.958 -6.541 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.204 -5.851 -7.636 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.891 -4.959 -7.115 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.673 -5.505 -4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.533 -5.296 -5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.314 -5.840 -2.495 1.00 0.00 H new ATOM 0 HH TYR A 37 6.348 -4.921 -2.515 1.00 0.00 H new ATOM 648 N ASN A 38 1.740 -3.465 -9.990 1.00 0.00 N ATOM 649 CA ASN A 38 1.829 -3.696 -11.460 1.00 0.00 C ATOM 650 C ASN A 38 1.872 -5.198 -11.763 1.00 0.00 C ATOM 651 O ASN A 38 2.792 -5.687 -12.388 1.00 0.00 O ATOM 652 CB ASN A 38 3.137 -3.027 -11.885 1.00 0.00 C ATOM 653 CG ASN A 38 3.041 -2.599 -13.350 1.00 0.00 C ATOM 654 OD1 ASN A 38 3.211 -1.439 -13.668 1.00 0.00 O ATOM 655 ND2 ASN A 38 2.776 -3.493 -14.262 1.00 0.00 N ATOM 0 H ASN A 38 0.951 -2.894 -9.686 1.00 0.00 H new ATOM 0 HA ASN A 38 0.969 -3.291 -11.993 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.336 -2.160 -11.255 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.970 -3.717 -11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.712 -3.218 -15.242 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.633 -4.467 -13.995 1.00 0.00 H new ATOM 662 N ARG A 39 0.882 -5.933 -11.331 1.00 0.00 N ATOM 663 CA ARG A 39 0.871 -7.401 -11.603 1.00 0.00 C ATOM 664 C ARG A 39 -0.500 -7.998 -11.277 1.00 0.00 C ATOM 665 O ARG A 39 -0.729 -8.468 -10.180 1.00 0.00 O ATOM 666 CB ARG A 39 1.936 -7.992 -10.679 1.00 0.00 C ATOM 667 CG ARG A 39 2.724 -9.064 -11.434 1.00 0.00 C ATOM 668 CD ARG A 39 4.223 -8.853 -11.209 1.00 0.00 C ATOM 669 NE ARG A 39 4.886 -9.898 -12.038 1.00 0.00 N ATOM 670 CZ ARG A 39 5.368 -9.591 -13.212 1.00 0.00 C ATOM 671 NH1 ARG A 39 4.558 -9.295 -14.192 1.00 0.00 N ATOM 672 NH2 ARG A 39 6.659 -9.583 -13.407 1.00 0.00 N ATOM 0 H ARG A 39 0.083 -5.582 -10.803 1.00 0.00 H new ATOM 0 HA ARG A 39 1.072 -7.618 -12.652 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.608 -7.207 -10.332 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.467 -8.424 -9.795 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.430 -10.056 -11.090 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.495 -9.016 -12.499 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.531 -7.853 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.483 -8.960 -10.156 1.00 0.00 H new ATOM 0 HE ARG A 39 4.963 -10.853 -11.689 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.549 -9.304 -14.040 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.934 -9.055 -15.109 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.292 -9.817 -12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.035 -9.343 -14.324 1.00 0.00 H new ATOM 686 N PRO A 40 -1.366 -7.968 -12.252 1.00 0.00 N ATOM 687 CA PRO A 40 -2.727 -8.525 -12.075 1.00 0.00 C ATOM 688 C PRO A 40 -2.663 -10.054 -12.094 1.00 0.00 C ATOM 689 O PRO A 40 -3.071 -10.693 -13.043 1.00 0.00 O ATOM 690 CB PRO A 40 -3.493 -7.991 -13.280 1.00 0.00 C ATOM 691 CG PRO A 40 -2.450 -7.724 -14.319 1.00 0.00 C ATOM 692 CD PRO A 40 -1.162 -7.420 -13.596 1.00 0.00 C ATOM 0 HA PRO A 40 -3.196 -8.246 -11.131 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.226 -8.716 -13.634 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.040 -7.082 -13.028 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.329 -8.588 -14.972 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.743 -6.885 -14.951 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.309 -7.885 -14.090 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.967 -6.348 -13.564 1.00 0.00 H new ATOM 700 N GLY A 41 -2.140 -10.639 -11.052 1.00 0.00 N ATOM 701 CA GLY A 41 -2.031 -12.124 -11.004 1.00 0.00 C ATOM 702 C GLY A 41 -3.344 -12.726 -10.507 1.00 0.00 C ATOM 703 O GLY A 41 -4.312 -12.817 -11.235 1.00 0.00 O ATOM 0 H GLY A 41 -1.783 -10.152 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.795 -12.512 -11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.214 -12.416 -10.344 1.00 0.00 H new ATOM 707 N THR A 42 -3.385 -13.144 -9.272 1.00 0.00 N ATOM 708 CA THR A 42 -4.637 -13.746 -8.735 1.00 0.00 C ATOM 709 C THR A 42 -5.035 -13.065 -7.423 1.00 0.00 C ATOM 710 O THR A 42 -4.927 -11.863 -7.279 1.00 0.00 O ATOM 711 CB THR A 42 -4.296 -15.218 -8.495 1.00 0.00 C ATOM 712 OG1 THR A 42 -3.301 -15.313 -7.485 1.00 0.00 O ATOM 713 CG2 THR A 42 -3.773 -15.841 -9.790 1.00 0.00 C ATOM 0 H THR A 42 -2.608 -13.095 -8.613 1.00 0.00 H new ATOM 0 HA THR A 42 -5.478 -13.628 -9.419 1.00 0.00 H new ATOM 0 HB THR A 42 -5.191 -15.751 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.083 -16.255 -7.329 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.531 -16.890 -9.617 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.537 -15.768 -10.564 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.878 -15.310 -10.113 1.00 0.00 H new ATOM 721 N VAL A 43 -5.500 -13.824 -6.470 1.00 0.00 N ATOM 722 CA VAL A 43 -5.913 -13.225 -5.170 1.00 0.00 C ATOM 723 C VAL A 43 -5.025 -13.754 -4.038 1.00 0.00 C ATOM 724 O VAL A 43 -4.728 -13.055 -3.090 1.00 0.00 O ATOM 725 CB VAL A 43 -7.359 -13.677 -4.972 1.00 0.00 C ATOM 726 CG1 VAL A 43 -7.950 -12.980 -3.745 1.00 0.00 C ATOM 727 CG2 VAL A 43 -8.181 -13.310 -6.211 1.00 0.00 C ATOM 0 H VAL A 43 -5.612 -14.836 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.819 -12.139 -5.165 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.384 -14.756 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.982 -13.303 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.365 -13.239 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.925 -11.900 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.213 -13.632 -6.071 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.154 -12.230 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.761 -13.806 -7.086 1.00 0.00 H new ATOM 737 N SER A 44 -4.611 -14.989 -4.127 1.00 0.00 N ATOM 738 CA SER A 44 -3.753 -15.571 -3.054 1.00 0.00 C ATOM 739 C SER A 44 -2.374 -14.907 -3.046 1.00 0.00 C ATOM 740 O SER A 44 -1.833 -14.587 -2.005 1.00 0.00 O ATOM 741 CB SER A 44 -3.627 -17.051 -3.410 1.00 0.00 C ATOM 742 OG SER A 44 -4.912 -17.657 -3.362 1.00 0.00 O ATOM 0 H SER A 44 -4.830 -15.621 -4.897 1.00 0.00 H new ATOM 0 HA SER A 44 -4.180 -15.419 -2.063 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.197 -17.162 -4.405 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.952 -17.548 -2.714 1.00 0.00 H new ATOM 0 HG SER A 44 -4.835 -18.607 -3.592 1.00 0.00 H new ATOM 748 N SER A 45 -1.807 -14.683 -4.198 1.00 0.00 N ATOM 749 CA SER A 45 -0.471 -14.030 -4.252 1.00 0.00 C ATOM 750 C SER A 45 -0.656 -12.523 -4.134 1.00 0.00 C ATOM 751 O SER A 45 -0.159 -11.891 -3.223 1.00 0.00 O ATOM 752 CB SER A 45 0.106 -14.400 -5.617 1.00 0.00 C ATOM 753 OG SER A 45 1.397 -13.820 -5.752 1.00 0.00 O ATOM 0 H SER A 45 -2.211 -14.924 -5.103 1.00 0.00 H new ATOM 0 HA SER A 45 0.191 -14.348 -3.447 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.169 -15.484 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.550 -14.044 -6.411 1.00 0.00 H new ATOM 0 HG SER A 45 1.772 -14.056 -6.626 1.00 0.00 H new ATOM 759 N LEU A 46 -1.388 -11.953 -5.047 1.00 0.00 N ATOM 760 CA LEU A 46 -1.643 -10.491 -5.003 1.00 0.00 C ATOM 761 C LEU A 46 -1.901 -10.053 -3.563 1.00 0.00 C ATOM 762 O LEU A 46 -1.288 -9.130 -3.064 1.00 0.00 O ATOM 763 CB LEU A 46 -2.902 -10.305 -5.850 1.00 0.00 C ATOM 764 CG LEU A 46 -2.623 -10.626 -7.326 1.00 0.00 C ATOM 765 CD1 LEU A 46 -3.586 -9.826 -8.203 1.00 0.00 C ATOM 766 CD2 LEU A 46 -1.180 -10.257 -7.698 1.00 0.00 C ATOM 0 H LEU A 46 -1.824 -12.443 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.803 -9.901 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.695 -10.953 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.259 -9.279 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.764 -11.695 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.393 -10.049 -9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.613 -10.097 -7.957 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.440 -8.760 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.003 -10.492 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.023 -9.191 -7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.488 -10.825 -7.077 1.00 0.00 H new ATOM 778 N LYS A 47 -2.801 -10.714 -2.890 1.00 0.00 N ATOM 779 CA LYS A 47 -3.094 -10.338 -1.482 1.00 0.00 C ATOM 780 C LYS A 47 -1.824 -10.460 -0.636 1.00 0.00 C ATOM 781 O LYS A 47 -1.443 -9.542 0.061 1.00 0.00 O ATOM 782 CB LYS A 47 -4.150 -11.339 -1.014 1.00 0.00 C ATOM 783 CG LYS A 47 -4.646 -10.939 0.375 1.00 0.00 C ATOM 784 CD LYS A 47 -5.938 -10.132 0.242 1.00 0.00 C ATOM 785 CE LYS A 47 -7.111 -10.966 0.761 1.00 0.00 C ATOM 786 NZ LYS A 47 -6.989 -10.915 2.245 1.00 0.00 N ATOM 0 H LYS A 47 -3.345 -11.496 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.444 -9.310 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.983 -11.362 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.728 -12.344 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.821 -11.828 0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.887 -10.348 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.860 -9.203 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.104 -9.859 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.065 -10.557 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.059 -11.991 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.356 -11.798 2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.989 -10.801 2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.537 -10.110 2.611 1.00 0.00 H new ATOM 800 N LYS A 48 -1.163 -11.584 -0.699 1.00 0.00 N ATOM 801 CA LYS A 48 0.085 -11.754 0.098 1.00 0.00 C ATOM 802 C LYS A 48 0.949 -10.493 -0.006 1.00 0.00 C ATOM 803 O LYS A 48 1.611 -10.101 0.935 1.00 0.00 O ATOM 804 CB LYS A 48 0.802 -12.948 -0.534 1.00 0.00 C ATOM 805 CG LYS A 48 2.043 -13.293 0.289 1.00 0.00 C ATOM 806 CD LYS A 48 1.683 -14.350 1.335 1.00 0.00 C ATOM 807 CE LYS A 48 2.561 -15.587 1.135 1.00 0.00 C ATOM 808 NZ LYS A 48 1.941 -16.313 -0.007 1.00 0.00 N ATOM 0 H LYS A 48 -1.432 -12.389 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.119 -11.917 1.156 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.132 -13.806 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.087 -12.713 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.833 -13.665 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.429 -12.398 0.778 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.826 -13.948 2.338 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.631 -14.620 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.592 -15.309 0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.583 -16.206 2.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.714 -17.286 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.069 -15.826 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.606 -16.336 -0.806 1.00 0.00 H new ATOM 822 N ASN A 49 0.946 -9.855 -1.146 1.00 0.00 N ATOM 823 CA ASN A 49 1.765 -8.621 -1.314 1.00 0.00 C ATOM 824 C ASN A 49 0.909 -7.378 -1.054 1.00 0.00 C ATOM 825 O ASN A 49 1.409 -6.340 -0.671 1.00 0.00 O ATOM 826 CB ASN A 49 2.238 -8.655 -2.767 1.00 0.00 C ATOM 827 CG ASN A 49 3.531 -9.466 -2.863 1.00 0.00 C ATOM 828 OD1 ASN A 49 4.612 -8.914 -2.835 1.00 0.00 O ATOM 829 ND2 ASN A 49 3.466 -10.765 -2.974 1.00 0.00 N ATOM 0 H ASN A 49 0.411 -10.136 -1.968 1.00 0.00 H new ATOM 0 HA ASN A 49 2.601 -8.581 -0.615 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.470 -9.099 -3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.404 -7.641 -3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.323 -11.315 -3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.558 -11.230 -2.998 1.00 0.00 H new ATOM 836 N VAL A 50 -0.377 -7.474 -1.258 1.00 0.00 N ATOM 837 CA VAL A 50 -1.253 -6.295 -1.018 1.00 0.00 C ATOM 838 C VAL A 50 -0.982 -5.722 0.376 1.00 0.00 C ATOM 839 O VAL A 50 -0.868 -4.526 0.555 1.00 0.00 O ATOM 840 CB VAL A 50 -2.681 -6.833 -1.121 1.00 0.00 C ATOM 841 CG1 VAL A 50 -3.652 -5.833 -0.490 1.00 0.00 C ATOM 842 CG2 VAL A 50 -3.043 -7.028 -2.596 1.00 0.00 C ATOM 0 H VAL A 50 -0.856 -8.315 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.077 -5.490 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.749 -7.786 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.669 -6.217 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.394 -5.688 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.585 -4.880 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.060 -7.411 -2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.975 -6.073 -3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.352 -7.739 -3.049 1.00 0.00 H new ATOM 852 N GLY A 51 -0.869 -6.569 1.364 1.00 0.00 N ATOM 853 CA GLY A 51 -0.597 -6.075 2.743 1.00 0.00 C ATOM 854 C GLY A 51 0.914 -6.078 2.994 1.00 0.00 C ATOM 855 O GLY A 51 1.371 -5.836 4.093 1.00 0.00 O ATOM 0 H GLY A 51 -0.953 -7.582 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.995 -5.068 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.100 -6.708 3.474 1.00 0.00 H new ATOM 859 N GLN A 52 1.694 -6.350 1.981 1.00 0.00 N ATOM 860 CA GLN A 52 3.174 -6.368 2.159 1.00 0.00 C ATOM 861 C GLN A 52 3.863 -5.837 0.898 1.00 0.00 C ATOM 862 O GLN A 52 4.548 -6.560 0.204 1.00 0.00 O ATOM 863 CB GLN A 52 3.528 -7.839 2.381 1.00 0.00 C ATOM 864 CG GLN A 52 3.871 -8.067 3.854 1.00 0.00 C ATOM 865 CD GLN A 52 5.373 -7.867 4.067 1.00 0.00 C ATOM 866 OE1 GLN A 52 6.065 -8.774 4.486 1.00 0.00 O ATOM 867 NE2 GLN A 52 5.910 -6.711 3.790 1.00 0.00 N ATOM 0 H GLN A 52 1.369 -6.561 1.037 1.00 0.00 H new ATOM 0 HA GLN A 52 3.498 -5.740 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.691 -8.473 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.373 -8.119 1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.309 -7.374 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.582 -9.074 4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.329 -5.950 3.438 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.911 -6.568 3.925 1.00 0.00 H new ATOM 876 N PHE A 53 3.686 -4.578 0.595 1.00 0.00 N ATOM 877 CA PHE A 53 4.334 -4.009 -0.621 1.00 0.00 C ATOM 878 C PHE A 53 5.528 -3.141 -0.217 1.00 0.00 C ATOM 879 O PHE A 53 6.328 -2.747 -1.043 1.00 0.00 O ATOM 880 CB PHE A 53 3.246 -3.165 -1.293 1.00 0.00 C ATOM 881 CG PHE A 53 3.879 -2.152 -2.220 1.00 0.00 C ATOM 882 CD1 PHE A 53 4.467 -0.995 -1.694 1.00 0.00 C ATOM 883 CD2 PHE A 53 3.881 -2.369 -3.605 1.00 0.00 C ATOM 884 CE1 PHE A 53 5.056 -0.055 -2.550 1.00 0.00 C ATOM 885 CE2 PHE A 53 4.469 -1.429 -4.460 1.00 0.00 C ATOM 886 CZ PHE A 53 5.056 -0.273 -3.933 1.00 0.00 C ATOM 0 H PHE A 53 3.123 -3.922 1.136 1.00 0.00 H new ATOM 0 HA PHE A 53 4.715 -4.779 -1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.568 -3.809 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.650 -2.655 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.466 -0.827 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.429 -3.261 -4.012 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.510 0.837 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.470 -1.596 -5.527 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.509 0.451 -4.594 1.00 0.00 H new ATOM 896 N SER A 54 5.655 -2.840 1.045 1.00 0.00 N ATOM 897 CA SER A 54 6.799 -1.997 1.492 1.00 0.00 C ATOM 898 C SER A 54 6.698 -0.605 0.866 1.00 0.00 C ATOM 899 O SER A 54 6.769 -0.449 -0.336 1.00 0.00 O ATOM 900 CB SER A 54 8.039 -2.724 0.983 1.00 0.00 C ATOM 901 OG SER A 54 9.102 -2.551 1.911 1.00 0.00 O ATOM 0 H SER A 54 5.019 -3.140 1.784 1.00 0.00 H new ATOM 0 HA SER A 54 6.821 -1.860 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.824 -3.785 0.853 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.327 -2.335 0.006 1.00 0.00 H new ATOM 0 HG SER A 54 9.958 -2.569 1.435 1.00 0.00 H new ATOM 907 N GLY A 55 6.533 0.408 1.670 1.00 0.00 N ATOM 908 CA GLY A 55 6.428 1.783 1.115 1.00 0.00 C ATOM 909 C GLY A 55 5.259 2.517 1.773 1.00 0.00 C ATOM 910 O GLY A 55 5.324 3.704 2.022 1.00 0.00 O ATOM 0 H GLY A 55 6.467 0.342 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.356 2.328 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.281 1.740 0.036 1.00 0.00 H new ATOM 914 N PHE A 56 4.188 1.826 2.055 1.00 0.00 N ATOM 915 CA PHE A 56 3.024 2.504 2.691 1.00 0.00 C ATOM 916 C PHE A 56 3.472 3.250 3.963 1.00 0.00 C ATOM 917 O PHE A 56 3.558 4.461 3.948 1.00 0.00 O ATOM 918 CB PHE A 56 2.020 1.386 2.986 1.00 0.00 C ATOM 919 CG PHE A 56 1.187 1.135 1.754 1.00 0.00 C ATOM 920 CD1 PHE A 56 1.796 0.655 0.588 1.00 0.00 C ATOM 921 CD2 PHE A 56 -0.189 1.387 1.773 1.00 0.00 C ATOM 922 CE1 PHE A 56 1.029 0.425 -0.559 1.00 0.00 C ATOM 923 CE2 PHE A 56 -0.957 1.156 0.625 1.00 0.00 C ATOM 924 CZ PHE A 56 -0.347 0.675 -0.540 1.00 0.00 C ATOM 0 H PHE A 56 4.069 0.829 1.874 1.00 0.00 H new ATOM 0 HA PHE A 56 2.573 3.263 2.051 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.545 0.476 3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.380 1.666 3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.859 0.462 0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.658 1.759 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.499 0.055 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.020 1.349 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.940 0.497 -1.425 1.00 0.00 H new ATOM 934 N PRO A 57 3.760 2.526 5.022 1.00 0.00 N ATOM 935 CA PRO A 57 4.214 3.188 6.272 1.00 0.00 C ATOM 936 C PRO A 57 5.680 3.627 6.137 1.00 0.00 C ATOM 937 O PRO A 57 6.500 3.341 6.987 1.00 0.00 O ATOM 938 CB PRO A 57 4.089 2.092 7.325 1.00 0.00 C ATOM 939 CG PRO A 57 4.209 0.811 6.565 1.00 0.00 C ATOM 940 CD PRO A 57 3.690 1.065 5.174 1.00 0.00 C ATOM 0 HA PRO A 57 3.638 4.081 6.515 1.00 0.00 H new ATOM 0 HB2 PRO A 57 4.871 2.178 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.134 2.153 7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 57 5.247 0.479 6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.636 0.021 7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.297 0.557 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.669 0.701 5.058 1.00 0.00 H new ATOM 948 N PHE A 58 6.024 4.307 5.073 1.00 0.00 N ATOM 949 CA PHE A 58 7.442 4.740 4.894 1.00 0.00 C ATOM 950 C PHE A 58 7.680 6.132 5.496 1.00 0.00 C ATOM 951 O PHE A 58 7.263 6.417 6.601 1.00 0.00 O ATOM 952 CB PHE A 58 7.678 4.734 3.379 1.00 0.00 C ATOM 953 CG PHE A 58 6.902 5.842 2.689 1.00 0.00 C ATOM 954 CD1 PHE A 58 5.904 6.563 3.366 1.00 0.00 C ATOM 955 CD2 PHE A 58 7.189 6.144 1.352 1.00 0.00 C ATOM 956 CE1 PHE A 58 5.201 7.577 2.702 1.00 0.00 C ATOM 957 CE2 PHE A 58 6.485 7.156 0.691 1.00 0.00 C ATOM 958 CZ PHE A 58 5.492 7.873 1.365 1.00 0.00 C ATOM 0 H PHE A 58 5.388 4.580 4.324 1.00 0.00 H new ATOM 0 HA PHE A 58 8.136 4.076 5.410 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.742 4.853 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.380 3.770 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.679 6.336 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.957 5.593 0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 58 4.434 8.131 3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.709 7.384 -0.341 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.950 8.655 0.854 1.00 0.00 H new ATOM 968 N GLU A 59 8.358 6.997 4.788 1.00 0.00 N ATOM 969 CA GLU A 59 8.627 8.357 5.339 1.00 0.00 C ATOM 970 C GLU A 59 7.898 9.429 4.526 1.00 0.00 C ATOM 971 O GLU A 59 7.062 9.134 3.696 1.00 0.00 O ATOM 972 CB GLU A 59 10.140 8.540 5.211 1.00 0.00 C ATOM 973 CG GLU A 59 10.737 8.840 6.588 1.00 0.00 C ATOM 974 CD GLU A 59 12.143 8.242 6.675 1.00 0.00 C ATOM 975 OE1 GLU A 59 12.770 8.101 5.638 1.00 0.00 O ATOM 976 OE2 GLU A 59 12.569 7.938 7.776 1.00 0.00 O ATOM 0 H GLU A 59 8.735 6.821 3.857 1.00 0.00 H new ATOM 0 HA GLU A 59 8.279 8.453 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.592 7.639 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.361 9.355 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.777 9.917 6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.103 8.422 7.370 1.00 0.00 H new ATOM 983 N LYS A 60 8.216 10.673 4.762 1.00 0.00 N ATOM 984 CA LYS A 60 7.552 11.773 4.008 1.00 0.00 C ATOM 985 C LYS A 60 8.594 12.801 3.555 1.00 0.00 C ATOM 986 O LYS A 60 9.766 12.500 3.441 1.00 0.00 O ATOM 987 CB LYS A 60 6.573 12.402 5.002 1.00 0.00 C ATOM 988 CG LYS A 60 7.353 13.089 6.124 1.00 0.00 C ATOM 989 CD LYS A 60 6.426 14.035 6.889 1.00 0.00 C ATOM 990 CE LYS A 60 6.224 15.318 6.081 1.00 0.00 C ATOM 991 NZ LYS A 60 5.095 16.020 6.750 1.00 0.00 N ATOM 0 H LYS A 60 8.909 10.975 5.447 1.00 0.00 H new ATOM 0 HA LYS A 60 7.045 11.415 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.936 13.125 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.918 11.636 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.768 12.343 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.194 13.645 5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.466 13.552 7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.853 14.270 7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.125 15.931 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.990 15.096 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.897 16.911 6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.249 15.416 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.350 16.224 7.737 1.00 0.00 H new ATOM 1005 N GLY A 61 8.176 14.010 3.297 1.00 0.00 N ATOM 1006 CA GLY A 61 9.142 15.056 2.852 1.00 0.00 C ATOM 1007 C GLY A 61 10.109 14.467 1.822 1.00 0.00 C ATOM 1008 O GLY A 61 11.221 14.932 1.667 1.00 0.00 O ATOM 0 H GLY A 61 7.207 14.319 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.604 15.899 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.698 15.438 3.708 1.00 0.00 H new ATOM 1012 N SER A 62 9.699 13.447 1.117 1.00 0.00 N ATOM 1013 CA SER A 62 10.603 12.834 0.101 1.00 0.00 C ATOM 1014 C SER A 62 9.983 12.928 -1.297 1.00 0.00 C ATOM 1015 O SER A 62 8.806 13.185 -1.452 1.00 0.00 O ATOM 1016 CB SER A 62 10.742 11.372 0.528 1.00 0.00 C ATOM 1017 OG SER A 62 11.257 11.316 1.852 1.00 0.00 O ATOM 0 H SER A 62 8.780 13.013 1.200 1.00 0.00 H new ATOM 0 HA SER A 62 11.567 13.341 0.051 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.774 10.874 0.481 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.406 10.843 -0.156 1.00 0.00 H new ATOM 0 HG SER A 62 10.533 11.478 2.492 1.00 0.00 H new ATOM 1023 N VAL A 63 10.772 12.716 -2.318 1.00 0.00 N ATOM 1024 CA VAL A 63 10.240 12.788 -3.710 1.00 0.00 C ATOM 1025 C VAL A 63 8.869 12.108 -3.795 1.00 0.00 C ATOM 1026 O VAL A 63 7.942 12.627 -4.387 1.00 0.00 O ATOM 1027 CB VAL A 63 11.264 12.040 -4.564 1.00 0.00 C ATOM 1028 CG1 VAL A 63 11.440 10.619 -4.025 1.00 0.00 C ATOM 1029 CG2 VAL A 63 10.772 11.979 -6.012 1.00 0.00 C ATOM 0 H VAL A 63 11.765 12.495 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 63 10.102 13.816 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 63 12.220 12.563 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.170 10.087 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.790 10.662 -2.994 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.485 10.095 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 63 11.501 11.446 -6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.816 11.457 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.648 12.991 -6.397 1.00 0.00 H new ATOM 1039 N GLN A 64 8.734 10.955 -3.202 1.00 0.00 N ATOM 1040 CA GLN A 64 7.425 10.245 -3.238 1.00 0.00 C ATOM 1041 C GLN A 64 6.344 11.184 -2.720 1.00 0.00 C ATOM 1042 O GLN A 64 5.220 11.186 -3.180 1.00 0.00 O ATOM 1043 CB GLN A 64 7.601 9.061 -2.294 1.00 0.00 C ATOM 1044 CG GLN A 64 8.006 9.584 -0.916 1.00 0.00 C ATOM 1045 CD GLN A 64 8.794 8.507 -0.169 1.00 0.00 C ATOM 1046 OE1 GLN A 64 9.121 7.480 -0.730 1.00 0.00 O ATOM 1047 NE2 GLN A 64 9.114 8.697 1.082 1.00 0.00 N ATOM 0 H GLN A 64 9.475 10.473 -2.693 1.00 0.00 H new ATOM 0 HA GLN A 64 7.136 9.923 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.673 8.493 -2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.362 8.382 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.611 10.484 -1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.119 9.861 -0.346 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.840 9.559 1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.638 7.984 1.588 1.00 0.00 H new ATOM 1056 N TYR A 65 6.694 11.989 -1.762 1.00 0.00 N ATOM 1057 CA TYR A 65 5.721 12.950 -1.192 1.00 0.00 C ATOM 1058 C TYR A 65 5.010 13.702 -2.318 1.00 0.00 C ATOM 1059 O TYR A 65 3.838 13.504 -2.567 1.00 0.00 O ATOM 1060 CB TYR A 65 6.584 13.896 -0.364 1.00 0.00 C ATOM 1061 CG TYR A 65 5.708 14.699 0.546 1.00 0.00 C ATOM 1062 CD1 TYR A 65 5.120 15.877 0.084 1.00 0.00 C ATOM 1063 CD2 TYR A 65 5.483 14.264 1.852 1.00 0.00 C ATOM 1064 CE1 TYR A 65 4.303 16.627 0.931 1.00 0.00 C ATOM 1065 CE2 TYR A 65 4.665 15.011 2.705 1.00 0.00 C ATOM 1066 CZ TYR A 65 4.073 16.195 2.244 1.00 0.00 C ATOM 1067 OH TYR A 65 3.264 16.934 3.083 1.00 0.00 O ATOM 0 H TYR A 65 7.625 12.021 -1.345 1.00 0.00 H new ATOM 0 HA TYR A 65 4.942 12.473 -0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.309 13.328 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.150 14.558 -1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.297 16.208 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.940 13.351 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.848 17.540 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.490 14.677 3.717 1.00 0.00 H new ATOM 0 HH TYR A 65 3.209 16.493 3.957 1.00 0.00 H new ATOM 1077 N LYS A 66 5.715 14.554 -3.006 1.00 0.00 N ATOM 1078 CA LYS A 66 5.079 15.308 -4.125 1.00 0.00 C ATOM 1079 C LYS A 66 4.242 14.347 -4.971 1.00 0.00 C ATOM 1080 O LYS A 66 3.105 14.625 -5.313 1.00 0.00 O ATOM 1081 CB LYS A 66 6.244 15.867 -4.941 1.00 0.00 C ATOM 1082 CG LYS A 66 6.972 16.935 -4.124 1.00 0.00 C ATOM 1083 CD LYS A 66 8.464 16.909 -4.462 1.00 0.00 C ATOM 1084 CE LYS A 66 9.207 17.903 -3.567 1.00 0.00 C ATOM 1085 NZ LYS A 66 9.988 17.060 -2.619 1.00 0.00 N ATOM 0 H LYS A 66 6.700 14.762 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 66 4.417 16.101 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.933 15.065 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.876 16.295 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.557 17.919 -4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.827 16.755 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.863 15.905 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.615 17.165 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.862 18.548 -4.153 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.511 18.553 -3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.525 17.672 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.338 16.461 -2.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.647 16.457 -3.152 1.00 0.00 H new ATOM 1099 N LYS A 67 4.793 13.209 -5.296 1.00 0.00 N ATOM 1100 CA LYS A 67 4.029 12.220 -6.103 1.00 0.00 C ATOM 1101 C LYS A 67 2.661 11.995 -5.460 1.00 0.00 C ATOM 1102 O LYS A 67 1.634 12.263 -6.053 1.00 0.00 O ATOM 1103 CB LYS A 67 4.866 10.940 -6.070 1.00 0.00 C ATOM 1104 CG LYS A 67 5.658 10.817 -7.373 1.00 0.00 C ATOM 1105 CD LYS A 67 6.522 9.554 -7.330 1.00 0.00 C ATOM 1106 CE LYS A 67 5.829 8.433 -8.109 1.00 0.00 C ATOM 1107 NZ LYS A 67 5.746 7.295 -7.152 1.00 0.00 N ATOM 0 H LYS A 67 5.737 12.923 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 67 3.857 12.552 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.546 10.959 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.219 10.072 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.976 10.775 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.287 11.696 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.503 9.757 -7.760 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.684 9.247 -6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.838 8.740 -8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.397 8.160 -8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.282 6.487 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.704 7.021 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.194 7.582 -6.319 1.00 0.00 H new ATOM 1121 N LYS A 68 2.636 11.518 -4.243 1.00 0.00 N ATOM 1122 CA LYS A 68 1.333 11.294 -3.562 1.00 0.00 C ATOM 1123 C LYS A 68 0.418 12.495 -3.799 1.00 0.00 C ATOM 1124 O LYS A 68 -0.725 12.351 -4.160 1.00 0.00 O ATOM 1125 CB LYS A 68 1.677 11.165 -2.080 1.00 0.00 C ATOM 1126 CG LYS A 68 1.113 9.850 -1.539 1.00 0.00 C ATOM 1127 CD LYS A 68 2.163 8.746 -1.683 1.00 0.00 C ATOM 1128 CE LYS A 68 2.621 8.663 -3.141 1.00 0.00 C ATOM 1129 NZ LYS A 68 3.238 7.314 -3.274 1.00 0.00 N ATOM 0 H LYS A 68 3.461 11.275 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 68 0.812 10.411 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.758 11.193 -1.943 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.263 12.007 -1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.833 9.966 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.208 9.579 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.014 8.953 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.746 7.790 -1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.782 8.783 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.338 9.450 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.577 7.182 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.038 7.232 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.530 6.585 -3.052 1.00 0.00 H new ATOM 1143 N GLU A 69 0.913 13.684 -3.601 1.00 0.00 N ATOM 1144 CA GLU A 69 0.059 14.885 -3.824 1.00 0.00 C ATOM 1145 C GLU A 69 -0.790 14.706 -5.089 1.00 0.00 C ATOM 1146 O GLU A 69 -2.005 14.664 -5.035 1.00 0.00 O ATOM 1147 CB GLU A 69 1.042 16.044 -3.995 1.00 0.00 C ATOM 1148 CG GLU A 69 0.642 17.191 -3.066 1.00 0.00 C ATOM 1149 CD GLU A 69 1.886 17.738 -2.364 1.00 0.00 C ATOM 1150 OE1 GLU A 69 2.389 17.060 -1.483 1.00 0.00 O ATOM 1151 OE2 GLU A 69 2.312 18.824 -2.717 1.00 0.00 O ATOM 0 H GLU A 69 1.867 13.877 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.634 15.057 -3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.055 15.713 -3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.044 16.384 -5.031 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.156 17.982 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.080 16.841 -2.328 1.00 0.00 H new ATOM 1158 N GLU A 70 -0.163 14.600 -6.230 1.00 0.00 N ATOM 1159 CA GLU A 70 -0.943 14.430 -7.493 1.00 0.00 C ATOM 1160 C GLU A 70 -1.428 12.983 -7.654 1.00 0.00 C ATOM 1161 O GLU A 70 -2.602 12.730 -7.863 1.00 0.00 O ATOM 1162 CB GLU A 70 0.037 14.792 -8.611 1.00 0.00 C ATOM 1163 CG GLU A 70 -0.718 15.469 -9.757 1.00 0.00 C ATOM 1164 CD GLU A 70 -0.936 14.462 -10.888 1.00 0.00 C ATOM 1165 OE1 GLU A 70 -0.168 13.518 -10.970 1.00 0.00 O ATOM 1166 OE2 GLU A 70 -1.867 14.652 -11.653 1.00 0.00 O ATOM 0 H GLU A 70 0.850 14.623 -6.343 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.836 15.055 -7.503 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.811 15.458 -8.229 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.539 13.895 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.677 15.847 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.153 16.326 -10.123 1.00 0.00 H new ATOM 1173 N MET A 71 -0.536 12.035 -7.572 1.00 0.00 N ATOM 1174 CA MET A 71 -0.943 10.609 -7.735 1.00 0.00 C ATOM 1175 C MET A 71 -2.089 10.264 -6.780 1.00 0.00 C ATOM 1176 O MET A 71 -3.048 9.619 -7.155 1.00 0.00 O ATOM 1177 CB MET A 71 0.308 9.802 -7.388 1.00 0.00 C ATOM 1178 CG MET A 71 1.321 9.917 -8.528 1.00 0.00 C ATOM 1179 SD MET A 71 1.212 8.452 -9.584 1.00 0.00 S ATOM 1180 CE MET A 71 1.935 7.275 -8.414 1.00 0.00 C ATOM 0 H MET A 71 0.458 12.185 -7.399 1.00 0.00 H new ATOM 0 HA MET A 71 -1.302 10.397 -8.742 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.745 10.170 -6.460 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.046 8.757 -7.224 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.125 10.815 -9.113 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.329 10.013 -8.124 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.509 6.526 -8.959 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.593 7.805 -7.725 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.140 6.785 -7.852 1.00 0.00 H new ATOM 1190 N LEU A 72 -1.998 10.687 -5.551 1.00 0.00 N ATOM 1191 CA LEU A 72 -3.088 10.380 -4.580 1.00 0.00 C ATOM 1192 C LEU A 72 -4.358 11.136 -4.967 1.00 0.00 C ATOM 1193 O LEU A 72 -5.451 10.698 -4.693 1.00 0.00 O ATOM 1194 CB LEU A 72 -2.568 10.825 -3.201 1.00 0.00 C ATOM 1195 CG LEU A 72 -2.931 12.292 -2.934 1.00 0.00 C ATOM 1196 CD1 LEU A 72 -4.384 12.383 -2.466 1.00 0.00 C ATOM 1197 CD2 LEU A 72 -2.011 12.853 -1.849 1.00 0.00 C ATOM 0 H LEU A 72 -1.220 11.230 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.342 9.320 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.995 10.192 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.486 10.699 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.809 12.869 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.641 13.425 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.041 11.982 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.508 11.807 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.267 13.895 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.134 12.275 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.975 12.789 -2.182 1.00 0.00 H new ATOM 1209 N LYS A 73 -4.225 12.271 -5.602 1.00 0.00 N ATOM 1210 CA LYS A 73 -5.440 13.034 -6.004 1.00 0.00 C ATOM 1211 C LYS A 73 -6.314 12.161 -6.909 1.00 0.00 C ATOM 1212 O LYS A 73 -7.375 11.699 -6.523 1.00 0.00 O ATOM 1213 CB LYS A 73 -4.912 14.245 -6.776 1.00 0.00 C ATOM 1214 CG LYS A 73 -5.217 15.525 -5.997 1.00 0.00 C ATOM 1215 CD LYS A 73 -4.773 16.738 -6.815 1.00 0.00 C ATOM 1216 CE LYS A 73 -5.849 17.824 -6.742 1.00 0.00 C ATOM 1217 NZ LYS A 73 -5.916 18.203 -5.303 1.00 0.00 N ATOM 0 H LYS A 73 -3.335 12.699 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.049 13.334 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.837 14.149 -6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.374 14.289 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.284 15.588 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.700 15.511 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.827 17.122 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.603 16.448 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.589 18.680 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -6.810 17.452 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.357 19.140 -5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.483 17.501 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.955 18.232 -4.907 1.00 0.00 H new ATOM 1231 N LYS A 74 -5.867 11.916 -8.111 1.00 0.00 N ATOM 1232 CA LYS A 74 -6.667 11.060 -9.033 1.00 0.00 C ATOM 1233 C LYS A 74 -7.080 9.782 -8.303 1.00 0.00 C ATOM 1234 O LYS A 74 -8.239 9.401 -8.288 1.00 0.00 O ATOM 1235 CB LYS A 74 -5.729 10.741 -10.198 1.00 0.00 C ATOM 1236 CG LYS A 74 -6.265 11.388 -11.476 1.00 0.00 C ATOM 1237 CD LYS A 74 -5.211 12.338 -12.053 1.00 0.00 C ATOM 1238 CE LYS A 74 -5.625 12.766 -13.463 1.00 0.00 C ATOM 1239 NZ LYS A 74 -4.612 13.778 -13.874 1.00 0.00 N ATOM 0 H LYS A 74 -4.989 12.269 -8.492 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.578 11.547 -9.379 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.726 11.111 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.649 9.662 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.515 10.619 -12.207 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.183 11.935 -11.261 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.106 13.213 -11.412 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.239 11.845 -12.082 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.634 11.917 -14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.630 13.189 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.830 14.118 -14.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.631 14.578 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.666 13.345 -13.867 1.00 0.00 H new ATOM 1253 N PHE A 75 -6.142 9.125 -7.680 1.00 0.00 N ATOM 1254 CA PHE A 75 -6.479 7.885 -6.933 1.00 0.00 C ATOM 1255 C PHE A 75 -7.484 8.222 -5.835 1.00 0.00 C ATOM 1256 O PHE A 75 -8.319 7.420 -5.472 1.00 0.00 O ATOM 1257 CB PHE A 75 -5.156 7.411 -6.329 1.00 0.00 C ATOM 1258 CG PHE A 75 -4.424 6.559 -7.337 1.00 0.00 C ATOM 1259 CD1 PHE A 75 -5.111 5.566 -8.042 1.00 0.00 C ATOM 1260 CD2 PHE A 75 -3.058 6.764 -7.567 1.00 0.00 C ATOM 1261 CE1 PHE A 75 -4.434 4.776 -8.979 1.00 0.00 C ATOM 1262 CE2 PHE A 75 -2.380 5.975 -8.504 1.00 0.00 C ATOM 1263 CZ PHE A 75 -3.069 4.980 -9.210 1.00 0.00 C ATOM 0 H PHE A 75 -5.158 9.394 -7.657 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.926 7.116 -7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.544 8.268 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.342 6.840 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.164 5.408 -7.864 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.528 7.531 -7.022 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.965 4.009 -9.523 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.327 6.133 -8.682 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.547 4.370 -9.932 1.00 0.00 H new ATOM 1273 N ARG A 76 -7.423 9.414 -5.315 1.00 0.00 N ATOM 1274 CA ARG A 76 -8.389 9.802 -4.256 1.00 0.00 C ATOM 1275 C ARG A 76 -9.784 9.415 -4.713 1.00 0.00 C ATOM 1276 O ARG A 76 -10.503 8.717 -4.032 1.00 0.00 O ATOM 1277 CB ARG A 76 -8.274 11.323 -4.129 1.00 0.00 C ATOM 1278 CG ARG A 76 -8.968 11.780 -2.846 1.00 0.00 C ATOM 1279 CD ARG A 76 -9.466 13.216 -3.020 1.00 0.00 C ATOM 1280 NE ARG A 76 -10.926 13.085 -3.287 1.00 0.00 N ATOM 1281 CZ ARG A 76 -11.613 14.117 -3.700 1.00 0.00 C ATOM 1282 NH1 ARG A 76 -11.034 15.280 -3.835 1.00 0.00 N ATOM 1283 NH2 ARG A 76 -12.881 13.983 -3.978 1.00 0.00 N ATOM 0 H ARG A 76 -6.749 10.133 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.191 9.313 -3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.225 11.619 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.729 11.806 -4.994 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.804 11.119 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.276 11.723 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.280 13.810 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.956 13.714 -3.845 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.390 12.188 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.043 15.385 -3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.573 16.084 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.333 13.075 -3.873 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.420 14.787 -4.301 1.00 0.00 H new ATOM 1297 N ASN A 77 -10.164 9.852 -5.876 1.00 0.00 N ATOM 1298 CA ASN A 77 -11.513 9.499 -6.389 1.00 0.00 C ATOM 1299 C ASN A 77 -11.629 7.982 -6.577 1.00 0.00 C ATOM 1300 O ASN A 77 -12.388 7.319 -5.899 1.00 0.00 O ATOM 1301 CB ASN A 77 -11.625 10.216 -7.735 1.00 0.00 C ATOM 1302 CG ASN A 77 -12.150 11.635 -7.516 1.00 0.00 C ATOM 1303 OD1 ASN A 77 -13.105 12.046 -8.146 1.00 0.00 O ATOM 1304 ND2 ASN A 77 -11.563 12.408 -6.643 1.00 0.00 N ATOM 0 H ASN A 77 -9.601 10.437 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.306 9.795 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.651 10.249 -8.224 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.295 9.667 -8.397 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -11.906 13.356 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.762 12.064 -6.114 1.00 0.00 H new ATOM 1311 N ALA A 78 -10.888 7.429 -7.498 1.00 0.00 N ATOM 1312 CA ALA A 78 -10.973 5.956 -7.740 1.00 0.00 C ATOM 1313 C ALA A 78 -10.379 5.156 -6.574 1.00 0.00 C ATOM 1314 O ALA A 78 -11.080 4.449 -5.873 1.00 0.00 O ATOM 1315 CB ALA A 78 -10.159 5.720 -9.010 1.00 0.00 C ATOM 0 H ALA A 78 -10.228 7.930 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.008 5.629 -7.836 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.171 4.659 -9.258 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.593 6.289 -9.832 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.131 6.043 -8.848 1.00 0.00 H new ATOM 1321 N MET A 79 -9.090 5.242 -6.378 1.00 0.00 N ATOM 1322 CA MET A 79 -8.439 4.469 -5.277 1.00 0.00 C ATOM 1323 C MET A 79 -9.322 4.419 -4.024 1.00 0.00 C ATOM 1324 O MET A 79 -9.632 3.357 -3.524 1.00 0.00 O ATOM 1325 CB MET A 79 -7.136 5.213 -4.984 1.00 0.00 C ATOM 1326 CG MET A 79 -6.005 4.204 -4.778 1.00 0.00 C ATOM 1327 SD MET A 79 -4.975 4.729 -3.385 1.00 0.00 S ATOM 1328 CE MET A 79 -3.952 3.239 -3.283 1.00 0.00 C ATOM 0 H MET A 79 -8.457 5.816 -6.935 1.00 0.00 H new ATOM 0 HA MET A 79 -8.269 3.432 -5.567 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.894 5.882 -5.809 1.00 0.00 H new ATOM 0 HB3 MET A 79 -7.251 5.832 -4.094 1.00 0.00 H new ATOM 0 HG2 MET A 79 -6.417 3.213 -4.586 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.401 4.128 -5.682 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.902 2.902 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.390 2.454 -3.899 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.947 3.462 -3.641 1.00 0.00 H new ATOM 1338 N LEU A 80 -9.722 5.546 -3.502 1.00 0.00 N ATOM 1339 CA LEU A 80 -10.570 5.521 -2.274 1.00 0.00 C ATOM 1340 C LEU A 80 -11.820 4.669 -2.497 1.00 0.00 C ATOM 1341 O LEU A 80 -12.124 3.795 -1.712 1.00 0.00 O ATOM 1342 CB LEU A 80 -10.953 6.974 -2.009 1.00 0.00 C ATOM 1343 CG LEU A 80 -9.685 7.798 -1.779 1.00 0.00 C ATOM 1344 CD1 LEU A 80 -10.070 9.215 -1.355 1.00 0.00 C ATOM 1345 CD2 LEU A 80 -8.849 7.147 -0.675 1.00 0.00 C ATOM 0 H LEU A 80 -9.502 6.473 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.038 5.083 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.512 7.375 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.604 7.037 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.104 7.838 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.167 9.804 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.668 9.679 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.649 9.174 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.945 7.733 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.430 7.109 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.576 6.135 -0.974 1.00 0.00 H new ATOM 1357 N LYS A 81 -12.551 4.912 -3.555 1.00 0.00 N ATOM 1358 CA LYS A 81 -13.780 4.102 -3.802 1.00 0.00 C ATOM 1359 C LYS A 81 -13.515 2.630 -3.475 1.00 0.00 C ATOM 1360 O LYS A 81 -14.127 2.060 -2.592 1.00 0.00 O ATOM 1361 CB LYS A 81 -14.091 4.271 -5.292 1.00 0.00 C ATOM 1362 CG LYS A 81 -14.829 5.593 -5.520 1.00 0.00 C ATOM 1363 CD LYS A 81 -16.031 5.686 -4.579 1.00 0.00 C ATOM 1364 CE LYS A 81 -15.664 6.552 -3.371 1.00 0.00 C ATOM 1365 NZ LYS A 81 -16.510 6.039 -2.257 1.00 0.00 N ATOM 0 H LYS A 81 -12.352 5.630 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.613 4.426 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.167 4.255 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.701 3.438 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.154 6.431 -5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.161 5.661 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.885 6.116 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.327 4.690 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.604 6.468 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.864 7.606 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.692 6.805 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.414 5.693 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.016 5.260 -1.776 1.00 0.00 H new ATOM 1379 N SER A 82 -12.601 2.013 -4.173 1.00 0.00 N ATOM 1380 CA SER A 82 -12.297 0.578 -3.896 1.00 0.00 C ATOM 1381 C SER A 82 -11.451 0.444 -2.625 1.00 0.00 C ATOM 1382 O SER A 82 -11.841 -0.206 -1.675 1.00 0.00 O ATOM 1383 CB SER A 82 -11.510 0.098 -5.114 1.00 0.00 C ATOM 1384 OG SER A 82 -12.097 -1.098 -5.610 1.00 0.00 O ATOM 0 H SER A 82 -12.053 2.438 -4.921 1.00 0.00 H new ATOM 0 HA SER A 82 -13.202 -0.008 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.511 0.866 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.469 -0.079 -4.842 1.00 0.00 H new ATOM 0 HG SER A 82 -11.596 -1.408 -6.393 1.00 0.00 H new ATOM 1390 N ILE A 83 -10.295 1.048 -2.602 1.00 0.00 N ATOM 1391 CA ILE A 83 -9.423 0.947 -1.395 1.00 0.00 C ATOM 1392 C ILE A 83 -10.209 1.319 -0.135 1.00 0.00 C ATOM 1393 O ILE A 83 -10.425 0.499 0.736 1.00 0.00 O ATOM 1394 CB ILE A 83 -8.289 1.945 -1.636 1.00 0.00 C ATOM 1395 CG1 ILE A 83 -7.568 1.594 -2.940 1.00 0.00 C ATOM 1396 CG2 ILE A 83 -7.296 1.879 -0.474 1.00 0.00 C ATOM 1397 CD1 ILE A 83 -7.254 0.096 -2.964 1.00 0.00 C ATOM 0 H ILE A 83 -9.915 1.607 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.048 -0.065 -1.244 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.701 2.952 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.190 1.859 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.647 2.171 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -6.488 2.590 -0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -7.807 2.128 0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -6.885 0.872 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.741 -0.153 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.615 -0.155 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.182 -0.471 -2.899 1.00 0.00 H new ATOM 1409 N CYS A 84 -10.638 2.548 -0.026 1.00 0.00 N ATOM 1410 CA CYS A 84 -11.409 2.959 1.182 1.00 0.00 C ATOM 1411 C CYS A 84 -12.440 1.884 1.534 1.00 0.00 C ATOM 1412 O CYS A 84 -12.553 1.471 2.671 1.00 0.00 O ATOM 1413 CB CYS A 84 -12.101 4.266 0.794 1.00 0.00 C ATOM 1414 SG CYS A 84 -12.306 5.301 2.264 1.00 0.00 S ATOM 0 H CYS A 84 -10.489 3.282 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 84 -10.771 3.088 2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -11.511 4.793 0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -13.072 4.056 0.346 1.00 0.00 H new ATOM 0 HG CYS A 84 -12.892 6.413 1.933 1.00 0.00 H new ATOM 1420 N GLU A 85 -13.191 1.423 0.569 1.00 0.00 N ATOM 1421 CA GLU A 85 -14.207 0.372 0.862 1.00 0.00 C ATOM 1422 C GLU A 85 -13.577 -0.749 1.693 1.00 0.00 C ATOM 1423 O GLU A 85 -14.223 -1.359 2.521 1.00 0.00 O ATOM 1424 CB GLU A 85 -14.645 -0.156 -0.503 1.00 0.00 C ATOM 1425 CG GLU A 85 -16.166 -0.043 -0.629 1.00 0.00 C ATOM 1426 CD GLU A 85 -16.515 0.890 -1.789 1.00 0.00 C ATOM 1427 OE1 GLU A 85 -16.377 2.090 -1.622 1.00 0.00 O ATOM 1428 OE2 GLU A 85 -16.917 0.387 -2.826 1.00 0.00 O ATOM 0 H GLU A 85 -13.145 1.727 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 85 -15.049 0.762 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.160 0.412 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.336 -1.195 -0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.602 -1.028 -0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.591 0.339 0.299 1.00 0.00 H new ATOM 1435 N VAL A 86 -12.319 -1.023 1.479 1.00 0.00 N ATOM 1436 CA VAL A 86 -11.649 -2.104 2.258 1.00 0.00 C ATOM 1437 C VAL A 86 -10.248 -1.658 2.683 1.00 0.00 C ATOM 1438 O VAL A 86 -9.260 -2.285 2.357 1.00 0.00 O ATOM 1439 CB VAL A 86 -11.565 -3.290 1.298 1.00 0.00 C ATOM 1440 CG1 VAL A 86 -11.002 -4.508 2.034 1.00 0.00 C ATOM 1441 CG2 VAL A 86 -12.964 -3.617 0.770 1.00 0.00 C ATOM 0 H VAL A 86 -11.726 -0.546 0.799 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.193 -2.355 3.169 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.910 -3.036 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.943 -5.353 1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -10.006 -4.277 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.656 -4.763 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.906 -4.463 0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -13.618 -3.870 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.366 -2.751 0.244 1.00 0.00 H new ATOM 1451 N LEU A 87 -10.155 -0.577 3.408 1.00 0.00 N ATOM 1452 CA LEU A 87 -8.816 -0.092 3.852 1.00 0.00 C ATOM 1453 C LEU A 87 -8.899 0.464 5.276 1.00 0.00 C ATOM 1454 O LEU A 87 -8.708 1.643 5.504 1.00 0.00 O ATOM 1455 CB LEU A 87 -8.450 1.014 2.865 1.00 0.00 C ATOM 1456 CG LEU A 87 -6.979 1.392 3.048 1.00 0.00 C ATOM 1457 CD1 LEU A 87 -6.101 0.421 2.258 1.00 0.00 C ATOM 1458 CD2 LEU A 87 -6.749 2.817 2.537 1.00 0.00 C ATOM 0 H LEU A 87 -10.946 -0.009 3.712 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.072 -0.888 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.626 0.678 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.084 1.886 3.027 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.720 1.339 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.053 0.690 2.388 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.263 -0.594 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.361 0.474 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.701 3.086 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.008 2.871 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.374 3.511 3.099 1.00 0.00 H new ATOM 1470 N ASP A 88 -9.182 -0.373 6.236 1.00 0.00 N ATOM 1471 CA ASP A 88 -9.276 0.111 7.643 1.00 0.00 C ATOM 1472 C ASP A 88 -10.126 1.381 7.707 1.00 0.00 C ATOM 1473 O ASP A 88 -9.868 2.274 8.490 1.00 0.00 O ATOM 1474 CB ASP A 88 -7.834 0.407 8.058 1.00 0.00 C ATOM 1475 CG ASP A 88 -7.809 0.880 9.513 1.00 0.00 C ATOM 1476 OD1 ASP A 88 -8.806 0.697 10.192 1.00 0.00 O ATOM 1477 OD2 ASP A 88 -6.793 1.415 9.923 1.00 0.00 O ATOM 0 H ASP A 88 -9.352 -1.370 6.107 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.746 -0.619 8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.221 -0.487 7.944 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.407 1.171 7.409 1.00 0.00 H new ATOM 1482 N LEU A 89 -11.138 1.467 6.890 1.00 0.00 N ATOM 1483 CA LEU A 89 -12.007 2.678 6.903 1.00 0.00 C ATOM 1484 C LEU A 89 -13.444 2.298 6.541 1.00 0.00 C ATOM 1485 O LEU A 89 -13.717 1.190 6.123 1.00 0.00 O ATOM 1486 CB LEU A 89 -11.417 3.602 5.838 1.00 0.00 C ATOM 1487 CG LEU A 89 -10.771 4.813 6.514 1.00 0.00 C ATOM 1488 CD1 LEU A 89 -9.256 4.618 6.571 1.00 0.00 C ATOM 1489 CD2 LEU A 89 -11.091 6.074 5.708 1.00 0.00 C ATOM 0 H LEU A 89 -11.402 0.751 6.213 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.038 3.153 7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.676 3.065 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -12.198 3.929 5.152 1.00 0.00 H new ATOM 0 HG LEU A 89 -11.162 4.916 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.796 5.481 7.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.026 3.718 7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.864 4.516 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.632 6.939 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.698 5.969 4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.171 6.214 5.665 1.00 0.00 H new ATOM 1501 N GLU A 90 -14.365 3.208 6.697 1.00 0.00 N ATOM 1502 CA GLU A 90 -15.782 2.898 6.361 1.00 0.00 C ATOM 1503 C GLU A 90 -16.364 3.997 5.468 1.00 0.00 C ATOM 1504 O GLU A 90 -17.538 4.303 5.528 1.00 0.00 O ATOM 1505 CB GLU A 90 -16.506 2.857 7.707 1.00 0.00 C ATOM 1506 CG GLU A 90 -15.868 1.791 8.601 1.00 0.00 C ATOM 1507 CD GLU A 90 -16.817 1.455 9.753 1.00 0.00 C ATOM 1508 OE1 GLU A 90 -17.773 2.190 9.940 1.00 0.00 O ATOM 1509 OE2 GLU A 90 -16.572 0.469 10.428 1.00 0.00 O ATOM 0 H GLU A 90 -14.197 4.153 7.043 1.00 0.00 H new ATOM 0 HA GLU A 90 -15.884 1.960 5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -16.451 3.832 8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -17.562 2.635 7.556 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.654 0.894 8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.917 2.152 8.993 1.00 0.00 H new ATOM 1516 N ARG A 91 -15.550 4.596 4.643 1.00 0.00 N ATOM 1517 CA ARG A 91 -16.055 5.678 3.748 1.00 0.00 C ATOM 1518 C ARG A 91 -16.526 6.869 4.583 1.00 0.00 C ATOM 1519 O ARG A 91 -17.661 6.930 5.013 1.00 0.00 O ATOM 1520 CB ARG A 91 -17.229 5.055 2.994 1.00 0.00 C ATOM 1521 CG ARG A 91 -17.406 5.763 1.649 1.00 0.00 C ATOM 1522 CD ARG A 91 -17.978 7.165 1.876 1.00 0.00 C ATOM 1523 NE ARG A 91 -19.287 6.943 2.552 1.00 0.00 N ATOM 1524 CZ ARG A 91 -19.968 7.960 3.007 1.00 0.00 C ATOM 1525 NH1 ARG A 91 -19.350 8.951 3.589 1.00 0.00 N ATOM 1526 NH2 ARG A 91 -21.266 7.987 2.879 1.00 0.00 N ATOM 0 H ARG A 91 -14.557 4.384 4.549 1.00 0.00 H new ATOM 0 HA ARG A 91 -15.286 6.046 3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -17.050 3.991 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -18.141 5.141 3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -16.448 5.830 1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -18.074 5.187 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -17.312 7.768 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -18.106 7.696 0.933 1.00 0.00 H new ATOM 0 HE ARG A 91 -19.651 5.996 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -18.335 8.931 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -19.882 9.745 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -21.750 7.213 2.423 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -21.797 8.782 3.235 1.00 0.00 H new ATOM 1540 N SER A 92 -15.662 7.817 4.822 1.00 0.00 N ATOM 1541 CA SER A 92 -16.061 9.001 5.634 1.00 0.00 C ATOM 1542 C SER A 92 -15.094 10.162 5.391 1.00 0.00 C ATOM 1543 O SER A 92 -13.902 9.973 5.254 1.00 0.00 O ATOM 1544 CB SER A 92 -15.977 8.525 7.084 1.00 0.00 C ATOM 1545 OG SER A 92 -14.911 7.592 7.210 1.00 0.00 O ATOM 0 H SER A 92 -14.697 7.823 4.490 1.00 0.00 H new ATOM 0 HA SER A 92 -17.057 9.363 5.378 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.814 9.373 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.918 8.063 7.382 1.00 0.00 H new ATOM 0 HG SER A 92 -14.853 7.286 8.139 1.00 0.00 H new ATOM 1551 N GLY A 93 -15.599 11.365 5.336 1.00 0.00 N ATOM 1552 CA GLY A 93 -14.710 12.539 5.103 1.00 0.00 C ATOM 1553 C GLY A 93 -15.065 13.195 3.767 1.00 0.00 C ATOM 1554 O GLY A 93 -15.672 12.587 2.908 1.00 0.00 O ATOM 0 H GLY A 93 -16.589 11.585 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.821 13.259 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.667 12.223 5.098 1.00 0.00 H new ATOM 1558 N VAL A 94 -14.688 14.432 3.584 1.00 0.00 N ATOM 1559 CA VAL A 94 -15.003 15.125 2.301 1.00 0.00 C ATOM 1560 C VAL A 94 -13.779 15.119 1.382 1.00 0.00 C ATOM 1561 O VAL A 94 -12.736 14.596 1.721 1.00 0.00 O ATOM 1562 CB VAL A 94 -15.371 16.554 2.702 1.00 0.00 C ATOM 1563 CG1 VAL A 94 -16.682 16.542 3.489 1.00 0.00 C ATOM 1564 CG2 VAL A 94 -14.260 17.139 3.574 1.00 0.00 C ATOM 0 H VAL A 94 -14.176 14.992 4.266 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.810 14.637 1.754 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.491 17.163 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.944 17.561 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.475 16.124 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.563 15.933 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -14.521 18.158 3.861 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -14.141 16.529 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.325 17.148 3.014 1.00 0.00 H new ATOM 1574 N ASN A 95 -13.902 15.695 0.217 1.00 0.00 N ATOM 1575 CA ASN A 95 -12.750 15.722 -0.731 1.00 0.00 C ATOM 1576 C ASN A 95 -11.454 16.077 0.004 1.00 0.00 C ATOM 1577 O ASN A 95 -10.508 15.313 0.021 1.00 0.00 O ATOM 1578 CB ASN A 95 -13.103 16.809 -1.746 1.00 0.00 C ATOM 1579 CG ASN A 95 -14.486 16.530 -2.337 1.00 0.00 C ATOM 1580 OD1 ASN A 95 -15.424 16.257 -1.614 1.00 0.00 O ATOM 1581 ND2 ASN A 95 -14.653 16.585 -3.630 1.00 0.00 N ATOM 0 H ASN A 95 -14.751 16.149 -0.120 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.586 14.754 -1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -13.093 17.787 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -12.356 16.836 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -15.571 16.399 -4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.866 16.814 -4.237 1.00 0.00 H new ATOM 1588 N SER A 96 -11.400 17.233 0.608 1.00 0.00 N ATOM 1589 CA SER A 96 -10.163 17.640 1.336 1.00 0.00 C ATOM 1590 C SER A 96 -9.785 16.581 2.375 1.00 0.00 C ATOM 1591 O SER A 96 -8.623 16.315 2.611 1.00 0.00 O ATOM 1592 CB SER A 96 -10.517 18.961 2.022 1.00 0.00 C ATOM 1593 OG SER A 96 -11.778 19.418 1.550 1.00 0.00 O ATOM 0 H SER A 96 -12.159 17.914 0.629 1.00 0.00 H new ATOM 0 HA SER A 96 -9.310 17.746 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.549 18.824 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.748 19.706 1.818 1.00 0.00 H new ATOM 0 HG SER A 96 -12.005 20.263 1.991 1.00 0.00 H new ATOM 1599 N GLU A 97 -10.757 15.975 3.000 1.00 0.00 N ATOM 1600 CA GLU A 97 -10.451 14.934 4.024 1.00 0.00 C ATOM 1601 C GLU A 97 -9.941 13.657 3.352 1.00 0.00 C ATOM 1602 O GLU A 97 -9.274 12.849 3.965 1.00 0.00 O ATOM 1603 CB GLU A 97 -11.780 14.672 4.733 1.00 0.00 C ATOM 1604 CG GLU A 97 -11.536 13.802 5.969 1.00 0.00 C ATOM 1605 CD GLU A 97 -11.557 14.677 7.224 1.00 0.00 C ATOM 1606 OE1 GLU A 97 -12.308 15.638 7.239 1.00 0.00 O ATOM 1607 OE2 GLU A 97 -10.822 14.369 8.148 1.00 0.00 O ATOM 0 H GLU A 97 -11.749 16.155 2.847 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.674 15.257 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.241 15.616 5.025 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.474 14.174 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.301 13.029 6.039 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.576 13.293 5.884 1.00 0.00 H new ATOM 1614 N LEU A 98 -10.251 13.467 2.098 1.00 0.00 N ATOM 1615 CA LEU A 98 -9.780 12.239 1.393 1.00 0.00 C ATOM 1616 C LEU A 98 -8.289 12.354 1.067 1.00 0.00 C ATOM 1617 O LEU A 98 -7.468 11.653 1.622 1.00 0.00 O ATOM 1618 CB LEU A 98 -10.612 12.175 0.112 1.00 0.00 C ATOM 1619 CG LEU A 98 -12.046 11.769 0.454 1.00 0.00 C ATOM 1620 CD1 LEU A 98 -12.864 11.651 -0.832 1.00 0.00 C ATOM 1621 CD2 LEU A 98 -12.035 10.419 1.177 1.00 0.00 C ATOM 0 H LEU A 98 -10.808 14.107 1.532 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.900 11.341 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.606 13.144 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.175 11.457 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.493 12.525 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.886 11.362 -0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.872 12.611 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.418 10.896 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.057 10.129 1.421 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.588 9.664 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.452 10.502 2.094 1.00 0.00 H new ATOM 1633 N VAL A 99 -7.931 13.236 0.174 1.00 0.00 N ATOM 1634 CA VAL A 99 -6.489 13.392 -0.176 1.00 0.00 C ATOM 1635 C VAL A 99 -5.658 13.512 1.105 1.00 0.00 C ATOM 1636 O VAL A 99 -4.632 12.878 1.257 1.00 0.00 O ATOM 1637 CB VAL A 99 -6.422 14.686 -0.993 1.00 0.00 C ATOM 1638 CG1 VAL A 99 -4.984 15.210 -1.022 1.00 0.00 C ATOM 1639 CG2 VAL A 99 -6.892 14.408 -2.424 1.00 0.00 C ATOM 0 H VAL A 99 -8.571 13.853 -0.327 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.095 12.543 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.067 15.435 -0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.944 16.130 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.649 15.410 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.334 14.463 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.845 15.328 -3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.247 13.656 -2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.919 14.042 -2.405 1.00 0.00 H new ATOM 1649 N LYS A 100 -6.102 14.313 2.031 1.00 0.00 N ATOM 1650 CA LYS A 100 -5.350 14.469 3.306 1.00 0.00 C ATOM 1651 C LYS A 100 -5.274 13.124 4.034 1.00 0.00 C ATOM 1652 O LYS A 100 -4.353 12.861 4.783 1.00 0.00 O ATOM 1653 CB LYS A 100 -6.163 15.479 4.116 1.00 0.00 C ATOM 1654 CG LYS A 100 -5.391 15.868 5.377 1.00 0.00 C ATOM 1655 CD LYS A 100 -6.358 15.959 6.558 1.00 0.00 C ATOM 1656 CE LYS A 100 -5.569 16.188 7.850 1.00 0.00 C ATOM 1657 NZ LYS A 100 -6.583 16.118 8.938 1.00 0.00 N ATOM 0 H LYS A 100 -6.955 14.868 1.960 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.324 14.804 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.365 16.365 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.128 15.051 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.616 15.130 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -4.890 16.824 5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.064 16.775 6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.942 15.042 6.634 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.797 15.430 7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.067 17.156 7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.118 16.266 9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.301 16.856 8.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.039 15.184 8.928 1.00 0.00 H new ATOM 1671 N ARG A 101 -6.240 12.272 3.820 1.00 0.00 N ATOM 1672 CA ARG A 101 -6.231 10.943 4.497 1.00 0.00 C ATOM 1673 C ARG A 101 -5.073 10.084 3.981 1.00 0.00 C ATOM 1674 O ARG A 101 -4.414 9.398 4.739 1.00 0.00 O ATOM 1675 CB ARG A 101 -7.572 10.303 4.133 1.00 0.00 C ATOM 1676 CG ARG A 101 -8.213 9.705 5.387 1.00 0.00 C ATOM 1677 CD ARG A 101 -8.576 10.828 6.361 1.00 0.00 C ATOM 1678 NE ARG A 101 -9.189 10.138 7.532 1.00 0.00 N ATOM 1679 CZ ARG A 101 -9.957 10.802 8.352 1.00 0.00 C ATOM 1680 NH1 ARG A 101 -11.059 11.348 7.916 1.00 0.00 N ATOM 1681 NH2 ARG A 101 -9.623 10.918 9.609 1.00 0.00 N ATOM 0 H ARG A 101 -7.036 12.439 3.205 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.099 11.035 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.235 11.049 3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -7.424 9.527 3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.106 9.140 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -7.525 9.006 5.862 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.694 11.396 6.655 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -9.273 11.533 5.909 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.008 9.147 7.692 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.320 11.256 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.659 11.867 8.557 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.762 10.490 9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.223 11.437 10.250 1.00 0.00 H new ATOM 1695 N ILE A 102 -4.816 10.109 2.700 1.00 0.00 N ATOM 1696 CA ILE A 102 -3.697 9.283 2.158 1.00 0.00 C ATOM 1697 C ILE A 102 -2.358 9.829 2.661 1.00 0.00 C ATOM 1698 O ILE A 102 -1.410 9.093 2.851 1.00 0.00 O ATOM 1699 CB ILE A 102 -3.793 9.382 0.626 1.00 0.00 C ATOM 1700 CG1 ILE A 102 -3.143 10.680 0.138 1.00 0.00 C ATOM 1701 CG2 ILE A 102 -5.261 9.357 0.193 1.00 0.00 C ATOM 1702 CD1 ILE A 102 -1.676 10.420 -0.216 1.00 0.00 C ATOM 0 H ILE A 102 -5.327 10.660 2.011 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.764 8.245 2.482 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.270 8.532 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.676 11.060 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.211 11.445 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.321 9.427 -0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.722 8.426 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.787 10.200 0.641 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.216 11.345 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.147 10.060 0.667 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.619 9.669 -1.004 1.00 0.00 H new ATOM 1714 N LEU A 103 -2.277 11.113 2.884 1.00 0.00 N ATOM 1715 CA LEU A 103 -1.002 11.701 3.381 1.00 0.00 C ATOM 1716 C LEU A 103 -0.757 11.268 4.827 1.00 0.00 C ATOM 1717 O LEU A 103 0.366 11.212 5.289 1.00 0.00 O ATOM 1718 CB LEU A 103 -1.204 13.214 3.297 1.00 0.00 C ATOM 1719 CG LEU A 103 -1.570 13.600 1.863 1.00 0.00 C ATOM 1720 CD1 LEU A 103 -1.996 15.068 1.818 1.00 0.00 C ATOM 1721 CD2 LEU A 103 -0.355 13.394 0.955 1.00 0.00 C ATOM 0 H LEU A 103 -3.037 11.778 2.744 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.139 11.376 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.993 13.525 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.294 13.731 3.603 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.394 12.974 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.256 15.340 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.861 15.216 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.174 15.696 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.614 13.669 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.468 14.019 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.052 12.347 0.984 1.00 0.00 H new ATOM 1733 N ASN A 104 -1.802 10.956 5.544 1.00 0.00 N ATOM 1734 CA ASN A 104 -1.633 10.522 6.960 1.00 0.00 C ATOM 1735 C ASN A 104 -1.814 9.005 7.072 1.00 0.00 C ATOM 1736 O ASN A 104 -1.442 8.399 8.056 1.00 0.00 O ATOM 1737 CB ASN A 104 -2.733 11.249 7.734 1.00 0.00 C ATOM 1738 CG ASN A 104 -2.478 12.757 7.692 1.00 0.00 C ATOM 1739 OD1 ASN A 104 -1.849 13.303 8.576 1.00 0.00 O ATOM 1740 ND2 ASN A 104 -2.943 13.459 6.695 1.00 0.00 N ATOM 0 H ASN A 104 -2.766 10.983 5.210 1.00 0.00 H new ATOM 0 HA ASN A 104 -0.641 10.755 7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.707 11.022 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.755 10.902 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.778 14.465 6.659 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.471 13.002 5.952 1.00 0.00 H new ATOM 1747 N PHE A 105 -2.384 8.388 6.071 1.00 0.00 N ATOM 1748 CA PHE A 105 -2.589 6.912 6.129 1.00 0.00 C ATOM 1749 C PHE A 105 -1.679 6.203 5.122 1.00 0.00 C ATOM 1750 O PHE A 105 -0.780 5.474 5.493 1.00 0.00 O ATOM 1751 CB PHE A 105 -4.057 6.695 5.764 1.00 0.00 C ATOM 1752 CG PHE A 105 -4.523 5.383 6.345 1.00 0.00 C ATOM 1753 CD1 PHE A 105 -3.804 4.210 6.084 1.00 0.00 C ATOM 1754 CD2 PHE A 105 -5.664 5.339 7.153 1.00 0.00 C ATOM 1755 CE1 PHE A 105 -4.229 2.993 6.630 1.00 0.00 C ATOM 1756 CE2 PHE A 105 -6.090 4.122 7.698 1.00 0.00 C ATOM 1757 CZ PHE A 105 -5.371 2.950 7.437 1.00 0.00 C ATOM 0 H PHE A 105 -2.715 8.841 5.219 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.348 6.508 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -4.665 7.514 6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.178 6.690 4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.922 4.244 5.462 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.217 6.244 7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -3.676 2.088 6.428 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.973 4.088 8.319 1.00 0.00 H new ATOM 0 HZ PHE A 105 -5.698 2.011 7.859 1.00 0.00 H new ATOM 1767 N LEU A 106 -1.899 6.411 3.853 1.00 0.00 N ATOM 1768 CA LEU A 106 -1.039 5.746 2.834 1.00 0.00 C ATOM 1769 C LEU A 106 0.429 6.071 3.107 1.00 0.00 C ATOM 1770 O LEU A 106 1.294 5.226 3.002 1.00 0.00 O ATOM 1771 CB LEU A 106 -1.489 6.325 1.494 1.00 0.00 C ATOM 1772 CG LEU A 106 -2.579 5.434 0.893 1.00 0.00 C ATOM 1773 CD1 LEU A 106 -1.952 4.138 0.379 1.00 0.00 C ATOM 1774 CD2 LEU A 106 -3.622 5.103 1.965 1.00 0.00 C ATOM 0 H LEU A 106 -2.634 7.010 3.479 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.132 4.660 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.867 7.338 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.642 6.392 0.812 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.060 5.959 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.728 3.503 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.211 4.371 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.470 3.615 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.397 4.469 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.141 4.579 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.071 6.026 2.333 1.00 0.00 H new ATOM 1786 N MET A 107 0.714 7.290 3.474 1.00 0.00 N ATOM 1787 CA MET A 107 2.122 7.668 3.773 1.00 0.00 C ATOM 1788 C MET A 107 2.490 7.199 5.186 1.00 0.00 C ATOM 1789 O MET A 107 3.623 7.301 5.611 1.00 0.00 O ATOM 1790 CB MET A 107 2.150 9.194 3.687 1.00 0.00 C ATOM 1791 CG MET A 107 2.202 9.624 2.220 1.00 0.00 C ATOM 1792 SD MET A 107 3.702 10.594 1.928 1.00 0.00 S ATOM 1793 CE MET A 107 2.930 11.927 0.979 1.00 0.00 C ATOM 0 H MET A 107 0.031 8.041 3.580 1.00 0.00 H new ATOM 0 HA MET A 107 2.835 7.214 3.085 1.00 0.00 H new ATOM 0 HB2 MET A 107 1.265 9.612 4.168 1.00 0.00 H new ATOM 0 HB3 MET A 107 3.017 9.583 4.221 1.00 0.00 H new ATOM 0 HG2 MET A 107 2.191 8.747 1.572 1.00 0.00 H new ATOM 0 HG3 MET A 107 1.320 10.215 1.972 1.00 0.00 H new ATOM 0 HE1 MET A 107 3.425 12.019 0.012 1.00 0.00 H new ATOM 0 HE2 MET A 107 1.875 11.701 0.826 1.00 0.00 H new ATOM 0 HE3 MET A 107 3.024 12.865 1.526 1.00 0.00 H new ATOM 1803 N HIS A 108 1.531 6.686 5.913 1.00 0.00 N ATOM 1804 CA HIS A 108 1.809 6.208 7.298 1.00 0.00 C ATOM 1805 C HIS A 108 0.506 5.754 7.965 1.00 0.00 C ATOM 1806 O HIS A 108 -0.132 6.518 8.660 1.00 0.00 O ATOM 1807 CB HIS A 108 2.384 7.421 8.029 1.00 0.00 C ATOM 1808 CG HIS A 108 3.788 7.122 8.473 1.00 0.00 C ATOM 1809 ND1 HIS A 108 4.315 7.631 9.650 1.00 0.00 N ATOM 1810 CD2 HIS A 108 4.788 6.371 7.908 1.00 0.00 C ATOM 1811 CE1 HIS A 108 5.579 7.183 9.755 1.00 0.00 C ATOM 1812 NE2 HIS A 108 5.919 6.410 8.719 1.00 0.00 N ATOM 0 H HIS A 108 0.565 6.578 5.605 1.00 0.00 H new ATOM 0 HA HIS A 108 2.494 5.360 7.314 1.00 0.00 H new ATOM 0 HB2 HIS A 108 2.377 8.291 7.373 1.00 0.00 H new ATOM 0 HB3 HIS A 108 1.764 7.667 8.891 1.00 0.00 H new ATOM 0 HD2 HIS A 108 4.710 5.832 6.976 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.239 7.419 10.577 1.00 0.00 H new ATOM 0 HE2 HIS A 108 6.814 5.948 8.557 1.00 0.00 H new ATOM 1820 N PRO A 109 0.151 4.519 7.725 1.00 0.00 N ATOM 1821 CA PRO A 109 -1.094 3.959 8.309 1.00 0.00 C ATOM 1822 C PRO A 109 -0.937 3.762 9.821 1.00 0.00 C ATOM 1823 O PRO A 109 -1.160 4.669 10.597 1.00 0.00 O ATOM 1824 CB PRO A 109 -1.257 2.623 7.588 1.00 0.00 C ATOM 1825 CG PRO A 109 0.124 2.249 7.153 1.00 0.00 C ATOM 1826 CD PRO A 109 0.865 3.537 6.901 1.00 0.00 C ATOM 0 HA PRO A 109 -1.960 4.609 8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -1.681 1.867 8.249 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.929 2.714 6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.625 1.659 7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.093 1.638 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 109 1.913 3.459 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.845 3.810 5.846 1.00 0.00 H new ATOM 1834 N LYS A 110 -0.559 2.587 10.247 1.00 0.00 N ATOM 1835 CA LYS A 110 -0.395 2.347 11.710 1.00 0.00 C ATOM 1836 C LYS A 110 -1.734 2.531 12.429 1.00 0.00 C ATOM 1837 O LYS A 110 -1.713 2.796 13.620 1.00 0.00 O ATOM 1838 CB LYS A 110 0.613 3.399 12.174 1.00 0.00 C ATOM 1839 CG LYS A 110 1.815 2.708 12.818 1.00 0.00 C ATOM 1840 CD LYS A 110 3.090 3.491 12.493 1.00 0.00 C ATOM 1841 CE LYS A 110 3.361 3.424 10.989 1.00 0.00 C ATOM 1842 NZ LYS A 110 3.819 4.793 10.619 1.00 0.00 N ATOM 0 H LYS A 110 -0.357 1.786 9.648 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.055 1.334 11.927 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.939 4.004 11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.144 4.076 12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.678 2.648 13.898 1.00 0.00 H new ATOM 0 HG3 LYS A 110 1.900 1.685 12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.982 4.529 12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 110 3.934 3.077 13.044 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.121 2.678 10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.463 3.146 10.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.575 4.726 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.021 5.332 10.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.181 5.278 11.465 1.00 0.00 H new TER 1856 LYS A 110