USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 985 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 96 THR OG1 : rot 82:sc= 0.652 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= 0.632 F(o=-0.19,f=1.3) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -153:sc= 0.195 (180deg=-0.85) USER MOD Set 3.2: A 68 SER OG : rot -16:sc= -0.527 USER MOD Set 4.1: A 23 TYR OH : rot 49:sc= -0.67! USER MOD Set 4.2: A 112 HIS : no HD1:sc= -15.3! C(o=-16!,f=-17!) USER MOD Set 5.1: A 18 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 PHE N :NH3+ -154:sc= 1.35 (180deg=0.199) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0946 (180deg=-0.53) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.455 USER MOD Single : A 20 THR OG1 : rot 173:sc= -1.85 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -84:sc= 0.987 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.95 X(o=-1.9,f=-2.1!) USER MOD Single : A 30 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -3.54 K(o=-3.5,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc=-0.00307 (180deg=-0.357) USER MOD Single : A 44 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 151:sc= -7.08! (180deg=-11.3!) USER MOD Single : A 54 SER OG : rot 87:sc= 0.057 USER MOD Single : A 57 ASN : amide:sc= -3.27 X(o=-3.3,f=-3.3) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -163:sc= -0.927 (180deg=-1.29) USER MOD Single : A 73 THR OG1 : rot 61:sc= -5.31! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0067) USER MOD Single : A 79 SER OG : rot 71:sc= 1.17 USER MOD Single : A 82 THR OG1 : rot 99:sc= 0.953 USER MOD Single : A 83 SER OG : rot -177:sc= -2.02! USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 87 ASN : amide:sc= -5.33! C(o=-5.3!,f=-7.8!) USER MOD Single : A 98 THR OG1 : rot -114:sc= -2.79! USER MOD Single : A 103 SER OG : rot 150:sc= -0.316 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -170:sc= 0 (180deg=-0.0577) USER MOD Single : A 110 SER OG : rot 29:sc= 0.0771 USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 42:sc= 0.0922 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 24.164 -3.420 24.461 1.00 0.00 N ATOM 2 CA PHE A 1 23.027 -2.526 24.804 1.00 0.00 C ATOM 3 C PHE A 1 23.247 -1.845 26.151 1.00 0.00 C ATOM 4 O PHE A 1 23.994 -2.343 26.995 1.00 0.00 O ATOM 5 CB PHE A 1 21.745 -3.359 24.838 1.00 0.00 C ATOM 6 CG PHE A 1 21.818 -4.538 25.767 1.00 0.00 C ATOM 7 CD1 PHE A 1 22.479 -5.695 25.388 1.00 0.00 C ATOM 8 CD2 PHE A 1 21.227 -4.486 27.019 1.00 0.00 C ATOM 9 CE1 PHE A 1 22.548 -6.780 26.241 1.00 0.00 C ATOM 10 CE2 PHE A 1 21.293 -5.568 27.876 1.00 0.00 C ATOM 11 CZ PHE A 1 21.954 -6.716 27.486 1.00 0.00 C ATOM 0 H1 PHE A 1 24.229 -3.518 23.428 1.00 0.00 H new ATOM 0 H2 PHE A 1 25.048 -3.013 24.826 1.00 0.00 H new ATOM 0 H3 PHE A 1 24.011 -4.356 24.889 1.00 0.00 H new ATOM 0 HA PHE A 1 22.948 -1.743 24.049 1.00 0.00 H new ATOM 0 HB2 PHE A 1 20.915 -2.720 25.139 1.00 0.00 H new ATOM 0 HB3 PHE A 1 21.525 -3.714 23.831 1.00 0.00 H new ATOM 0 HD1 PHE A 1 22.945 -5.750 24.415 1.00 0.00 H new ATOM 0 HD2 PHE A 1 20.709 -3.590 27.328 1.00 0.00 H new ATOM 0 HE1 PHE A 1 23.066 -7.677 25.934 1.00 0.00 H new ATOM 0 HE2 PHE A 1 20.828 -5.516 28.849 1.00 0.00 H new ATOM 0 HZ PHE A 1 22.006 -7.563 28.154 1.00 0.00 H new ATOM 22 N ALA A 2 22.593 -0.705 26.347 1.00 0.00 N ATOM 23 CA ALA A 2 22.718 0.043 27.592 1.00 0.00 C ATOM 24 C ALA A 2 21.407 0.735 27.950 1.00 0.00 C ATOM 25 O ALA A 2 21.405 1.817 28.538 1.00 0.00 O ATOM 26 CB ALA A 2 23.842 1.061 27.485 1.00 0.00 C ATOM 0 H ALA A 2 21.971 -0.279 25.660 1.00 0.00 H new ATOM 0 HA ALA A 2 22.956 -0.662 28.389 1.00 0.00 H new ATOM 0 HB1 ALA A 2 23.924 1.612 28.422 1.00 0.00 H new ATOM 0 HB2 ALA A 2 24.781 0.546 27.284 1.00 0.00 H new ATOM 0 HB3 ALA A 2 23.628 1.756 26.673 1.00 0.00 H new ATOM 32 N LYS A 3 20.293 0.105 27.591 1.00 0.00 N ATOM 33 CA LYS A 3 18.975 0.660 27.874 1.00 0.00 C ATOM 34 C LYS A 3 18.798 2.014 27.196 1.00 0.00 C ATOM 35 O LYS A 3 19.371 3.015 27.627 1.00 0.00 O ATOM 36 CB LYS A 3 18.772 0.802 29.384 1.00 0.00 C ATOM 37 CG LYS A 3 19.107 -0.459 30.164 1.00 0.00 C ATOM 38 CD LYS A 3 18.976 -0.238 31.662 1.00 0.00 C ATOM 39 CE LYS A 3 20.043 0.712 32.181 1.00 0.00 C ATOM 40 NZ LYS A 3 21.416 0.230 31.865 1.00 0.00 N ATOM 0 H LYS A 3 20.277 -0.791 27.103 1.00 0.00 H new ATOM 0 HA LYS A 3 18.227 -0.026 27.477 1.00 0.00 H new ATOM 0 HB2 LYS A 3 19.391 1.621 29.750 1.00 0.00 H new ATOM 0 HB3 LYS A 3 17.735 1.075 29.579 1.00 0.00 H new ATOM 0 HG2 LYS A 3 18.443 -1.267 29.855 1.00 0.00 H new ATOM 0 HG3 LYS A 3 20.124 -0.774 29.929 1.00 0.00 H new ATOM 0 HD2 LYS A 3 17.988 0.165 31.886 1.00 0.00 H new ATOM 0 HD3 LYS A 3 19.055 -1.194 32.180 1.00 0.00 H new ATOM 0 HE2 LYS A 3 19.895 1.699 31.743 1.00 0.00 H new ATOM 0 HE3 LYS A 3 19.937 0.823 33.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 22.102 0.703 32.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 21.466 -0.798 32.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 21.641 0.448 30.873 1.00 0.00 H new ATOM 54 N LEU A 4 18.001 2.038 26.133 1.00 0.00 N ATOM 55 CA LEU A 4 17.748 3.271 25.395 1.00 0.00 C ATOM 56 C LEU A 4 16.254 3.472 25.168 1.00 0.00 C ATOM 57 O LEU A 4 15.522 2.520 24.897 1.00 0.00 O ATOM 58 CB LEU A 4 18.480 3.245 24.051 1.00 0.00 C ATOM 59 CG LEU A 4 19.958 3.635 24.112 1.00 0.00 C ATOM 60 CD1 LEU A 4 20.816 2.426 24.450 1.00 0.00 C ATOM 61 CD2 LEU A 4 20.399 4.253 22.794 1.00 0.00 C ATOM 0 H LEU A 4 17.519 1.219 25.763 1.00 0.00 H new ATOM 0 HA LEU A 4 18.123 4.104 25.990 1.00 0.00 H new ATOM 0 HB2 LEU A 4 18.401 2.242 23.631 1.00 0.00 H new ATOM 0 HB3 LEU A 4 17.970 3.920 23.363 1.00 0.00 H new ATOM 0 HG LEU A 4 20.087 4.377 24.900 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.864 2.723 24.489 1.00 0.00 H new ATOM 0 HD12 LEU A 4 20.516 2.026 25.419 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.684 1.661 23.685 1.00 0.00 H new ATOM 0 HD21 LEU A 4 21.453 4.525 22.854 1.00 0.00 H new ATOM 0 HD22 LEU A 4 20.255 3.533 21.988 1.00 0.00 H new ATOM 0 HD23 LEU A 4 19.805 5.145 22.594 1.00 0.00 H new ATOM 73 N VAL A 5 15.805 4.719 25.281 1.00 0.00 N ATOM 74 CA VAL A 5 14.397 5.045 25.089 1.00 0.00 C ATOM 75 C VAL A 5 13.967 4.792 23.649 1.00 0.00 C ATOM 76 O VAL A 5 14.611 5.256 22.707 1.00 0.00 O ATOM 77 CB VAL A 5 14.106 6.514 25.449 1.00 0.00 C ATOM 78 CG1 VAL A 5 14.113 6.706 26.959 1.00 0.00 C ATOM 79 CG2 VAL A 5 15.115 7.437 24.782 1.00 0.00 C ATOM 0 H VAL A 5 16.396 5.519 25.505 1.00 0.00 H new ATOM 0 HA VAL A 5 13.828 4.396 25.755 1.00 0.00 H new ATOM 0 HB VAL A 5 13.113 6.770 25.078 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.906 7.750 27.194 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.348 6.074 27.410 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.090 6.432 27.356 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.894 8.471 25.048 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.120 7.183 25.120 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.056 7.320 23.700 1.00 0.00 H new ATOM 89 N ARG A 6 12.875 4.054 23.484 1.00 0.00 N ATOM 90 CA ARG A 6 12.357 3.740 22.157 1.00 0.00 C ATOM 91 C ARG A 6 10.840 3.572 22.189 1.00 0.00 C ATOM 92 O ARG A 6 10.334 2.463 22.361 1.00 0.00 O ATOM 93 CB ARG A 6 13.012 2.464 21.621 1.00 0.00 C ATOM 94 CG ARG A 6 14.305 2.717 20.863 1.00 0.00 C ATOM 95 CD ARG A 6 15.521 2.490 21.747 1.00 0.00 C ATOM 96 NE ARG A 6 16.651 1.950 20.994 1.00 0.00 N ATOM 97 CZ ARG A 6 16.678 0.723 20.476 1.00 0.00 C ATOM 98 NH1 ARG A 6 15.640 -0.090 20.624 1.00 0.00 N ATOM 99 NH2 ARG A 6 17.745 0.312 19.805 1.00 0.00 N ATOM 0 H ARG A 6 12.331 3.662 24.253 1.00 0.00 H new ATOM 0 HA ARG A 6 12.598 4.571 21.494 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.215 1.792 22.455 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.309 1.953 20.963 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.355 2.058 19.996 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.313 3.740 20.486 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.812 3.432 22.212 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.261 1.803 22.553 1.00 0.00 H new ATOM 0 HE ARG A 6 17.466 2.547 20.857 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.816 0.223 21.137 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.666 -1.028 20.225 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.544 0.935 19.686 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.767 -0.627 19.408 1.00 0.00 H new ATOM 113 N PRO A 7 10.091 4.677 22.024 1.00 0.00 N ATOM 114 CA PRO A 7 8.626 4.645 22.034 1.00 0.00 C ATOM 115 C PRO A 7 8.051 3.948 20.802 1.00 0.00 C ATOM 116 O PRO A 7 8.131 4.472 19.692 1.00 0.00 O ATOM 117 CB PRO A 7 8.238 6.127 22.035 1.00 0.00 C ATOM 118 CG PRO A 7 9.397 6.822 21.409 1.00 0.00 C ATOM 119 CD PRO A 7 10.616 6.039 21.812 1.00 0.00 C ATOM 0 HA PRO A 7 8.238 4.086 22.886 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.322 6.297 21.469 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.059 6.489 23.048 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.294 6.853 20.324 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.465 7.854 21.752 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.381 6.059 21.036 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.070 6.440 22.718 1.00 0.00 H new ATOM 127 N PRO A 8 7.461 2.752 20.980 1.00 0.00 N ATOM 128 CA PRO A 8 6.875 1.990 19.871 1.00 0.00 C ATOM 129 C PRO A 8 5.612 2.645 19.323 1.00 0.00 C ATOM 130 O PRO A 8 4.994 3.477 19.987 1.00 0.00 O ATOM 131 CB PRO A 8 6.545 0.636 20.502 1.00 0.00 C ATOM 132 CG PRO A 8 6.364 0.929 21.951 1.00 0.00 C ATOM 133 CD PRO A 8 7.318 2.048 22.269 1.00 0.00 C ATOM 0 HA PRO A 8 7.553 1.923 19.020 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.642 0.207 20.069 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.348 -0.083 20.341 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.336 1.220 22.165 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.579 0.049 22.557 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.923 2.705 23.044 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.275 1.670 22.629 1.00 0.00 H new ATOM 141 N VAL A 9 5.233 2.262 18.108 1.00 0.00 N ATOM 142 CA VAL A 9 4.043 2.812 17.469 1.00 0.00 C ATOM 143 C VAL A 9 3.235 1.717 16.776 1.00 0.00 C ATOM 144 O VAL A 9 2.222 1.256 17.302 1.00 0.00 O ATOM 145 CB VAL A 9 4.394 3.912 16.442 1.00 0.00 C ATOM 146 CG1 VAL A 9 4.271 5.289 17.074 1.00 0.00 C ATOM 147 CG2 VAL A 9 5.793 3.705 15.873 1.00 0.00 C ATOM 0 H VAL A 9 5.733 1.573 17.546 1.00 0.00 H new ATOM 0 HA VAL A 9 3.443 3.258 18.263 1.00 0.00 H new ATOM 0 HB VAL A 9 3.684 3.844 15.618 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.522 6.052 16.337 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.248 5.441 17.419 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.955 5.364 17.920 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.013 4.493 15.153 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.523 3.738 16.682 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.844 2.736 15.377 1.00 0.00 H new ATOM 157 N GLN A 10 3.692 1.302 15.597 1.00 0.00 N ATOM 158 CA GLN A 10 3.013 0.258 14.833 1.00 0.00 C ATOM 159 C GLN A 10 1.671 0.752 14.301 1.00 0.00 C ATOM 160 O GLN A 10 1.480 0.874 13.091 1.00 0.00 O ATOM 161 CB GLN A 10 2.804 -0.988 15.696 1.00 0.00 C ATOM 162 CG GLN A 10 2.769 -2.281 14.898 1.00 0.00 C ATOM 163 CD GLN A 10 2.019 -3.388 15.613 1.00 0.00 C ATOM 164 OE1 GLN A 10 2.623 -4.329 16.129 1.00 0.00 O ATOM 165 NE2 GLN A 10 0.696 -3.280 15.648 1.00 0.00 N ATOM 0 H GLN A 10 4.530 1.673 15.149 1.00 0.00 H new ATOM 0 HA GLN A 10 3.647 0.001 13.984 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.604 -1.047 16.434 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.869 -0.885 16.247 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.300 -2.095 13.932 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.789 -2.608 14.699 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.238 -2.483 15.207 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.138 -3.994 16.116 1.00 0.00 H new ATOM 174 N ILE A 11 0.743 1.031 15.211 1.00 0.00 N ATOM 175 CA ILE A 11 -0.581 1.509 14.834 1.00 0.00 C ATOM 176 C ILE A 11 -0.820 2.924 15.354 1.00 0.00 C ATOM 177 O ILE A 11 -0.150 3.375 16.283 1.00 0.00 O ATOM 178 CB ILE A 11 -1.678 0.567 15.354 1.00 0.00 C ATOM 179 CG1 ILE A 11 -3.041 0.954 14.778 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.708 0.578 16.873 1.00 0.00 C ATOM 181 CD1 ILE A 11 -3.129 0.798 13.276 1.00 0.00 C ATOM 0 H ILE A 11 0.885 0.934 16.216 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.625 1.525 13.745 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.449 -0.446 15.024 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.811 0.340 15.245 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.257 1.990 15.041 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.490 -0.094 17.226 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.744 0.247 17.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.912 1.589 17.226 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.123 1.090 12.937 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.382 1.433 12.800 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.945 -0.242 13.007 1.00 0.00 H new ATOM 193 N TYR A 12 -1.752 3.633 14.724 1.00 0.00 N ATOM 194 CA TYR A 12 -2.046 5.013 15.097 1.00 0.00 C ATOM 195 C TYR A 12 -3.511 5.352 14.836 1.00 0.00 C ATOM 196 O TYR A 12 -4.287 5.549 15.769 1.00 0.00 O ATOM 197 CB TYR A 12 -1.130 5.964 14.309 1.00 0.00 C ATOM 198 CG TYR A 12 0.137 5.295 13.817 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.073 4.199 12.963 1.00 0.00 C ATOM 200 CD2 TYR A 12 1.389 5.727 14.232 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.212 3.557 12.537 1.00 0.00 C ATOM 202 CE2 TYR A 12 2.539 5.093 13.802 1.00 0.00 C ATOM 203 CZ TYR A 12 2.446 4.006 12.957 1.00 0.00 C ATOM 204 OH TYR A 12 3.589 3.366 12.534 1.00 0.00 O ATOM 0 H TYR A 12 -2.316 3.275 13.953 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.861 5.132 16.165 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.678 6.363 13.456 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.865 6.811 14.942 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.891 3.845 12.628 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.466 6.571 14.901 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.140 2.705 11.877 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.507 5.447 14.126 1.00 0.00 H new ATOM 0 HH TYR A 12 4.374 3.808 12.920 1.00 0.00 H new ATOM 214 N GLY A 13 -3.882 5.416 13.561 1.00 0.00 N ATOM 215 CA GLY A 13 -5.253 5.729 13.206 1.00 0.00 C ATOM 216 C GLY A 13 -5.390 6.231 11.783 1.00 0.00 C ATOM 217 O GLY A 13 -5.863 5.509 10.906 1.00 0.00 O ATOM 0 H GLY A 13 -3.259 5.257 12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.869 4.839 13.333 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.638 6.484 13.892 1.00 0.00 H new ATOM 221 N ILE A 14 -4.979 7.475 11.551 1.00 0.00 N ATOM 222 CA ILE A 14 -5.062 8.072 10.223 1.00 0.00 C ATOM 223 C ILE A 14 -4.358 7.206 9.184 1.00 0.00 C ATOM 224 O ILE A 14 -4.896 6.952 8.106 1.00 0.00 O ATOM 225 CB ILE A 14 -4.455 9.491 10.202 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.618 10.125 8.818 1.00 0.00 C ATOM 227 CG2 ILE A 14 -2.987 9.446 10.600 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.046 10.130 8.317 1.00 0.00 C ATOM 0 H ILE A 14 -4.586 8.088 12.265 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.121 8.139 9.973 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.990 10.106 10.925 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.250 11.151 8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.994 9.586 8.105 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.574 10.454 10.580 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.895 9.036 11.606 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.439 8.816 9.900 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.084 10.594 7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.412 9.105 8.250 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.672 10.694 9.008 1.00 0.00 H new ATOM 240 N GLU A 15 -3.155 6.751 9.515 1.00 0.00 N ATOM 241 CA GLU A 15 -2.387 5.909 8.607 1.00 0.00 C ATOM 242 C GLU A 15 -3.013 4.523 8.508 1.00 0.00 C ATOM 243 O GLU A 15 -2.989 3.894 7.452 1.00 0.00 O ATOM 244 CB GLU A 15 -0.934 5.805 9.071 1.00 0.00 C ATOM 245 CG GLU A 15 0.014 6.707 8.298 1.00 0.00 C ATOM 246 CD GLU A 15 1.335 6.032 7.984 1.00 0.00 C ATOM 247 OE1 GLU A 15 2.006 5.569 8.932 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.699 5.965 6.792 1.00 0.00 O ATOM 0 H GLU A 15 -2.692 6.950 10.402 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.401 6.368 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.880 6.057 10.130 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.602 4.772 8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.462 7.016 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.201 7.612 8.876 1.00 0.00 H new ATOM 255 N GLY A 16 -3.584 4.058 9.615 1.00 0.00 N ATOM 256 CA GLY A 16 -4.220 2.756 9.626 1.00 0.00 C ATOM 257 C GLY A 16 -5.543 2.769 8.889 1.00 0.00 C ATOM 258 O GLY A 16 -5.960 1.755 8.330 1.00 0.00 O ATOM 0 H GLY A 16 -3.617 4.560 10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.556 2.023 9.167 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.381 2.439 10.656 1.00 0.00 H new ATOM 262 N ARG A 17 -6.200 3.925 8.882 1.00 0.00 N ATOM 263 CA ARG A 17 -7.478 4.071 8.201 1.00 0.00 C ATOM 264 C ARG A 17 -7.286 4.031 6.690 1.00 0.00 C ATOM 265 O ARG A 17 -8.192 3.652 5.951 1.00 0.00 O ATOM 266 CB ARG A 17 -8.156 5.381 8.609 1.00 0.00 C ATOM 267 CG ARG A 17 -9.057 5.246 9.825 1.00 0.00 C ATOM 268 CD ARG A 17 -10.263 6.165 9.728 1.00 0.00 C ATOM 269 NE ARG A 17 -10.963 6.287 11.005 1.00 0.00 N ATOM 270 CZ ARG A 17 -11.876 7.219 11.265 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.202 8.115 10.340 1.00 0.00 N ATOM 272 NH2 ARG A 17 -12.465 7.258 12.452 1.00 0.00 N ATOM 0 H ARG A 17 -5.867 4.773 9.341 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.118 3.239 8.494 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.390 6.128 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.745 5.752 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.392 4.213 9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.491 5.480 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.941 7.152 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.950 5.783 8.973 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.738 5.618 11.741 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.752 8.091 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.903 8.827 10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.218 6.573 13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.165 7.973 12.651 1.00 0.00 H new ATOM 286 N TYR A 18 -6.095 4.413 6.234 1.00 0.00 N ATOM 287 CA TYR A 18 -5.785 4.406 4.809 1.00 0.00 C ATOM 288 C TYR A 18 -6.054 3.032 4.219 1.00 0.00 C ATOM 289 O TYR A 18 -6.752 2.896 3.215 1.00 0.00 O ATOM 290 CB TYR A 18 -4.317 4.783 4.586 1.00 0.00 C ATOM 291 CG TYR A 18 -4.116 6.179 4.048 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.583 7.283 4.745 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.453 6.389 2.845 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.397 8.562 4.259 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.263 7.665 2.352 1.00 0.00 C ATOM 296 CZ TYR A 18 -3.736 8.749 3.062 1.00 0.00 C ATOM 297 OH TYR A 18 -3.549 10.022 2.575 1.00 0.00 O ATOM 0 H TYR A 18 -5.331 4.730 6.831 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.422 5.138 4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.781 4.688 5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.871 4.070 3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.100 7.140 5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.081 5.542 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.767 9.412 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.747 7.813 1.415 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.066 9.979 1.724 1.00 0.00 H new ATOM 307 N ALA A 19 -5.496 2.016 4.861 1.00 0.00 N ATOM 308 CA ALA A 19 -5.673 0.647 4.414 1.00 0.00 C ATOM 309 C ALA A 19 -7.115 0.206 4.601 1.00 0.00 C ATOM 310 O ALA A 19 -7.683 -0.458 3.739 1.00 0.00 O ATOM 311 CB ALA A 19 -4.727 -0.279 5.164 1.00 0.00 C ATOM 0 H ALA A 19 -4.916 2.117 5.694 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.437 0.596 3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.870 -1.303 4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.697 0.025 4.979 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.935 -0.224 6.233 1.00 0.00 H new ATOM 317 N THR A 20 -7.706 0.584 5.726 1.00 0.00 N ATOM 318 CA THR A 20 -9.086 0.220 6.004 1.00 0.00 C ATOM 319 C THR A 20 -10.041 0.954 5.075 1.00 0.00 C ATOM 320 O THR A 20 -11.151 0.486 4.824 1.00 0.00 O ATOM 321 CB THR A 20 -9.443 0.493 7.465 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.338 1.043 8.161 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.877 -0.755 8.198 1.00 0.00 C ATOM 0 H THR A 20 -7.255 1.138 6.454 1.00 0.00 H new ATOM 0 HA THR A 20 -9.189 -0.850 5.823 1.00 0.00 H new ATOM 0 HB THR A 20 -10.274 1.198 7.442 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.620 1.314 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.119 -0.505 9.231 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.757 -1.176 7.711 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.069 -1.486 8.182 1.00 0.00 H new ATOM 331 N ALA A 21 -9.609 2.097 4.552 1.00 0.00 N ATOM 332 CA ALA A 21 -10.446 2.858 3.640 1.00 0.00 C ATOM 333 C ALA A 21 -10.194 2.444 2.197 1.00 0.00 C ATOM 334 O ALA A 21 -10.786 2.995 1.269 1.00 0.00 O ATOM 335 CB ALA A 21 -10.223 4.352 3.823 1.00 0.00 C ATOM 0 H ALA A 21 -8.696 2.510 4.742 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.488 2.640 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.860 4.902 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.471 4.634 4.846 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.178 4.591 3.624 1.00 0.00 H new ATOM 341 N LEU A 22 -9.335 1.447 2.017 1.00 0.00 N ATOM 342 CA LEU A 22 -9.033 0.931 0.691 1.00 0.00 C ATOM 343 C LEU A 22 -9.390 -0.533 0.656 1.00 0.00 C ATOM 344 O LEU A 22 -9.967 -1.030 -0.311 1.00 0.00 O ATOM 345 CB LEU A 22 -7.557 1.138 0.343 1.00 0.00 C ATOM 346 CG LEU A 22 -7.132 0.625 -1.035 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.951 -0.885 -1.010 1.00 0.00 C ATOM 348 CD2 LEU A 22 -8.149 1.024 -2.096 1.00 0.00 C ATOM 0 H LEU A 22 -8.836 0.981 2.775 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.618 1.472 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.333 2.203 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.949 0.643 1.100 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.176 1.083 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.649 -1.232 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.183 -1.147 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.892 -1.360 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.827 0.649 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.121 0.598 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.228 2.110 -2.134 1.00 0.00 H new ATOM 360 N TYR A 23 -9.080 -1.209 1.746 1.00 0.00 N ATOM 361 CA TYR A 23 -9.406 -2.601 1.880 1.00 0.00 C ATOM 362 C TYR A 23 -10.884 -2.731 2.246 1.00 0.00 C ATOM 363 O TYR A 23 -11.482 -3.784 2.051 1.00 0.00 O ATOM 364 CB TYR A 23 -8.497 -3.262 2.924 1.00 0.00 C ATOM 365 CG TYR A 23 -9.226 -3.837 4.112 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.023 -4.956 3.967 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.121 -3.261 5.367 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.706 -5.491 5.035 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.796 -3.783 6.444 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.593 -4.899 6.277 1.00 0.00 C ATOM 371 OH TYR A 23 -11.268 -5.423 7.355 1.00 0.00 O ATOM 0 H TYR A 23 -8.600 -0.807 2.551 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.237 -3.119 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.930 -4.058 2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.776 -2.525 3.278 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.112 -5.420 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.499 -2.388 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.325 -6.366 4.903 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.704 -3.323 7.417 1.00 0.00 H new ATOM 0 HH TYR A 23 -11.115 -6.390 7.398 1.00 0.00 H new ATOM 381 N SER A 24 -11.485 -1.639 2.756 1.00 0.00 N ATOM 382 CA SER A 24 -12.901 -1.658 3.111 1.00 0.00 C ATOM 383 C SER A 24 -13.702 -2.234 1.952 1.00 0.00 C ATOM 384 O SER A 24 -14.607 -3.046 2.144 1.00 0.00 O ATOM 385 CB SER A 24 -13.390 -0.249 3.454 1.00 0.00 C ATOM 386 OG SER A 24 -14.760 -0.083 3.129 1.00 0.00 O ATOM 0 H SER A 24 -11.014 -0.750 2.926 1.00 0.00 H new ATOM 0 HA SER A 24 -13.041 -2.285 3.992 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.241 -0.059 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.795 0.486 2.913 1.00 0.00 H new ATOM 0 HG SER A 24 -15.043 0.826 3.361 1.00 0.00 H new ATOM 392 N ALA A 25 -13.324 -1.835 0.742 1.00 0.00 N ATOM 393 CA ALA A 25 -13.964 -2.338 -0.461 1.00 0.00 C ATOM 394 C ALA A 25 -13.485 -3.755 -0.716 1.00 0.00 C ATOM 395 O ALA A 25 -14.247 -4.618 -1.153 1.00 0.00 O ATOM 396 CB ALA A 25 -13.656 -1.441 -1.650 1.00 0.00 C ATOM 0 H ALA A 25 -12.576 -1.163 0.572 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.045 -2.340 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.145 -1.836 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.023 -0.434 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.579 -1.409 -1.812 1.00 0.00 H new ATOM 402 N ALA A 26 -12.212 -3.989 -0.414 1.00 0.00 N ATOM 403 CA ALA A 26 -11.616 -5.307 -0.582 1.00 0.00 C ATOM 404 C ALA A 26 -12.267 -6.321 0.354 1.00 0.00 C ATOM 405 O ALA A 26 -12.357 -7.505 0.035 1.00 0.00 O ATOM 406 CB ALA A 26 -10.119 -5.247 -0.328 1.00 0.00 C ATOM 0 H ALA A 26 -11.574 -3.281 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.787 -5.628 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.688 -6.240 -0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.658 -4.556 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.936 -4.902 0.690 1.00 0.00 H new ATOM 412 N SER A 27 -12.719 -5.845 1.511 1.00 0.00 N ATOM 413 CA SER A 27 -13.363 -6.703 2.497 1.00 0.00 C ATOM 414 C SER A 27 -14.656 -7.282 1.933 1.00 0.00 C ATOM 415 O SER A 27 -14.901 -8.485 2.024 1.00 0.00 O ATOM 416 CB SER A 27 -13.657 -5.915 3.776 1.00 0.00 C ATOM 417 OG SER A 27 -14.914 -5.264 3.702 1.00 0.00 O ATOM 0 H SER A 27 -12.650 -4.866 1.788 1.00 0.00 H new ATOM 0 HA SER A 27 -12.686 -7.523 2.736 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.644 -6.589 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.872 -5.177 3.940 1.00 0.00 H new ATOM 0 HG SER A 27 -14.814 -4.412 3.229 1.00 0.00 H new ATOM 423 N LYS A 28 -15.477 -6.415 1.342 1.00 0.00 N ATOM 424 CA LYS A 28 -16.741 -6.842 0.752 1.00 0.00 C ATOM 425 C LYS A 28 -16.508 -7.977 -0.236 1.00 0.00 C ATOM 426 O LYS A 28 -17.343 -8.869 -0.387 1.00 0.00 O ATOM 427 CB LYS A 28 -17.424 -5.667 0.051 1.00 0.00 C ATOM 428 CG LYS A 28 -18.793 -6.010 -0.515 1.00 0.00 C ATOM 429 CD LYS A 28 -19.074 -5.241 -1.797 1.00 0.00 C ATOM 430 CE LYS A 28 -20.541 -4.859 -1.906 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.757 -3.765 -2.893 1.00 0.00 N ATOM 0 H LYS A 28 -15.289 -5.416 1.260 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.391 -7.200 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.528 -4.843 0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.783 -5.315 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.849 -7.081 -0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.561 -5.781 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.459 -4.341 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.790 -5.848 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.123 -5.733 -2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.908 -4.545 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.770 -3.533 -2.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.222 -2.923 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.430 -4.074 -3.831 1.00 0.00 H new ATOM 445 N GLN A 29 -15.357 -7.939 -0.899 1.00 0.00 N ATOM 446 CA GLN A 29 -14.995 -8.967 -1.863 1.00 0.00 C ATOM 447 C GLN A 29 -14.302 -10.129 -1.162 1.00 0.00 C ATOM 448 O GLN A 29 -14.533 -11.291 -1.496 1.00 0.00 O ATOM 449 CB GLN A 29 -14.082 -8.386 -2.945 1.00 0.00 C ATOM 450 CG GLN A 29 -14.750 -7.319 -3.797 1.00 0.00 C ATOM 451 CD GLN A 29 -13.869 -6.102 -4.004 1.00 0.00 C ATOM 452 OE1 GLN A 29 -14.226 -4.989 -3.616 1.00 0.00 O ATOM 453 NE2 GLN A 29 -12.711 -6.308 -4.621 1.00 0.00 N ATOM 0 H GLN A 29 -14.658 -7.205 -0.785 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.906 -9.334 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.197 -7.960 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.740 -9.194 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.010 -7.744 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.682 -7.012 -3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.455 -7.247 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.077 -5.527 -4.790 1.00 0.00 H new ATOM 462 N ASN A 30 -13.447 -9.795 -0.190 1.00 0.00 N ATOM 463 CA ASN A 30 -12.696 -10.790 0.581 1.00 0.00 C ATOM 464 C ASN A 30 -11.325 -11.001 -0.037 1.00 0.00 C ATOM 465 O ASN A 30 -10.767 -12.096 0.013 1.00 0.00 O ATOM 466 CB ASN A 30 -13.446 -12.124 0.670 1.00 0.00 C ATOM 467 CG ASN A 30 -12.993 -12.963 1.849 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.062 -12.528 2.999 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.529 -14.175 1.569 1.00 0.00 N ATOM 0 H ASN A 30 -13.257 -8.831 0.083 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.581 -10.407 1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.516 -11.932 0.754 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.294 -12.685 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.212 -14.786 2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.490 -14.495 0.601 1.00 0.00 H new ATOM 476 N LYS A 31 -10.791 -9.937 -0.622 1.00 0.00 N ATOM 477 CA LYS A 31 -9.484 -9.991 -1.254 1.00 0.00 C ATOM 478 C LYS A 31 -8.383 -9.600 -0.274 1.00 0.00 C ATOM 479 O LYS A 31 -7.250 -9.361 -0.681 1.00 0.00 O ATOM 480 CB LYS A 31 -9.448 -9.074 -2.477 1.00 0.00 C ATOM 481 CG LYS A 31 -9.775 -9.787 -3.780 1.00 0.00 C ATOM 482 CD LYS A 31 -11.238 -9.618 -4.155 1.00 0.00 C ATOM 483 CE LYS A 31 -11.820 -10.904 -4.721 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.320 -11.184 -6.096 1.00 0.00 N ATOM 0 H LYS A 31 -11.246 -9.025 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.307 -11.018 -1.573 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.156 -8.259 -2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.458 -8.626 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.146 -9.394 -4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.543 -10.848 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.807 -9.316 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.337 -8.819 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.565 -11.737 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.908 -10.833 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.741 -12.069 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.585 -10.402 -6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.284 -11.277 -6.077 1.00 0.00 H new ATOM 498 N LEU A 32 -8.712 -9.541 1.021 1.00 0.00 N ATOM 499 CA LEU A 32 -7.737 -9.188 2.042 1.00 0.00 C ATOM 500 C LEU A 32 -6.424 -9.934 1.829 1.00 0.00 C ATOM 501 O LEU A 32 -5.355 -9.440 2.182 1.00 0.00 O ATOM 502 CB LEU A 32 -8.316 -9.498 3.417 1.00 0.00 C ATOM 503 CG LEU A 32 -9.269 -8.431 3.958 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.493 -7.420 4.788 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.018 -7.741 2.824 1.00 0.00 C ATOM 0 H LEU A 32 -9.647 -9.734 1.380 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.521 -8.122 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.846 -10.449 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.495 -9.626 4.123 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.009 -8.915 4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.177 -6.662 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.010 -7.928 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.735 -6.944 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.689 -6.987 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.303 -7.263 2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.598 -8.478 2.270 1.00 0.00 H new ATOM 517 N GLU A 33 -6.510 -11.118 1.233 1.00 0.00 N ATOM 518 CA GLU A 33 -5.320 -11.914 0.956 1.00 0.00 C ATOM 519 C GLU A 33 -4.542 -11.307 -0.206 1.00 0.00 C ATOM 520 O GLU A 33 -3.312 -11.353 -0.239 1.00 0.00 O ATOM 521 CB GLU A 33 -5.706 -13.359 0.636 1.00 0.00 C ATOM 522 CG GLU A 33 -4.705 -14.384 1.144 1.00 0.00 C ATOM 523 CD GLU A 33 -4.968 -14.791 2.581 1.00 0.00 C ATOM 524 OE1 GLU A 33 -4.978 -13.903 3.458 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.163 -16.000 2.828 1.00 0.00 O ATOM 0 H GLU A 33 -7.386 -11.546 0.934 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.687 -11.913 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.682 -13.570 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.809 -13.468 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.740 -15.268 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.698 -13.974 1.064 1.00 0.00 H new ATOM 532 N GLN A 34 -5.274 -10.724 -1.151 1.00 0.00 N ATOM 533 CA GLN A 34 -4.671 -10.088 -2.316 1.00 0.00 C ATOM 534 C GLN A 34 -4.328 -8.627 -2.025 1.00 0.00 C ATOM 535 O GLN A 34 -3.650 -7.973 -2.815 1.00 0.00 O ATOM 536 CB GLN A 34 -5.616 -10.175 -3.517 1.00 0.00 C ATOM 537 CG GLN A 34 -5.178 -11.190 -4.562 1.00 0.00 C ATOM 538 CD GLN A 34 -4.796 -10.544 -5.880 1.00 0.00 C ATOM 539 OE1 GLN A 34 -5.514 -10.663 -6.874 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.660 -9.856 -5.896 1.00 0.00 N ATOM 0 H GLN A 34 -6.293 -10.679 -1.131 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.748 -10.618 -2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.614 -10.435 -3.165 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.688 -9.193 -3.984 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.329 -11.756 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.985 -11.902 -4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.096 -9.783 -5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.352 -9.400 -6.755 1.00 0.00 H new ATOM 549 N VAL A 35 -4.798 -8.118 -0.888 1.00 0.00 N ATOM 550 CA VAL A 35 -4.533 -6.735 -0.507 1.00 0.00 C ATOM 551 C VAL A 35 -3.576 -6.667 0.676 1.00 0.00 C ATOM 552 O VAL A 35 -2.848 -5.692 0.842 1.00 0.00 O ATOM 553 CB VAL A 35 -5.825 -5.969 -0.131 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.762 -4.542 -0.646 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.077 -6.678 -0.649 1.00 0.00 C ATOM 0 H VAL A 35 -5.362 -8.641 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.086 -6.263 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.893 -5.947 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.677 -4.016 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.906 -4.033 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.658 -4.551 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.962 -6.109 -0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.029 -6.754 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.134 -7.677 -0.217 1.00 0.00 H new ATOM 565 N GLU A 36 -3.580 -7.713 1.487 1.00 0.00 N ATOM 566 CA GLU A 36 -2.708 -7.780 2.652 1.00 0.00 C ATOM 567 C GLU A 36 -1.368 -8.364 2.252 1.00 0.00 C ATOM 568 O GLU A 36 -0.318 -7.923 2.719 1.00 0.00 O ATOM 569 CB GLU A 36 -3.341 -8.628 3.757 1.00 0.00 C ATOM 570 CG GLU A 36 -2.659 -8.476 5.106 1.00 0.00 C ATOM 571 CD GLU A 36 -3.102 -9.528 6.106 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.991 -10.730 5.789 1.00 0.00 O ATOM 573 OE2 GLU A 36 -3.561 -9.147 7.203 1.00 0.00 O ATOM 0 H GLU A 36 -4.178 -8.529 1.361 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.563 -6.771 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.391 -8.354 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.312 -9.677 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.579 -8.539 4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.873 -7.485 5.508 1.00 0.00 H new ATOM 580 N LYS A 37 -1.413 -9.348 1.364 1.00 0.00 N ATOM 581 CA LYS A 37 -0.202 -9.977 0.879 1.00 0.00 C ATOM 582 C LYS A 37 0.563 -8.995 0.016 1.00 0.00 C ATOM 583 O LYS A 37 1.792 -8.942 0.064 1.00 0.00 O ATOM 584 CB LYS A 37 -0.525 -11.247 0.089 1.00 0.00 C ATOM 585 CG LYS A 37 0.687 -12.126 -0.171 1.00 0.00 C ATOM 586 CD LYS A 37 0.571 -12.854 -1.501 1.00 0.00 C ATOM 587 CE LYS A 37 1.178 -14.245 -1.429 1.00 0.00 C ATOM 588 NZ LYS A 37 2.518 -14.234 -0.779 1.00 0.00 N ATOM 0 H LYS A 37 -2.275 -9.724 0.968 1.00 0.00 H new ATOM 0 HA LYS A 37 0.414 -10.264 1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.272 -11.824 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.972 -10.968 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.589 -11.514 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.791 -12.852 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.478 -12.928 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.072 -12.277 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.511 -14.904 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.266 -14.655 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.051 -15.079 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.037 -13.381 -1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.402 -14.234 0.255 1.00 0.00 H new ATOM 602 N GLU A 38 -0.166 -8.192 -0.756 1.00 0.00 N ATOM 603 CA GLU A 38 0.474 -7.198 -1.587 1.00 0.00 C ATOM 604 C GLU A 38 0.986 -6.064 -0.711 1.00 0.00 C ATOM 605 O GLU A 38 2.097 -5.572 -0.903 1.00 0.00 O ATOM 606 CB GLU A 38 -0.501 -6.679 -2.637 1.00 0.00 C ATOM 607 CG GLU A 38 -0.306 -7.315 -4.006 1.00 0.00 C ATOM 608 CD GLU A 38 -1.576 -7.936 -4.551 1.00 0.00 C ATOM 609 OE1 GLU A 38 -1.872 -9.095 -4.191 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.275 -7.264 -5.338 1.00 0.00 O ATOM 0 H GLU A 38 -1.184 -8.215 -0.818 1.00 0.00 H new ATOM 0 HA GLU A 38 1.318 -7.648 -2.109 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.521 -6.865 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.387 -5.599 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.052 -6.559 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.468 -8.080 -3.939 1.00 0.00 H new ATOM 617 N LEU A 39 0.179 -5.668 0.270 1.00 0.00 N ATOM 618 CA LEU A 39 0.564 -4.603 1.190 1.00 0.00 C ATOM 619 C LEU A 39 1.950 -4.870 1.765 1.00 0.00 C ATOM 620 O LEU A 39 2.744 -3.946 1.943 1.00 0.00 O ATOM 621 CB LEU A 39 -0.460 -4.471 2.322 1.00 0.00 C ATOM 622 CG LEU A 39 -1.168 -3.116 2.398 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.392 -3.099 1.498 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.556 -2.799 3.834 1.00 0.00 C ATOM 0 H LEU A 39 -0.743 -6.067 0.447 1.00 0.00 H new ATOM 0 HA LEU A 39 0.590 -3.666 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.212 -5.251 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.044 -4.655 3.271 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.478 -2.348 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.881 -2.127 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.088 -3.280 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.087 -3.877 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.058 -1.832 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.228 -3.571 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.660 -2.766 4.454 1.00 0.00 H new ATOM 636 N LEU A 40 2.243 -6.139 2.041 1.00 0.00 N ATOM 637 CA LEU A 40 3.547 -6.509 2.579 1.00 0.00 C ATOM 638 C LEU A 40 4.652 -6.152 1.589 1.00 0.00 C ATOM 639 O LEU A 40 5.817 -6.024 1.964 1.00 0.00 O ATOM 640 CB LEU A 40 3.589 -8.004 2.899 1.00 0.00 C ATOM 641 CG LEU A 40 4.410 -8.380 4.134 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.546 -8.329 5.385 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.026 -9.760 3.964 1.00 0.00 C ATOM 0 H LEU A 40 1.602 -6.920 1.902 1.00 0.00 H new ATOM 0 HA LEU A 40 3.710 -5.950 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.568 -8.359 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.995 -8.533 2.037 1.00 0.00 H new ATOM 0 HG LEU A 40 5.217 -7.656 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.147 -8.599 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.153 -7.321 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.718 -9.031 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.606 -10.011 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.235 -10.497 3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.679 -9.762 3.091 1.00 0.00 H new ATOM 655 N ARG A 41 4.274 -5.989 0.324 1.00 0.00 N ATOM 656 CA ARG A 41 5.224 -5.640 -0.722 1.00 0.00 C ATOM 657 C ARG A 41 5.649 -4.181 -0.600 1.00 0.00 C ATOM 658 O ARG A 41 6.840 -3.869 -0.618 1.00 0.00 O ATOM 659 CB ARG A 41 4.616 -5.895 -2.101 1.00 0.00 C ATOM 660 CG ARG A 41 3.920 -7.241 -2.224 1.00 0.00 C ATOM 661 CD ARG A 41 4.854 -8.300 -2.790 1.00 0.00 C ATOM 662 NE ARG A 41 4.636 -9.607 -2.174 1.00 0.00 N ATOM 663 CZ ARG A 41 5.479 -10.631 -2.291 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.596 -10.503 -2.997 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.205 -11.785 -1.698 1.00 0.00 N ATOM 0 H ARG A 41 3.312 -6.094 0.000 1.00 0.00 H new ATOM 0 HA ARG A 41 6.106 -6.269 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.900 -5.104 -2.324 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.403 -5.833 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.560 -7.557 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.046 -7.143 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.704 -8.377 -3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.888 -7.993 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 41 3.789 -9.743 -1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.812 -9.617 -3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.238 -11.291 -3.083 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.349 -11.888 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.850 -12.570 -1.787 1.00 0.00 H new ATOM 679 N VAL A 42 4.670 -3.291 -0.471 1.00 0.00 N ATOM 680 CA VAL A 42 4.947 -1.866 -0.342 1.00 0.00 C ATOM 681 C VAL A 42 5.867 -1.597 0.847 1.00 0.00 C ATOM 682 O VAL A 42 6.649 -0.646 0.837 1.00 0.00 O ATOM 683 CB VAL A 42 3.650 -1.046 -0.177 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.954 0.445 -0.138 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.671 -1.362 -1.299 1.00 0.00 C ATOM 0 H VAL A 42 3.679 -3.532 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 42 5.441 -1.554 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 42 3.190 -1.325 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.025 1.003 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.614 0.660 0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.441 0.741 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.763 -0.774 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.125 -1.115 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.423 -2.423 -1.277 1.00 0.00 H new ATOM 695 N GLY A 43 5.775 -2.446 1.866 1.00 0.00 N ATOM 696 CA GLY A 43 6.612 -2.283 3.040 1.00 0.00 C ATOM 697 C GLY A 43 8.055 -2.655 2.771 1.00 0.00 C ATOM 698 O GLY A 43 8.974 -1.961 3.205 1.00 0.00 O ATOM 0 H GLY A 43 5.138 -3.242 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.563 -1.248 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.224 -2.902 3.849 1.00 0.00 H new ATOM 702 N GLN A 44 8.255 -3.751 2.046 1.00 0.00 N ATOM 703 CA GLN A 44 9.597 -4.210 1.712 1.00 0.00 C ATOM 704 C GLN A 44 10.286 -3.222 0.776 1.00 0.00 C ATOM 705 O GLN A 44 11.508 -3.083 0.794 1.00 0.00 O ATOM 706 CB GLN A 44 9.539 -5.593 1.061 1.00 0.00 C ATOM 707 CG GLN A 44 9.641 -6.738 2.055 1.00 0.00 C ATOM 708 CD GLN A 44 8.302 -7.394 2.327 1.00 0.00 C ATOM 709 OE1 GLN A 44 7.556 -7.719 1.402 1.00 0.00 O ATOM 710 NE2 GLN A 44 7.990 -7.595 3.602 1.00 0.00 N ATOM 0 H GLN A 44 7.505 -4.337 1.679 1.00 0.00 H new ATOM 0 HA GLN A 44 10.174 -4.277 2.634 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.605 -5.686 0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.349 -5.679 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.337 -7.485 1.673 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.056 -6.365 2.992 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.638 -7.310 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.103 -8.034 3.847 1.00 0.00 H new ATOM 719 N ILE A 45 9.489 -2.535 -0.037 1.00 0.00 N ATOM 720 CA ILE A 45 10.019 -1.556 -0.978 1.00 0.00 C ATOM 721 C ILE A 45 10.746 -0.432 -0.245 1.00 0.00 C ATOM 722 O ILE A 45 11.766 0.065 -0.716 1.00 0.00 O ATOM 723 CB ILE A 45 8.895 -0.960 -1.855 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.267 -2.055 -2.720 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.429 0.169 -2.729 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.896 -1.696 -3.249 1.00 0.00 C ATOM 0 H ILE A 45 8.475 -2.639 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 45 10.728 -2.076 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 45 8.129 -0.546 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.928 -2.266 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.193 -2.971 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.619 0.572 -3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.835 0.958 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.215 -0.215 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.512 -2.518 -3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.220 -1.513 -2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.966 -0.797 -3.862 1.00 0.00 H new ATOM 738 N LEU A 46 10.221 -0.037 0.910 1.00 0.00 N ATOM 739 CA LEU A 46 10.840 1.027 1.692 1.00 0.00 C ATOM 740 C LEU A 46 12.089 0.518 2.402 1.00 0.00 C ATOM 741 O LEU A 46 13.038 1.270 2.625 1.00 0.00 O ATOM 742 CB LEU A 46 9.848 1.603 2.702 1.00 0.00 C ATOM 743 CG LEU A 46 9.628 3.112 2.586 1.00 0.00 C ATOM 744 CD1 LEU A 46 9.215 3.483 1.168 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.588 3.582 3.594 1.00 0.00 C ATOM 0 H LEU A 46 9.376 -0.433 1.322 1.00 0.00 H new ATOM 0 HA LEU A 46 11.134 1.823 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.890 1.098 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.201 1.376 3.708 1.00 0.00 H new ATOM 0 HG LEU A 46 10.568 3.616 2.810 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.063 4.560 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.998 3.185 0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.288 2.970 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.446 4.658 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.643 3.073 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.930 3.352 4.603 1.00 0.00 H new ATOM 757 N LYS A 47 12.090 -0.766 2.741 1.00 0.00 N ATOM 758 CA LYS A 47 13.232 -1.374 3.408 1.00 0.00 C ATOM 759 C LYS A 47 14.381 -1.554 2.421 1.00 0.00 C ATOM 760 O LYS A 47 15.542 -1.675 2.815 1.00 0.00 O ATOM 761 CB LYS A 47 12.842 -2.725 4.011 1.00 0.00 C ATOM 762 CG LYS A 47 13.612 -3.071 5.275 1.00 0.00 C ATOM 763 CD LYS A 47 14.846 -3.900 4.965 1.00 0.00 C ATOM 764 CE LYS A 47 14.517 -5.383 4.884 1.00 0.00 C ATOM 765 NZ LYS A 47 15.631 -6.228 5.395 1.00 0.00 N ATOM 0 H LYS A 47 11.314 -1.404 2.565 1.00 0.00 H new ATOM 0 HA LYS A 47 13.556 -0.714 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.775 -2.719 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.008 -3.506 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.907 -2.154 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.965 -3.621 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.279 -3.570 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 47 15.599 -3.735 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.614 -5.586 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.303 -5.651 3.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.367 -7.231 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.487 -6.053 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.819 -5.990 6.390 1.00 0.00 H new ATOM 779 N GLU A 48 14.045 -1.567 1.133 1.00 0.00 N ATOM 780 CA GLU A 48 15.038 -1.726 0.080 1.00 0.00 C ATOM 781 C GLU A 48 15.925 -0.486 -0.023 1.00 0.00 C ATOM 782 O GLU A 48 15.457 0.586 -0.407 1.00 0.00 O ATOM 783 CB GLU A 48 14.343 -1.980 -1.258 1.00 0.00 C ATOM 784 CG GLU A 48 14.135 -3.453 -1.567 1.00 0.00 C ATOM 785 CD GLU A 48 13.293 -3.674 -2.808 1.00 0.00 C ATOM 786 OE1 GLU A 48 13.738 -3.281 -3.906 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.186 -4.242 -2.682 1.00 0.00 O ATOM 0 H GLU A 48 13.088 -1.469 0.795 1.00 0.00 H new ATOM 0 HA GLU A 48 15.668 -2.580 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.376 -1.478 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.934 -1.530 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.104 -3.933 -1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.654 -3.935 -0.716 1.00 0.00 H new ATOM 794 N PRO A 49 17.221 -0.609 0.317 1.00 0.00 N ATOM 795 CA PRO A 49 18.160 0.516 0.253 1.00 0.00 C ATOM 796 C PRO A 49 18.146 1.202 -1.108 1.00 0.00 C ATOM 797 O PRO A 49 18.152 2.430 -1.195 1.00 0.00 O ATOM 798 CB PRO A 49 19.520 -0.137 0.512 1.00 0.00 C ATOM 799 CG PRO A 49 19.208 -1.369 1.287 1.00 0.00 C ATOM 800 CD PRO A 49 17.874 -1.848 0.785 1.00 0.00 C ATOM 0 HA PRO A 49 17.908 1.299 0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.029 -0.375 -0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.178 0.527 1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.976 -2.128 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.170 -1.158 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.985 -2.573 -0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.298 -2.333 1.573 1.00 0.00 H new ATOM 808 N LYS A 50 18.126 0.401 -2.168 1.00 0.00 N ATOM 809 CA LYS A 50 18.108 0.932 -3.526 1.00 0.00 C ATOM 810 C LYS A 50 16.800 1.665 -3.803 1.00 0.00 C ATOM 811 O LYS A 50 16.759 2.607 -4.593 1.00 0.00 O ATOM 812 CB LYS A 50 18.299 -0.198 -4.540 1.00 0.00 C ATOM 813 CG LYS A 50 19.715 -0.748 -4.579 1.00 0.00 C ATOM 814 CD LYS A 50 19.880 -1.929 -3.636 1.00 0.00 C ATOM 815 CE LYS A 50 21.256 -2.561 -3.770 1.00 0.00 C ATOM 816 NZ LYS A 50 21.208 -4.038 -3.593 1.00 0.00 N ATOM 0 H LYS A 50 18.122 -0.618 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 50 18.930 1.641 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.610 -1.008 -4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.032 0.166 -5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.959 -1.056 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.419 0.038 -4.306 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.729 -1.599 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.114 -2.675 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.669 -2.326 -4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.928 -2.128 -3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.166 -4.431 -3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.837 -4.262 -2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.587 -4.454 -4.316 1.00 0.00 H new ATOM 830 N MET A 51 15.730 1.225 -3.146 1.00 0.00 N ATOM 831 CA MET A 51 14.420 1.839 -3.319 1.00 0.00 C ATOM 832 C MET A 51 14.361 3.202 -2.636 1.00 0.00 C ATOM 833 O MET A 51 13.730 4.131 -3.139 1.00 0.00 O ATOM 834 CB MET A 51 13.327 0.931 -2.754 1.00 0.00 C ATOM 835 CG MET A 51 13.024 -0.283 -3.619 1.00 0.00 C ATOM 836 SD MET A 51 12.631 0.151 -5.327 1.00 0.00 S ATOM 837 CE MET A 51 11.122 1.088 -5.104 1.00 0.00 C ATOM 0 H MET A 51 15.746 0.445 -2.489 1.00 0.00 H new ATOM 0 HA MET A 51 14.254 1.978 -4.387 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.627 0.592 -1.762 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.414 1.513 -2.629 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.883 -0.954 -3.608 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.187 -0.831 -3.187 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.030 1.825 -5.902 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.267 0.413 -5.134 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.149 1.597 -4.141 1.00 0.00 H new ATOM 847 N ALA A 52 15.022 3.314 -1.488 1.00 0.00 N ATOM 848 CA ALA A 52 15.040 4.564 -0.737 1.00 0.00 C ATOM 849 C ALA A 52 15.597 5.706 -1.580 1.00 0.00 C ATOM 850 O ALA A 52 15.204 6.861 -1.415 1.00 0.00 O ATOM 851 CB ALA A 52 15.853 4.401 0.538 1.00 0.00 C ATOM 0 H ALA A 52 15.551 2.555 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 52 14.013 4.813 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.858 5.341 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.408 3.621 1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.876 4.124 0.284 1.00 0.00 H new ATOM 857 N ALA A 53 16.510 5.375 -2.486 1.00 0.00 N ATOM 858 CA ALA A 53 17.118 6.374 -3.356 1.00 0.00 C ATOM 859 C ALA A 53 16.275 6.611 -4.609 1.00 0.00 C ATOM 860 O ALA A 53 16.679 7.352 -5.506 1.00 0.00 O ATOM 861 CB ALA A 53 18.527 5.950 -3.740 1.00 0.00 C ATOM 0 H ALA A 53 16.845 4.423 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 53 17.167 7.313 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.970 6.705 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.133 5.845 -2.840 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.489 4.996 -4.266 1.00 0.00 H new ATOM 867 N SER A 54 15.105 5.978 -4.670 1.00 0.00 N ATOM 868 CA SER A 54 14.217 6.124 -5.818 1.00 0.00 C ATOM 869 C SER A 54 12.828 6.588 -5.387 1.00 0.00 C ATOM 870 O SER A 54 12.183 7.373 -6.081 1.00 0.00 O ATOM 871 CB SER A 54 14.111 4.801 -6.578 1.00 0.00 C ATOM 872 OG SER A 54 15.389 4.337 -6.976 1.00 0.00 O ATOM 0 H SER A 54 14.752 5.361 -3.939 1.00 0.00 H new ATOM 0 HA SER A 54 14.642 6.883 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.630 4.054 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.479 4.932 -7.456 1.00 0.00 H new ATOM 0 HG SER A 54 15.784 3.805 -6.253 1.00 0.00 H new ATOM 878 N LEU A 55 12.370 6.097 -4.238 1.00 0.00 N ATOM 879 CA LEU A 55 11.055 6.463 -3.723 1.00 0.00 C ATOM 880 C LEU A 55 11.046 7.902 -3.216 1.00 0.00 C ATOM 881 O LEU A 55 10.149 8.679 -3.541 1.00 0.00 O ATOM 882 CB LEU A 55 10.644 5.514 -2.596 1.00 0.00 C ATOM 883 CG LEU A 55 10.585 4.035 -2.984 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.328 3.174 -1.758 1.00 0.00 C ATOM 885 CD2 LEU A 55 9.511 3.804 -4.036 1.00 0.00 C ATOM 0 H LEU A 55 12.889 5.447 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 55 10.339 6.381 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.346 5.630 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.664 5.816 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 55 11.548 3.749 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.289 2.125 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.132 3.319 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.378 3.460 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.482 2.747 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.542 4.105 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.738 4.394 -4.924 1.00 0.00 H new ATOM 897 N LEU A 56 12.048 8.248 -2.416 1.00 0.00 N ATOM 898 CA LEU A 56 12.154 9.593 -1.861 1.00 0.00 C ATOM 899 C LEU A 56 12.839 10.550 -2.836 1.00 0.00 C ATOM 900 O LEU A 56 12.877 11.758 -2.606 1.00 0.00 O ATOM 901 CB LEU A 56 12.923 9.560 -0.539 1.00 0.00 C ATOM 902 CG LEU A 56 13.065 10.913 0.160 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.053 10.736 1.670 1.00 0.00 C ATOM 904 CD2 LEU A 56 14.340 11.612 -0.288 1.00 0.00 C ATOM 0 H LEU A 56 12.799 7.616 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 56 11.143 9.958 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.422 8.869 0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.919 9.158 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 56 12.216 11.537 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.155 11.709 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.113 10.277 1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.883 10.095 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.425 12.573 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.201 10.992 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.308 11.772 -1.366 1.00 0.00 H new ATOM 916 N ASN A 57 13.382 10.008 -3.924 1.00 0.00 N ATOM 917 CA ASN A 57 14.064 10.824 -4.922 1.00 0.00 C ATOM 918 C ASN A 57 13.134 11.908 -5.472 1.00 0.00 C ATOM 919 O ASN A 57 11.973 11.638 -5.780 1.00 0.00 O ATOM 920 CB ASN A 57 14.575 9.943 -6.066 1.00 0.00 C ATOM 921 CG ASN A 57 16.088 9.960 -6.178 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.639 10.025 -7.276 1.00 0.00 O ATOM 923 ND2 ASN A 57 16.766 9.901 -5.039 1.00 0.00 N ATOM 0 H ASN A 57 13.362 9.010 -4.135 1.00 0.00 H new ATOM 0 HA ASN A 57 14.911 11.311 -4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.236 8.919 -5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 57 14.140 10.284 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 57 17.786 9.909 -5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 57 16.267 9.848 -4.151 1.00 0.00 H new ATOM 930 N PRO A 58 13.631 13.153 -5.605 1.00 0.00 N ATOM 931 CA PRO A 58 12.832 14.272 -6.122 1.00 0.00 C ATOM 932 C PRO A 58 12.422 14.078 -7.581 1.00 0.00 C ATOM 933 O PRO A 58 11.601 14.827 -8.109 1.00 0.00 O ATOM 934 CB PRO A 58 13.765 15.486 -5.992 1.00 0.00 C ATOM 935 CG PRO A 58 14.853 15.055 -5.069 1.00 0.00 C ATOM 936 CD PRO A 58 14.999 13.574 -5.264 1.00 0.00 C ATOM 0 HA PRO A 58 11.896 14.377 -5.573 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.166 15.778 -6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.232 16.350 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.785 15.572 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.603 15.289 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.705 13.339 -6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.361 13.081 -4.362 1.00 0.00 H new ATOM 944 N TYR A 59 13.004 13.074 -8.231 1.00 0.00 N ATOM 945 CA TYR A 59 12.704 12.790 -9.629 1.00 0.00 C ATOM 946 C TYR A 59 11.429 11.962 -9.764 1.00 0.00 C ATOM 947 O TYR A 59 10.754 12.012 -10.792 1.00 0.00 O ATOM 948 CB TYR A 59 13.879 12.053 -10.277 1.00 0.00 C ATOM 949 CG TYR A 59 15.223 12.672 -9.966 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.874 12.401 -8.769 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.839 13.532 -10.866 1.00 0.00 C ATOM 952 CE1 TYR A 59 17.099 12.969 -8.479 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.065 14.103 -10.584 1.00 0.00 C ATOM 954 CZ TYR A 59 17.690 13.819 -9.388 1.00 0.00 C ATOM 955 OH TYR A 59 18.911 14.387 -9.102 1.00 0.00 O ATOM 0 H TYR A 59 13.687 12.444 -7.810 1.00 0.00 H new ATOM 0 HA TYR A 59 12.546 13.739 -10.141 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.878 11.016 -9.940 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.736 12.037 -11.358 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.415 11.735 -8.053 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.351 13.758 -11.803 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.592 12.748 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.531 14.768 -11.296 1.00 0.00 H new ATOM 0 HH TYR A 59 19.188 14.959 -9.848 1.00 0.00 H new ATOM 965 N VAL A 60 11.102 11.203 -8.723 1.00 0.00 N ATOM 966 CA VAL A 60 9.908 10.370 -8.731 1.00 0.00 C ATOM 967 C VAL A 60 8.698 11.142 -8.212 1.00 0.00 C ATOM 968 O VAL A 60 8.072 10.752 -7.225 1.00 0.00 O ATOM 969 CB VAL A 60 10.101 9.100 -7.881 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.171 8.208 -8.491 1.00 0.00 C ATOM 971 CG2 VAL A 60 10.452 9.465 -6.447 1.00 0.00 C ATOM 0 H VAL A 60 11.648 11.149 -7.863 1.00 0.00 H new ATOM 0 HA VAL A 60 9.732 10.078 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 60 9.163 8.546 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.294 7.316 -7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.872 7.918 -9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.115 8.751 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.584 8.555 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.376 10.042 -6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.647 10.060 -6.015 1.00 0.00 H new ATOM 981 N LYS A 61 8.375 12.242 -8.885 1.00 0.00 N ATOM 982 CA LYS A 61 7.241 13.076 -8.496 1.00 0.00 C ATOM 983 C LYS A 61 5.967 12.247 -8.365 1.00 0.00 C ATOM 984 O LYS A 61 5.983 11.030 -8.555 1.00 0.00 O ATOM 985 CB LYS A 61 7.031 14.194 -9.518 1.00 0.00 C ATOM 986 CG LYS A 61 7.824 15.454 -9.213 1.00 0.00 C ATOM 987 CD LYS A 61 7.879 16.383 -10.415 1.00 0.00 C ATOM 988 CE LYS A 61 6.642 17.262 -10.498 1.00 0.00 C ATOM 989 NZ LYS A 61 6.619 18.071 -11.748 1.00 0.00 N ATOM 0 H LYS A 61 8.883 12.578 -9.704 1.00 0.00 H new ATOM 0 HA LYS A 61 7.465 13.515 -7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.311 13.829 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.971 14.443 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.371 15.975 -8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.837 15.184 -8.914 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.768 17.010 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.970 15.794 -11.328 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.749 16.638 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.610 17.927 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.760 18.657 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.458 18.685 -11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.623 17.437 -12.572 1.00 0.00 H new ATOM 1003 N ARG A 62 4.864 12.913 -8.036 1.00 0.00 N ATOM 1004 CA ARG A 62 3.580 12.240 -7.876 1.00 0.00 C ATOM 1005 C ARG A 62 3.181 11.509 -9.154 1.00 0.00 C ATOM 1006 O ARG A 62 2.906 10.309 -9.134 1.00 0.00 O ATOM 1007 CB ARG A 62 2.497 13.250 -7.494 1.00 0.00 C ATOM 1008 CG ARG A 62 2.449 13.559 -6.007 1.00 0.00 C ATOM 1009 CD ARG A 62 1.226 14.387 -5.649 1.00 0.00 C ATOM 1010 NE ARG A 62 1.227 14.786 -4.243 1.00 0.00 N ATOM 1011 CZ ARG A 62 1.997 15.752 -3.748 1.00 0.00 C ATOM 1012 NH1 ARG A 62 2.827 16.421 -4.537 1.00 0.00 N ATOM 1013 NH2 ARG A 62 1.934 16.052 -2.457 1.00 0.00 N ATOM 0 H ARG A 62 4.834 13.920 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 62 3.682 11.505 -7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.666 14.176 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.527 12.865 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.437 12.628 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.351 14.097 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.194 15.276 -6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.324 13.813 -5.862 1.00 0.00 H new ATOM 0 HE ARG A 62 0.601 14.296 -3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.878 16.196 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.414 17.160 -4.150 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.296 15.542 -1.846 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.524 16.792 -2.076 1.00 0.00 H new ATOM 1027 N SER A 63 3.147 12.241 -10.264 1.00 0.00 N ATOM 1028 CA SER A 63 2.778 11.662 -11.552 1.00 0.00 C ATOM 1029 C SER A 63 3.683 10.487 -11.904 1.00 0.00 C ATOM 1030 O SER A 63 3.209 9.377 -12.148 1.00 0.00 O ATOM 1031 CB SER A 63 2.849 12.724 -12.650 1.00 0.00 C ATOM 1032 OG SER A 63 1.882 12.484 -13.657 1.00 0.00 O ATOM 0 H SER A 63 3.370 13.236 -10.297 1.00 0.00 H new ATOM 0 HA SER A 63 1.755 11.295 -11.476 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.689 13.711 -12.216 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.845 12.728 -13.092 1.00 0.00 H new ATOM 0 HG SER A 63 1.948 13.178 -14.346 1.00 0.00 H new ATOM 1038 N VAL A 64 4.988 10.737 -11.928 1.00 0.00 N ATOM 1039 CA VAL A 64 5.958 9.698 -12.252 1.00 0.00 C ATOM 1040 C VAL A 64 5.853 8.527 -11.281 1.00 0.00 C ATOM 1041 O VAL A 64 6.126 7.382 -11.641 1.00 0.00 O ATOM 1042 CB VAL A 64 7.398 10.244 -12.225 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.373 9.206 -12.757 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.493 11.536 -13.025 1.00 0.00 C ATOM 0 H VAL A 64 5.398 11.649 -11.727 1.00 0.00 H new ATOM 0 HA VAL A 64 5.727 9.354 -13.260 1.00 0.00 H new ATOM 0 HB VAL A 64 7.666 10.463 -11.191 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.385 9.610 -12.730 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.324 8.310 -12.139 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.110 8.953 -13.784 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.517 11.908 -12.995 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.206 11.346 -14.059 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.824 12.281 -12.594 1.00 0.00 H new ATOM 1054 N LYS A 65 5.455 8.821 -10.047 1.00 0.00 N ATOM 1055 CA LYS A 65 5.314 7.791 -9.026 1.00 0.00 C ATOM 1056 C LYS A 65 4.163 6.849 -9.361 1.00 0.00 C ATOM 1057 O LYS A 65 4.238 5.646 -9.114 1.00 0.00 O ATOM 1058 CB LYS A 65 5.084 8.429 -7.654 1.00 0.00 C ATOM 1059 CG LYS A 65 6.356 8.589 -6.837 1.00 0.00 C ATOM 1060 CD LYS A 65 6.516 7.464 -5.824 1.00 0.00 C ATOM 1061 CE LYS A 65 7.755 6.628 -6.106 1.00 0.00 C ATOM 1062 NZ LYS A 65 7.491 5.564 -7.115 1.00 0.00 N ATOM 0 H LYS A 65 5.225 9.763 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 65 6.238 7.213 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.624 9.408 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.376 7.819 -7.093 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.218 8.604 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.338 9.547 -6.318 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.581 7.884 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.633 6.825 -5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.556 7.275 -6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.103 6.171 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.144 4.769 -6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.511 5.230 -7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.634 5.949 -8.071 1.00 0.00 H new ATOM 1076 N VAL A 66 3.096 7.405 -9.929 1.00 0.00 N ATOM 1077 CA VAL A 66 1.930 6.613 -10.300 1.00 0.00 C ATOM 1078 C VAL A 66 2.254 5.671 -11.453 1.00 0.00 C ATOM 1079 O VAL A 66 1.939 4.482 -11.403 1.00 0.00 O ATOM 1080 CB VAL A 66 0.745 7.510 -10.702 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.514 6.679 -10.892 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.522 8.599 -9.662 1.00 0.00 C ATOM 0 H VAL A 66 3.016 8.399 -10.142 1.00 0.00 H new ATOM 0 HA VAL A 66 1.651 6.029 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 66 0.982 7.990 -11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.341 7.330 -11.176 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.348 5.941 -11.677 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.757 6.169 -9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.319 9.223 -9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.307 8.141 -8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.419 9.214 -9.581 1.00 0.00 H new ATOM 1092 N LYS A 67 2.887 6.208 -12.491 1.00 0.00 N ATOM 1093 CA LYS A 67 3.255 5.410 -13.654 1.00 0.00 C ATOM 1094 C LYS A 67 4.377 4.438 -13.307 1.00 0.00 C ATOM 1095 O LYS A 67 4.464 3.347 -13.870 1.00 0.00 O ATOM 1096 CB LYS A 67 3.687 6.318 -14.807 1.00 0.00 C ATOM 1097 CG LYS A 67 3.277 5.798 -16.176 1.00 0.00 C ATOM 1098 CD LYS A 67 3.847 4.414 -16.440 1.00 0.00 C ATOM 1099 CE LYS A 67 3.637 3.991 -17.885 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.610 2.944 -18.305 1.00 0.00 N ATOM 0 H LYS A 67 3.155 7.190 -12.550 1.00 0.00 H new ATOM 0 HA LYS A 67 2.382 4.836 -13.964 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.257 7.308 -14.660 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.770 6.434 -14.781 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.190 5.763 -16.242 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.622 6.488 -16.946 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.912 4.408 -16.209 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.373 3.691 -15.776 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.622 3.614 -18.009 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.736 4.860 -18.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.433 2.683 -19.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.578 3.312 -18.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.499 2.105 -17.701 1.00 0.00 H new ATOM 1114 N SER A 68 5.232 4.841 -12.372 1.00 0.00 N ATOM 1115 CA SER A 68 6.345 4.003 -11.945 1.00 0.00 C ATOM 1116 C SER A 68 5.857 2.876 -11.043 1.00 0.00 C ATOM 1117 O SER A 68 6.429 1.785 -11.032 1.00 0.00 O ATOM 1118 CB SER A 68 7.392 4.844 -11.211 1.00 0.00 C ATOM 1119 OG SER A 68 6.893 5.311 -9.969 1.00 0.00 O ATOM 0 H SER A 68 5.175 5.742 -11.897 1.00 0.00 H new ATOM 0 HA SER A 68 6.801 3.564 -12.832 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.290 4.249 -11.045 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.682 5.692 -11.832 1.00 0.00 H new ATOM 0 HG SER A 68 5.917 5.221 -9.954 1.00 0.00 H new ATOM 1125 N LEU A 69 4.795 3.145 -10.289 1.00 0.00 N ATOM 1126 CA LEU A 69 4.229 2.151 -9.386 1.00 0.00 C ATOM 1127 C LEU A 69 3.459 1.088 -10.162 1.00 0.00 C ATOM 1128 O LEU A 69 3.527 -0.098 -9.844 1.00 0.00 O ATOM 1129 CB LEU A 69 3.308 2.824 -8.367 1.00 0.00 C ATOM 1130 CG LEU A 69 3.997 3.306 -7.090 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.121 4.311 -6.359 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.328 2.128 -6.187 1.00 0.00 C ATOM 0 H LEU A 69 4.310 4.042 -10.286 1.00 0.00 H new ATOM 0 HA LEU A 69 5.050 1.666 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.825 3.676 -8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.520 2.122 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 69 4.929 3.800 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.627 4.643 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.934 5.169 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.173 3.843 -6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.818 2.489 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.410 1.606 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.994 1.443 -6.712 1.00 0.00 H new ATOM 1144 N SER A 70 2.727 1.522 -11.182 1.00 0.00 N ATOM 1145 CA SER A 70 1.943 0.608 -12.005 1.00 0.00 C ATOM 1146 C SER A 70 2.847 -0.260 -12.871 1.00 0.00 C ATOM 1147 O SER A 70 2.486 -1.379 -13.234 1.00 0.00 O ATOM 1148 CB SER A 70 0.962 1.387 -12.882 1.00 0.00 C ATOM 1149 OG SER A 70 -0.225 0.644 -13.105 1.00 0.00 O ATOM 0 H SER A 70 2.660 2.501 -11.459 1.00 0.00 H new ATOM 0 HA SER A 70 1.379 -0.045 -11.339 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.717 2.335 -12.404 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.432 1.623 -13.837 1.00 0.00 H new ATOM 0 HG SER A 70 -0.836 1.165 -13.667 1.00 0.00 H new ATOM 1155 N ASP A 71 4.028 0.253 -13.192 1.00 0.00 N ATOM 1156 CA ASP A 71 4.983 -0.492 -14.000 1.00 0.00 C ATOM 1157 C ASP A 71 5.896 -1.307 -13.099 1.00 0.00 C ATOM 1158 O ASP A 71 6.315 -2.410 -13.450 1.00 0.00 O ATOM 1159 CB ASP A 71 5.805 0.455 -14.876 1.00 0.00 C ATOM 1160 CG ASP A 71 6.370 -0.235 -16.102 1.00 0.00 C ATOM 1161 OD1 ASP A 71 5.669 -1.096 -16.674 1.00 0.00 O ATOM 1162 OD2 ASP A 71 7.513 0.084 -16.489 1.00 0.00 O ATOM 0 H ASP A 71 4.346 1.179 -12.906 1.00 0.00 H new ATOM 0 HA ASP A 71 4.434 -1.169 -14.655 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.179 1.291 -15.189 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.623 0.872 -14.288 1.00 0.00 H new ATOM 1167 N MET A 72 6.183 -0.761 -11.923 1.00 0.00 N ATOM 1168 CA MET A 72 7.026 -1.442 -10.956 1.00 0.00 C ATOM 1169 C MET A 72 6.212 -2.481 -10.205 1.00 0.00 C ATOM 1170 O MET A 72 6.746 -3.502 -9.773 1.00 0.00 O ATOM 1171 CB MET A 72 7.643 -0.439 -9.977 1.00 0.00 C ATOM 1172 CG MET A 72 8.402 -1.088 -8.828 1.00 0.00 C ATOM 1173 SD MET A 72 8.891 0.099 -7.562 1.00 0.00 S ATOM 1174 CE MET A 72 7.463 0.048 -6.483 1.00 0.00 C ATOM 0 H MET A 72 5.843 0.151 -11.619 1.00 0.00 H new ATOM 0 HA MET A 72 7.836 -1.941 -11.487 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.321 0.217 -10.523 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.852 0.189 -9.568 1.00 0.00 H new ATOM 0 HG2 MET A 72 7.779 -1.860 -8.376 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.291 -1.584 -9.219 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.467 0.923 -5.833 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.553 0.046 -7.083 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.499 -0.856 -5.875 1.00 0.00 H new ATOM 1184 N THR A 73 4.913 -2.233 -10.065 1.00 0.00 N ATOM 1185 CA THR A 73 4.059 -3.181 -9.382 1.00 0.00 C ATOM 1186 C THR A 73 3.966 -4.462 -10.187 1.00 0.00 C ATOM 1187 O THR A 73 3.808 -5.546 -9.627 1.00 0.00 O ATOM 1188 CB THR A 73 2.664 -2.626 -9.136 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.912 -3.563 -8.401 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.886 -2.331 -10.389 1.00 0.00 C ATOM 0 H THR A 73 4.441 -1.397 -10.411 1.00 0.00 H new ATOM 0 HA THR A 73 4.508 -3.383 -8.409 1.00 0.00 H new ATOM 0 HB THR A 73 2.815 -1.687 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.348 -3.728 -7.539 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.904 -1.939 -10.124 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.422 -1.593 -10.985 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.767 -3.247 -10.968 1.00 0.00 H new ATOM 1198 N ALA A 74 4.094 -4.340 -11.509 1.00 0.00 N ATOM 1199 CA ALA A 74 4.053 -5.511 -12.370 1.00 0.00 C ATOM 1200 C ALA A 74 5.009 -6.566 -11.831 1.00 0.00 C ATOM 1201 O ALA A 74 4.784 -7.766 -11.984 1.00 0.00 O ATOM 1202 CB ALA A 74 4.409 -5.138 -13.802 1.00 0.00 C ATOM 0 H ALA A 74 4.225 -3.454 -11.996 1.00 0.00 H new ATOM 0 HA ALA A 74 3.042 -5.917 -12.376 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.372 -6.028 -14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.696 -4.402 -14.174 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.414 -4.716 -13.829 1.00 0.00 H new ATOM 1208 N LYS A 75 6.071 -6.099 -11.173 1.00 0.00 N ATOM 1209 CA LYS A 75 7.053 -6.991 -10.581 1.00 0.00 C ATOM 1210 C LYS A 75 6.792 -7.162 -9.087 1.00 0.00 C ATOM 1211 O LYS A 75 7.197 -8.160 -8.489 1.00 0.00 O ATOM 1212 CB LYS A 75 8.470 -6.460 -10.812 1.00 0.00 C ATOM 1213 CG LYS A 75 9.102 -6.953 -12.103 1.00 0.00 C ATOM 1214 CD LYS A 75 9.225 -8.468 -12.122 1.00 0.00 C ATOM 1215 CE LYS A 75 10.144 -8.938 -13.236 1.00 0.00 C ATOM 1216 NZ LYS A 75 9.460 -8.937 -14.559 1.00 0.00 N ATOM 0 H LYS A 75 6.268 -5.107 -11.040 1.00 0.00 H new ATOM 0 HA LYS A 75 6.963 -7.964 -11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.443 -5.370 -10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.101 -6.755 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.501 -6.625 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.089 -6.506 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.608 -8.815 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.238 -8.913 -12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.021 -8.292 -13.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.500 -9.944 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.121 -9.264 -15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.638 -9.573 -14.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.142 -7.973 -14.785 1.00 0.00 H new ATOM 1230 N GLU A 76 6.107 -6.189 -8.487 1.00 0.00 N ATOM 1231 CA GLU A 76 5.789 -6.246 -7.068 1.00 0.00 C ATOM 1232 C GLU A 76 4.736 -7.314 -6.799 1.00 0.00 C ATOM 1233 O GLU A 76 5.015 -8.307 -6.128 1.00 0.00 O ATOM 1234 CB GLU A 76 5.297 -4.882 -6.581 1.00 0.00 C ATOM 1235 CG GLU A 76 5.487 -4.657 -5.089 1.00 0.00 C ATOM 1236 CD GLU A 76 6.895 -4.975 -4.622 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.147 -6.138 -4.243 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.745 -4.059 -4.633 1.00 0.00 O ATOM 0 H GLU A 76 5.764 -5.355 -8.964 1.00 0.00 H new ATOM 0 HA GLU A 76 6.694 -6.508 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.825 -4.100 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.239 -4.781 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.255 -3.619 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.778 -5.276 -4.539 1.00 0.00 H new ATOM 1245 N LYS A 77 3.532 -7.104 -7.343 1.00 0.00 N ATOM 1246 CA LYS A 77 2.413 -8.046 -7.188 1.00 0.00 C ATOM 1247 C LYS A 77 1.063 -7.342 -7.351 1.00 0.00 C ATOM 1248 O LYS A 77 0.115 -7.927 -7.873 1.00 0.00 O ATOM 1249 CB LYS A 77 2.452 -8.755 -5.826 1.00 0.00 C ATOM 1250 CG LYS A 77 1.264 -9.673 -5.581 1.00 0.00 C ATOM 1251 CD LYS A 77 1.280 -10.868 -6.520 1.00 0.00 C ATOM 1252 CE LYS A 77 0.059 -11.750 -6.320 1.00 0.00 C ATOM 1253 NZ LYS A 77 0.257 -12.730 -5.217 1.00 0.00 N ATOM 0 H LYS A 77 3.304 -6.281 -7.901 1.00 0.00 H new ATOM 0 HA LYS A 77 2.524 -8.791 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.371 -9.337 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.489 -8.004 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.278 -10.021 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.338 -9.115 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.314 -10.520 -7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.184 -11.453 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.807 -11.126 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.159 -12.284 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.665 -13.108 -4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.860 -13.510 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.715 -12.258 -4.411 1.00 0.00 H new ATOM 1267 N PHE A 78 0.975 -6.093 -6.886 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.268 -5.325 -6.968 1.00 0.00 C ATOM 1269 C PHE A 78 -0.930 -5.464 -8.311 1.00 0.00 C ATOM 1270 O PHE A 78 -0.330 -5.940 -9.273 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.024 -3.845 -6.698 1.00 0.00 C ATOM 1272 CG PHE A 78 0.946 -3.625 -5.597 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.720 -4.195 -4.366 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.090 -2.881 -5.798 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.624 -4.028 -3.345 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.998 -2.703 -4.780 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.766 -3.282 -3.547 1.00 0.00 C ATOM 0 H PHE A 78 1.750 -5.593 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.928 -5.735 -6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.346 -3.369 -7.606 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.969 -3.363 -6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.174 -4.778 -4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.275 -2.434 -6.764 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.440 -4.482 -2.382 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.888 -2.113 -4.944 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.477 -3.151 -2.744 1.00 0.00 H new ATOM 1287 N SER A 79 -2.172 -5.014 -8.361 1.00 0.00 N ATOM 1288 CA SER A 79 -2.948 -5.052 -9.588 1.00 0.00 C ATOM 1289 C SER A 79 -4.447 -5.004 -9.321 1.00 0.00 C ATOM 1290 O SER A 79 -5.183 -4.331 -10.041 1.00 0.00 O ATOM 1291 CB SER A 79 -2.620 -6.299 -10.419 1.00 0.00 C ATOM 1292 OG SER A 79 -1.630 -6.019 -11.393 1.00 0.00 O ATOM 0 H SER A 79 -2.666 -4.616 -7.562 1.00 0.00 H new ATOM 0 HA SER A 79 -2.670 -4.162 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.272 -7.096 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.524 -6.661 -10.909 1.00 0.00 H new ATOM 0 HG SER A 79 -0.766 -5.883 -10.951 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.941 -5.763 -8.329 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.355 -5.829 -8.040 1.00 0.00 C ATOM 1300 C PRO A 80 -6.823 -4.964 -6.876 1.00 0.00 C ATOM 1301 O PRO A 80 -7.444 -3.924 -7.093 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.540 -7.312 -7.724 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.205 -7.780 -7.202 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.199 -6.677 -7.464 1.00 0.00 C ATOM 0 HA PRO A 80 -6.948 -5.444 -8.870 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.326 -7.461 -6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.831 -7.870 -8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.266 -7.998 -6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.901 -8.701 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.881 -6.192 -6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.301 -7.056 -7.951 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.543 -5.382 -5.644 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.974 -4.601 -4.496 1.00 0.00 C ATOM 1314 C LEU A 81 -5.863 -3.675 -4.062 1.00 0.00 C ATOM 1315 O LEU A 81 -5.979 -2.954 -3.072 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.394 -5.508 -3.344 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.870 -5.914 -3.351 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.765 -4.684 -3.421 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.158 -6.850 -4.515 1.00 0.00 C ATOM 0 H LEU A 81 -6.032 -6.236 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.841 -4.007 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.783 -6.411 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.175 -5.002 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.086 -6.441 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.810 -4.994 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.578 -4.048 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.548 -4.128 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.212 -7.129 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.925 -6.347 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.544 -7.746 -4.422 1.00 0.00 H new ATOM 1331 N THR A 82 -4.786 -3.701 -4.826 1.00 0.00 N ATOM 1332 CA THR A 82 -3.644 -2.873 -4.556 1.00 0.00 C ATOM 1333 C THR A 82 -3.389 -1.917 -5.710 1.00 0.00 C ATOM 1334 O THR A 82 -2.520 -1.052 -5.624 1.00 0.00 O ATOM 1335 CB THR A 82 -2.426 -3.739 -4.291 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.793 -5.104 -4.173 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.712 -3.342 -3.019 1.00 0.00 C ATOM 0 H THR A 82 -4.687 -4.298 -5.647 1.00 0.00 H new ATOM 0 HA THR A 82 -3.846 -2.276 -3.666 1.00 0.00 H new ATOM 0 HB THR A 82 -1.759 -3.593 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.627 -5.562 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.847 -3.989 -2.870 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.382 -2.306 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.392 -3.445 -2.173 1.00 0.00 H new ATOM 1345 N SER A 83 -4.166 -2.046 -6.786 1.00 0.00 N ATOM 1346 CA SER A 83 -4.002 -1.155 -7.921 1.00 0.00 C ATOM 1347 C SER A 83 -4.778 0.140 -7.699 1.00 0.00 C ATOM 1348 O SER A 83 -5.169 0.824 -8.645 1.00 0.00 O ATOM 1349 CB SER A 83 -4.470 -1.819 -9.213 1.00 0.00 C ATOM 1350 OG SER A 83 -3.373 -2.203 -10.023 1.00 0.00 O ATOM 0 H SER A 83 -4.900 -2.747 -6.890 1.00 0.00 H new ATOM 0 HA SER A 83 -2.940 -0.926 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.073 -2.695 -8.976 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.110 -1.132 -9.766 1.00 0.00 H new ATOM 0 HG SER A 83 -3.704 -2.583 -10.863 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.975 0.465 -6.435 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.676 1.669 -6.024 1.00 0.00 C ATOM 1358 C ASN A 84 -4.923 2.233 -4.845 1.00 0.00 C ATOM 1359 O ASN A 84 -4.583 3.415 -4.803 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.125 1.358 -5.643 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.088 1.602 -6.787 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.966 1.003 -7.856 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.057 2.485 -6.568 1.00 0.00 N ATOM 0 H ASN A 84 -4.649 -0.106 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.714 2.389 -6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.199 0.318 -5.325 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.414 1.973 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.736 2.689 -7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.121 2.959 -5.667 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.602 1.340 -3.915 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.815 1.702 -2.763 1.00 0.00 C ATOM 1372 C LEU A 85 -2.422 2.087 -3.242 1.00 0.00 C ATOM 1373 O LEU A 85 -1.684 2.781 -2.546 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.726 0.532 -1.777 1.00 0.00 C ATOM 1375 CG LEU A 85 -3.322 0.917 -0.351 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -4.533 0.914 0.569 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.249 -0.025 0.175 1.00 0.00 C ATOM 0 H LEU A 85 -4.880 0.359 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.284 2.539 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.694 0.032 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.007 -0.192 -2.159 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.911 1.926 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.225 1.190 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.268 1.632 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.975 -0.082 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.976 0.265 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.632 -1.046 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.370 0.030 -0.467 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.071 1.629 -4.454 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.775 1.931 -5.025 1.00 0.00 C ATOM 1391 C ILE A 86 -0.670 3.416 -5.360 1.00 0.00 C ATOM 1392 O ILE A 86 0.219 4.113 -4.871 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.492 1.067 -6.284 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.483 -0.059 -5.940 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.061 1.904 -7.436 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.018 -0.936 -4.799 1.00 0.00 C ATOM 0 H ILE A 86 -2.671 1.053 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.019 1.687 -4.279 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.440 0.640 -6.611 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.636 -0.678 -6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.450 0.375 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.245 1.261 -8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.662 2.674 -7.706 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.995 2.375 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.760 -1.712 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.108 -0.330 -3.902 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.934 -1.399 -5.060 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.590 3.894 -6.190 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.608 5.297 -6.581 1.00 0.00 C ATOM 1410 C ASN A 87 -2.003 6.180 -5.402 1.00 0.00 C ATOM 1411 O ASN A 87 -1.708 7.375 -5.384 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.579 5.511 -7.744 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.179 4.737 -8.983 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.998 4.470 -9.207 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.162 4.373 -9.798 1.00 0.00 N ATOM 0 H ASN A 87 -2.332 3.330 -6.604 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.604 5.575 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.580 5.208 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.627 6.573 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.952 3.851 -10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.127 4.616 -9.573 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.669 5.583 -4.418 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.103 6.313 -3.234 1.00 0.00 C ATOM 1424 C LEU A 88 -1.954 6.488 -2.249 1.00 0.00 C ATOM 1425 O LEU A 88 -1.867 7.506 -1.563 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.267 5.587 -2.557 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.176 6.474 -1.706 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.589 5.911 -1.670 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.618 6.612 -0.297 1.00 0.00 C ATOM 0 H LEU A 88 -2.920 4.594 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.437 7.301 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.871 5.105 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.864 4.795 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.214 7.465 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.222 6.555 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.988 5.865 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.571 4.909 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.278 7.247 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.550 5.627 0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.626 7.061 -0.341 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.069 5.497 -2.181 1.00 0.00 N ATOM 1442 CA LEU A 89 0.068 5.571 -1.273 1.00 0.00 C ATOM 1443 C LEU A 89 1.096 6.570 -1.786 1.00 0.00 C ATOM 1444 O LEU A 89 1.768 7.243 -1.006 1.00 0.00 O ATOM 1445 CB LEU A 89 0.705 4.193 -1.097 1.00 0.00 C ATOM 1446 CG LEU A 89 0.531 3.593 0.296 1.00 0.00 C ATOM 1447 CD1 LEU A 89 -0.935 3.296 0.569 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.371 2.335 0.447 1.00 0.00 C ATOM 0 H LEU A 89 -1.117 4.643 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.290 5.912 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.275 3.511 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.770 4.267 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 89 0.876 4.322 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.040 2.869 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.511 4.219 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.306 2.587 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.233 1.923 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.061 1.599 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.423 2.580 0.298 1.00 0.00 H new ATOM 1460 N ALA A 90 1.203 6.665 -3.104 1.00 0.00 N ATOM 1461 CA ALA A 90 2.139 7.588 -3.729 1.00 0.00 C ATOM 1462 C ALA A 90 1.412 8.808 -4.291 1.00 0.00 C ATOM 1463 O ALA A 90 1.930 9.500 -5.167 1.00 0.00 O ATOM 1464 CB ALA A 90 2.920 6.884 -4.828 1.00 0.00 C ATOM 0 H ALA A 90 0.652 6.113 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 90 2.838 7.932 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.616 7.586 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.475 6.049 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.229 6.512 -5.584 1.00 0.00 H new ATOM 1470 N GLU A 91 0.208 9.066 -3.783 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.584 10.202 -4.237 1.00 0.00 C ATOM 1472 C GLU A 91 -0.221 11.463 -3.462 1.00 0.00 C ATOM 1473 O GLU A 91 -0.041 12.532 -4.044 1.00 0.00 O ATOM 1474 CB GLU A 91 -2.078 9.904 -4.081 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.883 10.164 -5.344 1.00 0.00 C ATOM 1476 CD GLU A 91 -4.203 9.415 -5.357 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -5.154 9.877 -4.694 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.283 8.367 -6.031 1.00 0.00 O ATOM 0 H GLU A 91 -0.238 8.503 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.362 10.370 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.204 8.862 -3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.480 10.514 -3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.075 11.233 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.294 9.871 -6.213 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.116 11.331 -2.143 1.00 0.00 N ATOM 1486 CA ASN A 92 0.225 12.464 -1.289 1.00 0.00 C ATOM 1487 C ASN A 92 1.559 12.242 -0.578 1.00 0.00 C ATOM 1488 O ASN A 92 1.872 12.928 0.396 1.00 0.00 O ATOM 1489 CB ASN A 92 -0.880 12.701 -0.259 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.256 12.762 -0.891 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.574 13.699 -1.624 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.082 11.761 -0.611 1.00 0.00 N ATOM 0 H ASN A 92 -0.262 10.454 -1.644 1.00 0.00 H new ATOM 0 HA ASN A 92 0.321 13.344 -1.925 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.859 11.902 0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.685 13.633 0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.021 11.748 -1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.777 11.004 0.002 1.00 0.00 H new ATOM 1499 N GLY A 93 2.342 11.284 -1.067 1.00 0.00 N ATOM 1500 CA GLY A 93 3.628 10.999 -0.459 1.00 0.00 C ATOM 1501 C GLY A 93 3.507 10.094 0.750 1.00 0.00 C ATOM 1502 O GLY A 93 4.069 10.380 1.807 1.00 0.00 O ATOM 0 H GLY A 93 2.109 10.702 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.280 10.530 -1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.102 11.935 -0.163 1.00 0.00 H new ATOM 1506 N ARG A 94 2.770 9.000 0.594 1.00 0.00 N ATOM 1507 CA ARG A 94 2.576 8.051 1.682 1.00 0.00 C ATOM 1508 C ARG A 94 3.542 6.875 1.562 1.00 0.00 C ATOM 1509 O ARG A 94 3.246 5.768 2.013 1.00 0.00 O ATOM 1510 CB ARG A 94 1.133 7.541 1.690 1.00 0.00 C ATOM 1511 CG ARG A 94 0.635 7.147 3.071 1.00 0.00 C ATOM 1512 CD ARG A 94 0.386 8.368 3.943 1.00 0.00 C ATOM 1513 NE ARG A 94 1.585 8.773 4.673 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.634 9.819 5.494 1.00 0.00 C ATOM 1515 NH1 ARG A 94 0.557 10.569 5.691 1.00 0.00 N ATOM 1516 NH2 ARG A 94 2.765 10.118 6.120 1.00 0.00 N ATOM 0 H ARG A 94 2.298 8.749 -0.275 1.00 0.00 H new ATOM 0 HA ARG A 94 2.778 8.568 2.620 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.481 8.315 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.057 6.680 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.286 6.572 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.367 6.498 3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.044 9.195 3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.414 8.151 4.651 1.00 0.00 H new ATOM 0 HE ARG A 94 2.434 8.222 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.315 10.345 5.212 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.601 11.369 6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.597 9.546 5.972 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.803 10.920 6.749 1.00 0.00 H new ATOM 1530 N LEU A 95 4.699 7.123 0.955 1.00 0.00 N ATOM 1531 CA LEU A 95 5.707 6.084 0.780 1.00 0.00 C ATOM 1532 C LEU A 95 6.821 6.232 1.809 1.00 0.00 C ATOM 1533 O LEU A 95 7.977 5.903 1.541 1.00 0.00 O ATOM 1534 CB LEU A 95 6.289 6.138 -0.634 1.00 0.00 C ATOM 1535 CG LEU A 95 5.343 5.672 -1.742 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.908 6.023 -3.109 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.097 4.174 -1.634 1.00 0.00 C ATOM 0 H LEU A 95 4.961 8.033 0.577 1.00 0.00 H new ATOM 0 HA LEU A 95 5.226 5.117 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.595 7.163 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.189 5.524 -0.664 1.00 0.00 H new ATOM 0 HG LEU A 95 4.390 6.188 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.221 5.684 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.035 7.103 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.873 5.534 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.422 3.858 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.044 3.642 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.649 3.948 -0.666 1.00 0.00 H new ATOM 1549 N THR A 96 6.465 6.728 2.989 1.00 0.00 N ATOM 1550 CA THR A 96 7.430 6.920 4.064 1.00 0.00 C ATOM 1551 C THR A 96 7.107 6.006 5.240 1.00 0.00 C ATOM 1552 O THR A 96 8.004 5.466 5.887 1.00 0.00 O ATOM 1553 CB THR A 96 7.434 8.380 4.522 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.315 8.649 5.348 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.407 9.367 3.375 1.00 0.00 C ATOM 0 H THR A 96 5.512 7.005 3.225 1.00 0.00 H new ATOM 0 HA THR A 96 8.420 6.667 3.685 1.00 0.00 H new ATOM 0 HB THR A 96 8.368 8.509 5.069 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.508 8.361 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.411 10.383 3.769 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.285 9.218 2.746 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.505 9.212 2.782 1.00 0.00 H new ATOM 1563 N ASN A 97 5.816 5.837 5.510 1.00 0.00 N ATOM 1564 CA ASN A 97 5.367 4.987 6.605 1.00 0.00 C ATOM 1565 C ASN A 97 4.469 3.864 6.089 1.00 0.00 C ATOM 1566 O ASN A 97 3.667 3.309 6.839 1.00 0.00 O ATOM 1567 CB ASN A 97 4.617 5.817 7.648 1.00 0.00 C ATOM 1568 CG ASN A 97 5.537 6.740 8.422 1.00 0.00 C ATOM 1569 OD1 ASN A 97 5.658 7.978 7.960 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.132 6.343 9.425 1.00 0.00 N flip ATOM 0 H ASN A 97 5.062 6.279 4.984 1.00 0.00 H new ATOM 0 HA ASN A 97 6.246 4.541 7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.847 6.408 7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.108 5.149 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.009 5.382 9.744 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.748 6.975 9.936 1.00 0.00 H new ATOM 1577 N THR A 98 4.607 3.538 4.803 1.00 0.00 N ATOM 1578 CA THR A 98 3.803 2.480 4.184 1.00 0.00 C ATOM 1579 C THR A 98 3.695 1.248 5.090 1.00 0.00 C ATOM 1580 O THR A 98 2.594 0.766 5.352 1.00 0.00 O ATOM 1581 CB THR A 98 4.359 2.077 2.802 1.00 0.00 C ATOM 1582 OG1 THR A 98 4.387 0.668 2.657 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.758 2.586 2.513 1.00 0.00 C ATOM 0 H THR A 98 5.267 3.990 4.170 1.00 0.00 H new ATOM 0 HA THR A 98 2.803 2.889 4.044 1.00 0.00 H new ATOM 0 HB THR A 98 3.675 2.545 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.317 0.364 2.596 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.068 2.256 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.764 3.675 2.551 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.449 2.193 3.259 1.00 0.00 H new ATOM 1591 N PRO A 99 4.827 0.715 5.586 1.00 0.00 N ATOM 1592 CA PRO A 99 4.813 -0.462 6.461 1.00 0.00 C ATOM 1593 C PRO A 99 3.940 -0.254 7.694 1.00 0.00 C ATOM 1594 O PRO A 99 3.502 -1.217 8.325 1.00 0.00 O ATOM 1595 CB PRO A 99 6.283 -0.648 6.864 1.00 0.00 C ATOM 1596 CG PRO A 99 6.957 0.635 6.511 1.00 0.00 C ATOM 1597 CD PRO A 99 6.194 1.201 5.349 1.00 0.00 C ATOM 0 HA PRO A 99 4.393 -1.332 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.374 -0.859 7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.733 -1.487 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.949 1.324 7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.001 0.467 6.247 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.238 2.290 5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.589 0.848 4.396 1.00 0.00 H new ATOM 1605 N ALA A 100 3.685 1.006 8.031 1.00 0.00 N ATOM 1606 CA ALA A 100 2.858 1.335 9.185 1.00 0.00 C ATOM 1607 C ALA A 100 1.380 1.139 8.871 1.00 0.00 C ATOM 1608 O ALA A 100 0.596 0.764 9.741 1.00 0.00 O ATOM 1609 CB ALA A 100 3.121 2.765 9.632 1.00 0.00 C ATOM 0 H ALA A 100 4.039 1.815 7.521 1.00 0.00 H new ATOM 0 HA ALA A 100 3.123 0.659 9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.497 2.997 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.171 2.874 9.904 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.884 3.450 8.818 1.00 0.00 H new ATOM 1615 N VAL A 101 1.004 1.395 7.620 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.383 1.242 7.196 1.00 0.00 C ATOM 1617 C VAL A 101 -0.774 -0.233 7.117 1.00 0.00 C ATOM 1618 O VAL A 101 -1.954 -0.577 7.188 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.640 1.921 5.831 1.00 0.00 C ATOM 1620 CG1 VAL A 101 0.014 1.148 4.692 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -2.135 2.080 5.589 1.00 0.00 C ATOM 0 H VAL A 101 1.639 1.708 6.886 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.000 1.734 7.948 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.186 2.911 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.187 1.653 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.090 1.100 4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.393 0.138 4.657 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.298 2.560 4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.610 1.099 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.568 2.695 6.378 1.00 0.00 H new ATOM 1631 N ILE A 102 0.225 -1.101 6.968 1.00 0.00 N ATOM 1632 CA ILE A 102 -0.017 -2.535 6.880 1.00 0.00 C ATOM 1633 C ILE A 102 -0.398 -3.113 8.239 1.00 0.00 C ATOM 1634 O ILE A 102 -1.170 -4.068 8.323 1.00 0.00 O ATOM 1635 CB ILE A 102 1.218 -3.284 6.343 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.725 -2.624 5.059 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.886 -4.748 6.096 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.117 -3.064 4.663 1.00 0.00 C ATOM 0 H ILE A 102 1.208 -0.834 6.906 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.845 -2.673 6.184 1.00 0.00 H new ATOM 0 HB ILE A 102 2.008 -3.232 7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.036 -2.852 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.718 -1.542 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.769 -5.262 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.569 -5.212 7.030 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.082 -4.820 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.412 -2.556 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.818 -2.811 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.125 -4.142 4.501 1.00 0.00 H new ATOM 1650 N SER A 103 0.149 -2.529 9.302 1.00 0.00 N ATOM 1651 CA SER A 103 -0.138 -2.989 10.656 1.00 0.00 C ATOM 1652 C SER A 103 -1.633 -2.928 10.942 1.00 0.00 C ATOM 1653 O SER A 103 -2.225 -3.900 11.412 1.00 0.00 O ATOM 1654 CB SER A 103 0.626 -2.146 11.679 1.00 0.00 C ATOM 1655 OG SER A 103 2.022 -2.367 11.582 1.00 0.00 O ATOM 0 H SER A 103 0.792 -1.739 9.251 1.00 0.00 H new ATOM 0 HA SER A 103 0.188 -4.026 10.738 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.410 -1.090 11.518 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.285 -2.392 12.685 1.00 0.00 H new ATOM 0 HG SER A 103 2.501 -1.554 11.845 1.00 0.00 H new ATOM 1661 N ALA A 104 -2.242 -1.784 10.647 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.671 -1.605 10.865 1.00 0.00 C ATOM 1663 C ALA A 104 -4.466 -2.655 10.096 1.00 0.00 C ATOM 1664 O ALA A 104 -5.541 -3.074 10.525 1.00 0.00 O ATOM 1665 CB ALA A 104 -4.099 -0.205 10.452 1.00 0.00 C ATOM 0 H ALA A 104 -1.768 -0.969 10.257 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.876 -1.730 11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.169 -0.087 10.621 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.555 0.531 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.880 -0.055 9.395 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.923 -3.078 8.960 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.572 -4.083 8.128 1.00 0.00 C ATOM 1673 C PHE A 105 -4.743 -5.390 8.892 1.00 0.00 C ATOM 1674 O PHE A 105 -5.669 -6.156 8.628 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.753 -4.333 6.860 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.587 -4.685 5.660 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.988 -5.993 5.431 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.966 -3.707 4.755 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.750 -6.314 4.327 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.726 -4.024 3.650 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.119 -5.329 3.436 1.00 0.00 C ATOM 0 H PHE A 105 -3.033 -2.739 8.594 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.557 -3.707 7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.167 -3.442 6.635 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.045 -5.140 7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.700 -6.769 6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.662 -2.683 4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.057 -7.336 4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.014 -3.252 2.952 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.715 -5.579 2.571 1.00 0.00 H new ATOM 1691 N SER A 106 -3.839 -5.647 9.833 1.00 0.00 N ATOM 1692 CA SER A 106 -3.895 -6.874 10.619 1.00 0.00 C ATOM 1693 C SER A 106 -4.842 -6.740 11.807 1.00 0.00 C ATOM 1694 O SER A 106 -5.292 -7.741 12.364 1.00 0.00 O ATOM 1695 CB SER A 106 -2.498 -7.265 11.103 1.00 0.00 C ATOM 1696 OG SER A 106 -2.535 -8.467 11.852 1.00 0.00 O ATOM 0 H SER A 106 -3.064 -5.027 10.068 1.00 0.00 H new ATOM 0 HA SER A 106 -4.281 -7.660 9.970 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.834 -7.387 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.085 -6.464 11.716 1.00 0.00 H new ATOM 0 HG SER A 106 -1.629 -8.696 12.148 1.00 0.00 H new ATOM 1702 N THR A 107 -5.156 -5.509 12.185 1.00 0.00 N ATOM 1703 CA THR A 107 -6.067 -5.273 13.296 1.00 0.00 C ATOM 1704 C THR A 107 -7.459 -4.971 12.772 1.00 0.00 C ATOM 1705 O THR A 107 -8.460 -5.307 13.408 1.00 0.00 O ATOM 1706 CB THR A 107 -5.565 -4.126 14.176 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.268 -4.404 14.671 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.461 -3.848 15.365 1.00 0.00 C ATOM 0 H THR A 107 -4.796 -4.663 11.742 1.00 0.00 H new ATOM 0 HA THR A 107 -6.109 -6.174 13.907 1.00 0.00 H new ATOM 0 HB THR A 107 -5.561 -3.247 13.531 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.964 -3.658 15.230 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.048 -3.024 15.947 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.458 -3.581 15.015 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.523 -4.739 15.990 1.00 0.00 H new ATOM 1716 N MET A 108 -7.521 -4.361 11.597 1.00 0.00 N ATOM 1717 CA MET A 108 -8.792 -4.049 10.980 1.00 0.00 C ATOM 1718 C MET A 108 -9.345 -5.286 10.292 1.00 0.00 C ATOM 1719 O MET A 108 -10.554 -5.416 10.109 1.00 0.00 O ATOM 1720 CB MET A 108 -8.636 -2.907 9.982 1.00 0.00 C ATOM 1721 CG MET A 108 -8.169 -1.607 10.618 1.00 0.00 C ATOM 1722 SD MET A 108 -9.347 -0.960 11.820 1.00 0.00 S ATOM 1723 CE MET A 108 -8.347 -0.959 13.306 1.00 0.00 C ATOM 0 H MET A 108 -6.705 -4.075 11.056 1.00 0.00 H new ATOM 0 HA MET A 108 -9.492 -3.731 11.753 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.923 -3.202 9.212 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.591 -2.737 9.484 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.209 -1.771 11.108 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.006 -0.863 9.838 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.979 -0.755 14.170 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.872 -1.933 13.425 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.580 -0.188 13.228 1.00 0.00 H new ATOM 1733 N MET A 109 -8.453 -6.211 9.927 1.00 0.00 N ATOM 1734 CA MET A 109 -8.877 -7.440 9.283 1.00 0.00 C ATOM 1735 C MET A 109 -9.773 -8.230 10.227 1.00 0.00 C ATOM 1736 O MET A 109 -10.736 -8.868 9.800 1.00 0.00 O ATOM 1737 CB MET A 109 -7.669 -8.291 8.889 1.00 0.00 C ATOM 1738 CG MET A 109 -6.749 -8.615 10.052 1.00 0.00 C ATOM 1739 SD MET A 109 -7.224 -10.126 10.913 1.00 0.00 S ATOM 1740 CE MET A 109 -5.642 -10.956 11.038 1.00 0.00 C ATOM 0 H MET A 109 -7.446 -6.127 10.068 1.00 0.00 H new ATOM 0 HA MET A 109 -9.430 -7.184 8.379 1.00 0.00 H new ATOM 0 HB2 MET A 109 -8.020 -9.222 8.444 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.100 -7.766 8.122 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.728 -8.716 9.685 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.754 -7.783 10.756 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.771 -11.910 11.549 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.243 -11.131 10.039 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.948 -10.333 11.602 1.00 0.00 H new ATOM 1750 N SER A 110 -9.453 -8.175 11.521 1.00 0.00 N ATOM 1751 CA SER A 110 -10.239 -8.879 12.527 1.00 0.00 C ATOM 1752 C SER A 110 -11.702 -8.447 12.466 1.00 0.00 C ATOM 1753 O SER A 110 -12.593 -9.173 12.907 1.00 0.00 O ATOM 1754 CB SER A 110 -9.674 -8.615 13.924 1.00 0.00 C ATOM 1755 OG SER A 110 -8.588 -9.479 14.207 1.00 0.00 O ATOM 0 H SER A 110 -8.659 -7.653 11.892 1.00 0.00 H new ATOM 0 HA SER A 110 -10.182 -9.947 12.318 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.346 -7.578 13.997 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.457 -8.755 14.669 1.00 0.00 H new ATOM 0 HG SER A 110 -8.139 -9.724 13.371 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.940 -7.261 11.913 1.00 0.00 N ATOM 1762 CA VAL A 111 -13.290 -6.728 11.791 1.00 0.00 C ATOM 1763 C VAL A 111 -14.035 -7.377 10.624 1.00 0.00 C ATOM 1764 O VAL A 111 -15.222 -7.680 10.729 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.267 -5.195 11.607 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.665 -4.655 11.335 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.663 -4.525 12.833 1.00 0.00 C ATOM 0 H VAL A 111 -11.212 -6.651 11.542 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.817 -6.962 12.716 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.645 -4.965 10.742 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.619 -3.573 11.210 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -15.060 -5.109 10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.318 -4.896 12.174 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.653 -3.445 12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.260 -4.769 13.712 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.643 -4.881 12.977 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.332 -7.593 9.515 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.940 -8.214 8.341 1.00 0.00 C ATOM 1779 C HIS A 112 -14.043 -9.726 8.528 1.00 0.00 C ATOM 1780 O HIS A 112 -14.954 -10.367 8.006 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.136 -7.885 7.076 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.904 -8.718 6.896 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.636 -8.197 6.961 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.750 -10.042 6.669 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -9.753 -9.165 6.789 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -10.404 -10.295 6.611 1.00 0.00 N ATOM 0 H HIS A 112 -12.348 -7.349 9.404 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.946 -7.810 8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.780 -8.016 6.206 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.849 -6.834 7.105 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -12.542 -10.767 6.554 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.679 -9.049 6.794 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.977 -11.208 6.456 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.099 -10.285 9.278 1.00 0.00 N ATOM 1796 CA ARG A 113 -13.076 -11.718 9.537 1.00 0.00 C ATOM 1797 C ARG A 113 -13.986 -12.077 10.709 1.00 0.00 C ATOM 1798 O ARG A 113 -14.508 -13.188 10.783 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.647 -12.183 9.826 1.00 0.00 C ATOM 1800 CG ARG A 113 -11.484 -13.693 9.816 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.116 -14.103 9.295 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.178 -15.321 8.492 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.481 -16.520 8.986 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -10.751 -16.665 10.277 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -10.515 -17.577 8.185 1.00 0.00 N ATOM 0 H ARG A 113 -12.339 -9.765 9.717 1.00 0.00 H new ATOM 0 HA ARG A 113 -13.444 -12.227 8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.976 -11.749 9.085 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.339 -11.799 10.799 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.621 -14.081 10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.260 -14.140 9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.700 -13.294 8.695 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -9.439 -14.257 10.136 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.978 -15.249 7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.727 -15.855 10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -10.982 -17.586 10.649 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.309 -17.471 7.192 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.747 -18.496 8.563 1.00 0.00 H new ATOM 1819 N GLY A 114 -14.169 -11.129 11.625 1.00 0.00 N ATOM 1820 CA GLY A 114 -15.014 -11.370 12.780 1.00 0.00 C ATOM 1821 C GLY A 114 -16.283 -10.541 12.758 1.00 0.00 C ATOM 1822 O GLY A 114 -17.384 -11.073 12.896 1.00 0.00 O ATOM 0 H GLY A 114 -13.748 -10.201 11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -15.276 -12.427 12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -14.454 -11.146 13.688 1.00 0.00 H new ATOM 1826 N GLU A 115 -16.129 -9.232 12.585 1.00 0.00 N ATOM 1827 CA GLU A 115 -17.271 -8.326 12.546 1.00 0.00 C ATOM 1828 C GLU A 115 -17.872 -8.265 11.144 1.00 0.00 C ATOM 1829 O GLU A 115 -17.974 -7.194 10.546 1.00 0.00 O ATOM 1830 CB GLU A 115 -16.853 -6.925 12.998 1.00 0.00 C ATOM 1831 CG GLU A 115 -16.965 -6.712 14.499 1.00 0.00 C ATOM 1832 CD GLU A 115 -17.487 -5.333 14.854 1.00 0.00 C ATOM 1833 OE1 GLU A 115 -18.371 -4.829 14.130 1.00 0.00 O ATOM 1834 OE2 GLU A 115 -17.011 -4.758 15.855 1.00 0.00 O ATOM 0 H GLU A 115 -15.224 -8.775 12.470 1.00 0.00 H new ATOM 0 HA GLU A 115 -18.030 -8.709 13.229 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -15.823 -6.745 12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.472 -6.188 12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.628 -7.467 14.921 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -15.986 -6.855 14.957 1.00 0.00 H new ATOM 1841 N VAL A 116 -18.269 -9.423 10.627 1.00 0.00 N ATOM 1842 CA VAL A 116 -18.860 -9.503 9.297 1.00 0.00 C ATOM 1843 C VAL A 116 -20.118 -10.371 9.308 1.00 0.00 C ATOM 1844 O VAL A 116 -20.137 -11.439 9.920 1.00 0.00 O ATOM 1845 CB VAL A 116 -17.859 -10.074 8.273 1.00 0.00 C ATOM 1846 CG1 VAL A 116 -17.435 -11.482 8.662 1.00 0.00 C ATOM 1847 CG2 VAL A 116 -18.453 -10.055 6.872 1.00 0.00 C ATOM 0 H VAL A 116 -18.192 -10.319 11.109 1.00 0.00 H new ATOM 0 HA VAL A 116 -19.126 -8.488 9.003 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.972 -9.441 8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -16.729 -11.866 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.961 -11.461 9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.311 -12.130 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -17.730 -10.462 6.165 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -19.360 -10.660 6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -18.695 -9.029 6.593 1.00 0.00 H new ATOM 1857 N PRO A 117 -21.191 -9.926 8.628 1.00 0.00 N ATOM 1858 CA PRO A 117 -22.451 -10.674 8.568 1.00 0.00 C ATOM 1859 C PRO A 117 -22.324 -11.956 7.752 1.00 0.00 C ATOM 1860 O PRO A 117 -22.819 -13.009 8.152 1.00 0.00 O ATOM 1861 CB PRO A 117 -23.415 -9.699 7.887 1.00 0.00 C ATOM 1862 CG PRO A 117 -22.539 -8.798 7.087 1.00 0.00 C ATOM 1863 CD PRO A 117 -21.261 -8.663 7.868 1.00 0.00 C ATOM 0 HA PRO A 117 -22.780 -10.996 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -24.127 -10.225 7.252 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -23.995 -9.139 8.620 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -22.350 -9.215 6.098 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -23.010 -7.826 6.939 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -20.400 -8.541 7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -21.283 -7.797 8.529 1.00 0.00 H new ATOM 1871 N CYS A 118 -21.658 -11.857 6.606 1.00 0.00 N ATOM 1872 CA CYS A 118 -21.466 -13.010 5.733 1.00 0.00 C ATOM 1873 C CYS A 118 -20.443 -13.975 6.323 1.00 0.00 C ATOM 1874 O CYS A 118 -19.283 -13.997 5.909 1.00 0.00 O ATOM 1875 CB CYS A 118 -21.013 -12.555 4.345 1.00 0.00 C ATOM 1876 SG CYS A 118 -22.356 -11.962 3.288 1.00 0.00 S ATOM 0 H CYS A 118 -21.243 -10.992 6.260 1.00 0.00 H new ATOM 0 HA CYS A 118 -22.420 -13.530 5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -20.276 -11.760 4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -20.513 -13.386 3.847 1.00 0.00 H new ATOM 0 HG CYS A 118 -21.874 -11.598 2.137 1.00 0.00 H new ATOM 1882 N THR A 119 -20.879 -14.772 7.293 1.00 0.00 N ATOM 1883 CA THR A 119 -20.001 -15.739 7.940 1.00 0.00 C ATOM 1884 C THR A 119 -19.883 -17.010 7.106 1.00 0.00 C ATOM 1885 O THR A 119 -20.446 -17.103 6.015 1.00 0.00 O ATOM 1886 CB THR A 119 -20.525 -16.080 9.337 1.00 0.00 C ATOM 1887 OG1 THR A 119 -21.940 -16.036 9.366 1.00 0.00 O ATOM 1888 CG2 THR A 119 -20.013 -15.144 10.412 1.00 0.00 C ATOM 0 H THR A 119 -21.835 -14.767 7.648 1.00 0.00 H new ATOM 0 HA THR A 119 -19.011 -15.291 8.029 1.00 0.00 H new ATOM 0 HB THR A 119 -20.158 -17.084 9.547 1.00 0.00 H new ATOM 0 HG1 THR A 119 -22.297 -16.451 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 119 -20.422 -15.441 11.378 1.00 0.00 H new ATOM 0 HG22 THR A 119 -18.925 -15.192 10.448 1.00 0.00 H new ATOM 0 HG23 THR A 119 -20.323 -14.124 10.185 1.00 0.00 H new ATOM 1896 N VAL A 120 -19.147 -17.988 7.626 1.00 0.00 N ATOM 1897 CA VAL A 120 -18.956 -19.254 6.930 1.00 0.00 C ATOM 1898 C VAL A 120 -18.341 -20.301 7.855 1.00 0.00 C ATOM 1899 O VAL A 120 -18.670 -21.496 7.695 1.00 0.00 O ATOM 1900 CB VAL A 120 -18.057 -19.079 5.688 1.00 0.00 C ATOM 1901 CG1 VAL A 120 -16.673 -18.584 6.086 1.00 0.00 C ATOM 1902 CG2 VAL A 120 -17.964 -20.382 4.904 1.00 0.00 C ATOM 1903 OXT VAL A 120 -17.539 -19.918 8.732 1.00 0.00 O ATOM 0 H VAL A 120 -18.673 -17.927 8.527 1.00 0.00 H new ATOM 0 HA VAL A 120 -19.940 -19.595 6.609 1.00 0.00 H new ATOM 0 HB VAL A 120 -18.510 -18.326 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -16.058 -18.468 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -16.762 -17.623 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -16.207 -19.306 6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -17.326 -20.237 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -17.540 -21.159 5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -18.960 -20.683 4.579 1.00 0.00 H new TER 1913 VAL A 120