USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 631 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 43 ASN : amide:sc= -3.59 K(o=-3.3,f=0.44) USER MOD Set 1.2: A 48 SER OG : rot -15:sc= 0.245 USER MOD Single : A 15 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.1!) USER MOD Single : A 17 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.35) USER MOD Single : A 18 LYS NZ :NH3+ 150:sc= -0.722 (180deg=-0.835) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.855 USER MOD Single : A 24 TYR OH : rot 177:sc= 0.0367 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -2.66! C(o=-2.7!,f=-3.4!) USER MOD Single : A 28 ASN : amide:sc= -6.74! C(o=-6.7!,f=-7.7!) USER MOD Single : A 33 ASN : amide:sc= -0.0389 K(o=-0.039,f=-1.5!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 54 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.41) USER MOD Single : A 55 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.4) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0592 (180deg=-0.494) USER MOD Single : A 58 ASN : amide:sc= -0.0768 K(o=-0.077,f=-2.2!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.494 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0244 (180deg=-0.398) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 11:sc= 0.0477 USER MOD Single : A 72 SER OG : rot -100:sc= 1.16 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 176:sc= 0 (180deg=-0.00994) USER MOD Single : A 81 GLN : amide:sc= -4.76! C(o=-4.8!,f=-3.6!) USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= -0.0194 (180deg=-0.34) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -8.172 11.704 -11.629 1.00 0.00 N ATOM 12 CA PHE A 13 -9.131 10.803 -10.928 1.00 0.00 C ATOM 13 C PHE A 13 -8.373 9.655 -10.266 1.00 0.00 C ATOM 14 O PHE A 13 -8.660 9.271 -9.149 1.00 0.00 O ATOM 15 CB PHE A 13 -10.124 10.232 -11.944 1.00 0.00 C ATOM 16 CG PHE A 13 -11.172 9.422 -11.216 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.179 10.073 -10.495 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.134 8.022 -11.259 1.00 0.00 C ATOM 19 CE1 PHE A 13 -13.150 9.326 -9.818 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.104 7.275 -10.582 1.00 0.00 C ATOM 21 CZ PHE A 13 -13.112 7.927 -9.860 1.00 0.00 C ATOM 0 HA PHE A 13 -9.666 11.370 -10.166 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.596 11.040 -12.503 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.602 9.606 -12.668 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.207 11.152 -10.461 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.356 7.520 -11.815 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.928 9.829 -9.263 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.076 6.196 -10.616 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.860 7.351 -9.336 1.00 0.00 H new ATOM 31 N PHE A 14 -7.426 9.092 -10.964 1.00 0.00 N ATOM 32 CA PHE A 14 -6.641 7.954 -10.408 1.00 0.00 C ATOM 33 C PHE A 14 -5.478 8.494 -9.576 1.00 0.00 C ATOM 34 O PHE A 14 -4.995 7.838 -8.671 1.00 0.00 O ATOM 35 CB PHE A 14 -6.090 7.107 -11.565 1.00 0.00 C ATOM 36 CG PHE A 14 -7.216 6.319 -12.193 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.648 5.126 -11.599 1.00 0.00 C ATOM 38 CD2 PHE A 14 -7.827 6.778 -13.365 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.690 4.393 -12.180 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.869 6.045 -13.946 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.301 4.852 -13.353 1.00 0.00 C ATOM 0 H PHE A 14 -7.160 9.375 -11.907 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.284 7.341 -9.777 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.622 7.750 -12.310 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.318 6.430 -11.199 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.178 4.772 -10.694 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.495 7.698 -13.822 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.023 3.473 -11.723 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.339 6.400 -14.851 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.105 4.286 -13.800 1.00 0.00 H new ATOM 51 N ASN A 15 -5.014 9.674 -9.895 1.00 0.00 N ATOM 52 CA ASN A 15 -3.864 10.269 -9.154 1.00 0.00 C ATOM 53 C ASN A 15 -4.243 10.483 -7.686 1.00 0.00 C ATOM 54 O ASN A 15 -3.479 10.176 -6.788 1.00 0.00 O ATOM 55 CB ASN A 15 -3.514 11.625 -9.781 1.00 0.00 C ATOM 56 CG ASN A 15 -2.178 12.117 -9.225 1.00 0.00 C ATOM 57 OD1 ASN A 15 -1.722 11.644 -8.203 1.00 0.00 O ATOM 58 ND2 ASN A 15 -1.524 13.055 -9.857 1.00 0.00 N ATOM 0 H ASN A 15 -5.387 10.256 -10.645 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.010 9.594 -9.212 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.456 11.532 -10.865 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.299 12.350 -9.565 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.632 13.389 -9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.905 13.453 -10.715 1.00 0.00 H new ATOM 65 N GLU A 16 -5.414 11.010 -7.445 1.00 0.00 N ATOM 66 CA GLU A 16 -5.860 11.264 -6.045 1.00 0.00 C ATOM 67 C GLU A 16 -6.034 9.937 -5.310 1.00 0.00 C ATOM 68 O GLU A 16 -5.743 9.828 -4.135 1.00 0.00 O ATOM 69 CB GLU A 16 -7.196 12.027 -6.065 1.00 0.00 C ATOM 70 CG GLU A 16 -8.247 11.223 -6.838 1.00 0.00 C ATOM 71 CD GLU A 16 -9.552 12.022 -6.940 1.00 0.00 C ATOM 72 OE1 GLU A 16 -9.476 13.226 -7.109 1.00 0.00 O ATOM 73 OE2 GLU A 16 -10.605 11.408 -6.854 1.00 0.00 O ATOM 0 H GLU A 16 -6.086 11.277 -8.165 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.109 11.861 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.539 12.204 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.060 13.004 -6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.876 10.989 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.431 10.273 -6.336 1.00 0.00 H new ATOM 80 N GLN A 17 -6.514 8.936 -5.995 1.00 0.00 N ATOM 81 CA GLN A 17 -6.730 7.605 -5.356 1.00 0.00 C ATOM 82 C GLN A 17 -5.394 7.025 -4.889 1.00 0.00 C ATOM 83 O GLN A 17 -5.293 6.473 -3.809 1.00 0.00 O ATOM 84 CB GLN A 17 -7.352 6.652 -6.387 1.00 0.00 C ATOM 85 CG GLN A 17 -8.767 7.118 -6.741 1.00 0.00 C ATOM 86 CD GLN A 17 -9.669 6.998 -5.511 1.00 0.00 C ATOM 87 OE1 GLN A 17 -9.734 5.956 -4.890 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.368 8.031 -5.126 1.00 0.00 N ATOM 0 H GLN A 17 -6.769 8.983 -6.981 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.392 7.721 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.735 6.621 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.383 5.639 -5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.744 8.151 -7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.166 6.516 -7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.314 8.906 -5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.968 7.963 -4.304 1.00 0.00 H new ATOM 97 N LYS A 18 -4.377 7.134 -5.705 1.00 0.00 N ATOM 98 CA LYS A 18 -3.037 6.582 -5.344 1.00 0.00 C ATOM 99 C LYS A 18 -2.465 7.322 -4.133 1.00 0.00 C ATOM 100 O LYS A 18 -1.855 6.724 -3.266 1.00 0.00 O ATOM 101 CB LYS A 18 -2.083 6.743 -6.533 1.00 0.00 C ATOM 102 CG LYS A 18 -2.522 5.818 -7.671 1.00 0.00 C ATOM 103 CD LYS A 18 -1.561 5.969 -8.853 1.00 0.00 C ATOM 104 CE LYS A 18 -1.942 4.980 -9.959 1.00 0.00 C ATOM 105 NZ LYS A 18 -3.118 5.503 -10.710 1.00 0.00 N ATOM 0 H LYS A 18 -4.419 7.588 -6.617 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.146 5.526 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.080 7.779 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.064 6.505 -6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.534 4.783 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.538 6.063 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.598 6.989 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.537 5.788 -8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.101 4.833 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.176 4.007 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.078 5.169 -11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.994 5.163 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.104 6.543 -10.696 1.00 0.00 H new ATOM 119 N GLU A 19 -2.643 8.618 -4.080 1.00 0.00 N ATOM 120 CA GLU A 19 -2.101 9.412 -2.937 1.00 0.00 C ATOM 121 C GLU A 19 -2.772 8.964 -1.639 1.00 0.00 C ATOM 122 O GLU A 19 -2.138 8.865 -0.605 1.00 0.00 O ATOM 123 CB GLU A 19 -2.394 10.900 -3.171 1.00 0.00 C ATOM 124 CG GLU A 19 -1.608 11.400 -4.387 1.00 0.00 C ATOM 125 CD GLU A 19 -0.107 11.362 -4.086 1.00 0.00 C ATOM 126 OE1 GLU A 19 0.245 11.358 -2.918 1.00 0.00 O ATOM 127 OE2 GLU A 19 0.665 11.338 -5.031 1.00 0.00 O ATOM 0 H GLU A 19 -3.143 9.162 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.025 9.255 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.462 11.049 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.120 11.477 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.830 10.779 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.913 12.417 -4.636 1.00 0.00 H new ATOM 134 N LYS A 20 -4.051 8.695 -1.692 1.00 0.00 N ATOM 135 CA LYS A 20 -4.790 8.252 -0.474 1.00 0.00 C ATOM 136 C LYS A 20 -4.231 6.914 0.009 1.00 0.00 C ATOM 137 O LYS A 20 -4.050 6.698 1.192 1.00 0.00 O ATOM 138 CB LYS A 20 -6.278 8.083 -0.814 1.00 0.00 C ATOM 139 CG LYS A 20 -6.910 9.455 -1.063 1.00 0.00 C ATOM 140 CD LYS A 20 -8.399 9.287 -1.386 1.00 0.00 C ATOM 141 CE LYS A 20 -9.032 10.661 -1.626 1.00 0.00 C ATOM 142 NZ LYS A 20 -10.474 10.493 -1.967 1.00 0.00 N ATOM 0 H LYS A 20 -4.620 8.764 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.673 9.000 0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.390 7.455 -1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.793 7.578 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.788 10.087 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.403 9.955 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.521 8.660 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.905 8.781 -0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.928 11.281 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.514 11.175 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.903 11.426 -2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.562 9.916 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.964 10.019 -1.181 1.00 0.00 H new ATOM 156 N VAL A 21 -3.964 6.018 -0.904 1.00 0.00 N ATOM 157 CA VAL A 21 -3.425 4.677 -0.532 1.00 0.00 C ATOM 158 C VAL A 21 -2.045 4.840 0.104 1.00 0.00 C ATOM 159 O VAL A 21 -1.727 4.202 1.091 1.00 0.00 O ATOM 160 CB VAL A 21 -3.301 3.816 -1.797 1.00 0.00 C ATOM 161 CG1 VAL A 21 -2.636 2.484 -1.445 1.00 0.00 C ATOM 162 CG2 VAL A 21 -4.695 3.555 -2.374 1.00 0.00 C ATOM 0 H VAL A 21 -4.098 6.161 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.098 4.197 0.178 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.694 4.340 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.548 1.873 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.644 2.670 -1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.242 1.959 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.608 2.944 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.302 3.031 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.168 4.504 -2.625 1.00 0.00 H new ATOM 172 N THR A 22 -1.226 5.680 -0.470 1.00 0.00 N ATOM 173 CA THR A 22 0.149 5.899 0.061 1.00 0.00 C ATOM 174 C THR A 22 0.072 6.458 1.482 1.00 0.00 C ATOM 175 O THR A 22 0.811 6.051 2.360 1.00 0.00 O ATOM 176 CB THR A 22 0.882 6.902 -0.842 1.00 0.00 C ATOM 177 OG1 THR A 22 0.729 6.511 -2.200 1.00 0.00 O ATOM 178 CG2 THR A 22 2.366 6.922 -0.483 1.00 0.00 C ATOM 0 H THR A 22 -1.456 6.231 -1.297 1.00 0.00 H new ATOM 0 HA THR A 22 0.688 4.952 0.077 1.00 0.00 H new ATOM 0 HB THR A 22 0.461 7.897 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.162 6.770 -2.517 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.886 7.634 -1.124 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.484 7.219 0.559 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.789 5.928 -0.627 1.00 0.00 H new ATOM 186 N LEU A 23 -0.807 7.399 1.701 1.00 0.00 N ATOM 187 CA LEU A 23 -0.943 8.015 3.048 1.00 0.00 C ATOM 188 C LEU A 23 -1.366 6.950 4.058 1.00 0.00 C ATOM 189 O LEU A 23 -0.892 6.917 5.179 1.00 0.00 O ATOM 190 CB LEU A 23 -2.015 9.115 2.989 1.00 0.00 C ATOM 191 CG LEU A 23 -2.206 9.743 4.377 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.866 10.292 4.891 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.227 10.884 4.286 1.00 0.00 C ATOM 0 H LEU A 23 -1.443 7.770 0.995 1.00 0.00 H new ATOM 0 HA LEU A 23 0.012 8.443 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.721 9.882 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.958 8.696 2.638 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.569 8.982 5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.009 10.736 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.143 9.480 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.495 11.050 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.363 11.330 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.865 11.642 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.180 10.492 3.931 1.00 0.00 H new ATOM 205 N TYR A 24 -2.268 6.093 3.666 1.00 0.00 N ATOM 206 CA TYR A 24 -2.756 5.023 4.578 1.00 0.00 C ATOM 207 C TYR A 24 -1.585 4.133 4.997 1.00 0.00 C ATOM 208 O TYR A 24 -1.427 3.808 6.157 1.00 0.00 O ATOM 209 CB TYR A 24 -3.804 4.178 3.838 1.00 0.00 C ATOM 210 CG TYR A 24 -4.161 2.967 4.668 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.098 3.076 5.700 1.00 0.00 C ATOM 212 CD2 TYR A 24 -3.546 1.736 4.406 1.00 0.00 C ATOM 213 CE1 TYR A 24 -5.422 1.953 6.470 1.00 0.00 C ATOM 214 CE2 TYR A 24 -3.871 0.613 5.175 1.00 0.00 C ATOM 215 CZ TYR A 24 -4.810 0.721 6.207 1.00 0.00 C ATOM 216 OH TYR A 24 -5.132 -0.385 6.966 1.00 0.00 O ATOM 0 H TYR A 24 -2.693 6.090 2.739 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.202 5.470 5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.696 4.774 3.645 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.415 3.865 2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.571 4.025 5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.821 1.654 3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.145 2.037 7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.398 -0.336 4.972 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.655 -1.168 6.621 1.00 0.00 H new ATOM 226 N LEU A 25 -0.773 3.735 4.053 1.00 0.00 N ATOM 227 CA LEU A 25 0.394 2.857 4.364 1.00 0.00 C ATOM 228 C LEU A 25 1.380 3.578 5.275 1.00 0.00 C ATOM 229 O LEU A 25 1.944 2.991 6.179 1.00 0.00 O ATOM 230 CB LEU A 25 1.117 2.494 3.057 1.00 0.00 C ATOM 231 CG LEU A 25 0.280 1.492 2.254 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.837 1.391 0.830 1.00 0.00 C ATOM 233 CD2 LEU A 25 0.336 0.106 2.927 1.00 0.00 C ATOM 0 H LEU A 25 -0.870 3.984 3.069 1.00 0.00 H new ATOM 0 HA LEU A 25 0.029 1.960 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.289 3.393 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.095 2.067 3.279 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.755 1.832 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.243 0.679 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.792 2.369 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.873 1.053 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.261 -0.602 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.370 -0.238 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.061 0.177 3.940 1.00 0.00 H new ATOM 245 N LYS A 26 1.615 4.831 5.018 1.00 0.00 N ATOM 246 CA LYS A 26 2.595 5.599 5.830 1.00 0.00 C ATOM 247 C LYS A 26 2.142 5.654 7.288 1.00 0.00 C ATOM 248 O LYS A 26 2.943 5.561 8.198 1.00 0.00 O ATOM 249 CB LYS A 26 2.697 7.032 5.280 1.00 0.00 C ATOM 250 CG LYS A 26 4.022 7.656 5.731 1.00 0.00 C ATOM 251 CD LYS A 26 4.195 9.031 5.083 1.00 0.00 C ATOM 252 CE LYS A 26 5.539 9.630 5.507 1.00 0.00 C ATOM 253 NZ LYS A 26 5.734 10.942 4.827 1.00 0.00 N ATOM 0 H LYS A 26 1.165 5.362 4.272 1.00 0.00 H new ATOM 0 HA LYS A 26 3.566 5.107 5.775 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.639 7.021 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.860 7.631 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.039 7.751 6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.853 7.007 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.151 8.941 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.380 9.691 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.566 9.761 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.350 8.950 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.647 11.350 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.726 10.803 3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.966 11.590 5.095 1.00 0.00 H new ATOM 267 N HIS A 27 0.869 5.837 7.504 1.00 0.00 N ATOM 268 CA HIS A 27 0.336 5.935 8.893 1.00 0.00 C ATOM 269 C HIS A 27 0.021 4.542 9.444 1.00 0.00 C ATOM 270 O HIS A 27 0.011 4.336 10.642 1.00 0.00 O ATOM 271 CB HIS A 27 -0.944 6.782 8.877 1.00 0.00 C ATOM 272 CG HIS A 27 -0.585 8.229 8.660 1.00 0.00 C ATOM 273 ND1 HIS A 27 0.517 8.811 9.265 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.176 9.224 7.921 1.00 0.00 C ATOM 275 CE1 HIS A 27 0.555 10.101 8.883 1.00 0.00 C ATOM 276 NE2 HIS A 27 -0.454 10.405 8.063 1.00 0.00 N ATOM 0 H HIS A 27 0.167 5.924 6.769 1.00 0.00 H new ATOM 0 HA HIS A 27 1.086 6.401 9.533 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.610 6.439 8.086 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.481 6.667 9.818 1.00 0.00 H new ATOM 0 HD1 HIS A 27 1.179 8.347 9.887 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.066 9.108 7.321 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.310 10.805 9.201 1.00 0.00 H new ATOM 284 N ASN A 28 -0.242 3.589 8.585 1.00 0.00 N ATOM 285 CA ASN A 28 -0.567 2.206 9.062 1.00 0.00 C ATOM 286 C ASN A 28 0.693 1.344 9.002 1.00 0.00 C ATOM 287 O ASN A 28 0.733 0.254 9.536 1.00 0.00 O ATOM 288 CB ASN A 28 -1.644 1.595 8.160 1.00 0.00 C ATOM 289 CG ASN A 28 -2.964 2.345 8.357 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.296 3.225 7.590 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.737 2.025 9.359 1.00 0.00 N ATOM 0 H ASN A 28 -0.246 3.708 7.572 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.934 2.250 10.087 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.334 1.652 7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.775 0.539 8.397 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.621 2.515 9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.457 1.285 10.003 1.00 0.00 H new ATOM 298 N ILE A 29 1.721 1.837 8.363 1.00 0.00 N ATOM 299 CA ILE A 29 3.002 1.078 8.258 1.00 0.00 C ATOM 300 C ILE A 29 4.165 2.082 8.219 1.00 0.00 C ATOM 301 O ILE A 29 4.592 2.515 7.165 1.00 0.00 O ATOM 302 CB ILE A 29 3.005 0.242 6.980 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.715 -0.585 6.912 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.216 -0.699 6.992 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.804 -1.611 5.777 1.00 0.00 C ATOM 0 H ILE A 29 1.727 2.747 7.903 1.00 0.00 H new ATOM 0 HA ILE A 29 3.110 0.413 9.115 1.00 0.00 H new ATOM 0 HB ILE A 29 3.063 0.899 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.551 -1.095 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.861 0.073 6.752 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.221 -1.297 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.133 -0.112 7.045 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.156 -1.358 7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.883 -2.192 5.739 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.946 -1.093 4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.647 -2.279 5.955 1.00 0.00 H new ATOM 317 N PRO A 30 4.673 2.455 9.367 1.00 0.00 N ATOM 318 CA PRO A 30 5.806 3.425 9.475 1.00 0.00 C ATOM 319 C PRO A 30 7.016 2.991 8.642 1.00 0.00 C ATOM 320 O PRO A 30 7.773 3.809 8.156 1.00 0.00 O ATOM 321 CB PRO A 30 6.153 3.413 10.976 1.00 0.00 C ATOM 322 CG PRO A 30 4.904 2.961 11.659 1.00 0.00 C ATOM 323 CD PRO A 30 4.219 1.999 10.693 1.00 0.00 C ATOM 0 HA PRO A 30 5.536 4.412 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.983 2.737 11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.454 4.403 11.319 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.133 2.468 12.604 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.258 3.808 11.890 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.510 0.966 10.883 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.134 2.046 10.783 1.00 0.00 H new ATOM 331 N ASP A 31 7.199 1.706 8.491 1.00 0.00 N ATOM 332 CA ASP A 31 8.358 1.189 7.710 1.00 0.00 C ATOM 333 C ASP A 31 8.052 1.300 6.216 1.00 0.00 C ATOM 334 O ASP A 31 8.807 0.836 5.382 1.00 0.00 O ATOM 335 CB ASP A 31 8.599 -0.279 8.085 1.00 0.00 C ATOM 336 CG ASP A 31 9.086 -0.363 9.533 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.477 0.662 10.066 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.057 -1.451 10.086 1.00 0.00 O ATOM 0 H ASP A 31 6.589 0.987 8.879 1.00 0.00 H new ATOM 0 HA ASP A 31 9.250 1.773 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.679 -0.851 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.338 -0.720 7.416 1.00 0.00 H new ATOM 343 N PHE A 32 6.946 1.914 5.880 1.00 0.00 N ATOM 344 CA PHE A 32 6.560 2.073 4.449 1.00 0.00 C ATOM 345 C PHE A 32 7.612 2.892 3.714 1.00 0.00 C ATOM 346 O PHE A 32 8.011 3.957 4.145 1.00 0.00 O ATOM 347 CB PHE A 32 5.203 2.784 4.360 1.00 0.00 C ATOM 348 CG PHE A 32 4.896 3.121 2.916 1.00 0.00 C ATOM 349 CD1 PHE A 32 4.674 2.093 1.992 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.837 4.459 2.500 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.393 2.401 0.657 1.00 0.00 C ATOM 352 CE2 PHE A 32 4.554 4.765 1.164 1.00 0.00 C ATOM 353 CZ PHE A 32 4.333 3.735 0.242 1.00 0.00 C ATOM 0 H PHE A 32 6.287 2.316 6.547 1.00 0.00 H new ATOM 0 HA PHE A 32 6.488 1.088 3.988 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.420 2.146 4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.218 3.694 4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.720 1.062 2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.010 5.253 3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.222 1.607 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.506 5.796 0.844 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.116 3.971 -0.789 1.00 0.00 H new ATOM 363 N ASN A 33 8.046 2.393 2.590 1.00 0.00 N ATOM 364 CA ASN A 33 9.066 3.105 1.770 1.00 0.00 C ATOM 365 C ASN A 33 8.389 3.671 0.522 1.00 0.00 C ATOM 366 O ASN A 33 8.451 4.856 0.256 1.00 0.00 O ATOM 367 CB ASN A 33 10.150 2.111 1.348 1.00 0.00 C ATOM 368 CG ASN A 33 11.317 2.871 0.723 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.587 3.998 1.088 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.027 2.300 -0.211 1.00 0.00 N ATOM 0 H ASN A 33 7.731 1.506 2.198 1.00 0.00 H new ATOM 0 HA ASN A 33 9.513 3.913 2.348 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.493 1.541 2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.744 1.394 0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.809 2.800 -0.635 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.800 1.354 -0.517 1.00 0.00 H new ATOM 377 N THR A 34 7.746 2.821 -0.242 1.00 0.00 N ATOM 378 CA THR A 34 7.057 3.284 -1.480 1.00 0.00 C ATOM 379 C THR A 34 6.032 2.244 -1.925 1.00 0.00 C ATOM 380 O THR A 34 6.032 1.115 -1.469 1.00 0.00 O ATOM 381 CB THR A 34 8.082 3.495 -2.598 1.00 0.00 C ATOM 382 OG1 THR A 34 7.399 3.817 -3.803 1.00 0.00 O ATOM 383 CG2 THR A 34 8.909 2.222 -2.805 1.00 0.00 C ATOM 0 H THR A 34 7.670 1.821 -0.057 1.00 0.00 H new ATOM 0 HA THR A 34 6.550 4.226 -1.269 1.00 0.00 H new ATOM 0 HB THR A 34 8.751 4.310 -2.321 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.051 3.955 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.634 2.385 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.434 1.975 -1.882 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.248 1.399 -3.078 1.00 0.00 H new ATOM 391 N VAL A 35 5.157 2.629 -2.822 1.00 0.00 N ATOM 392 CA VAL A 35 4.106 1.694 -3.329 1.00 0.00 C ATOM 393 C VAL A 35 4.133 1.664 -4.854 1.00 0.00 C ATOM 394 O VAL A 35 4.265 2.679 -5.512 1.00 0.00 O ATOM 395 CB VAL A 35 2.731 2.152 -2.836 1.00 0.00 C ATOM 396 CG1 VAL A 35 2.390 3.530 -3.411 1.00 0.00 C ATOM 397 CG2 VAL A 35 1.677 1.137 -3.280 1.00 0.00 C ATOM 0 H VAL A 35 5.127 3.564 -3.229 1.00 0.00 H new ATOM 0 HA VAL A 35 4.303 0.690 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 35 2.746 2.222 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.409 3.842 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.140 4.253 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.377 3.477 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.695 1.457 -2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.673 1.069 -4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.911 0.160 -2.857 1.00 0.00 H new ATOM 407 N THR A 36 4.018 0.484 -5.412 1.00 0.00 N ATOM 408 CA THR A 36 4.040 0.321 -6.897 1.00 0.00 C ATOM 409 C THR A 36 2.722 -0.287 -7.363 1.00 0.00 C ATOM 410 O THR A 36 2.328 -1.361 -6.936 1.00 0.00 O ATOM 411 CB THR A 36 5.190 -0.610 -7.282 1.00 0.00 C ATOM 412 OG1 THR A 36 6.417 -0.049 -6.837 1.00 0.00 O ATOM 413 CG2 THR A 36 5.222 -0.778 -8.801 1.00 0.00 C ATOM 0 H THR A 36 3.908 -0.386 -4.892 1.00 0.00 H new ATOM 0 HA THR A 36 4.178 1.294 -7.369 1.00 0.00 H new ATOM 0 HB THR A 36 5.046 -1.584 -6.815 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.156 -0.644 -7.081 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.042 -1.442 -9.076 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.279 -1.206 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.369 0.194 -9.272 1.00 0.00 H new ATOM 421 N PHE A 37 2.042 0.399 -8.248 1.00 0.00 N ATOM 422 CA PHE A 37 0.742 -0.107 -8.779 1.00 0.00 C ATOM 423 C PHE A 37 0.927 -0.600 -10.210 1.00 0.00 C ATOM 424 O PHE A 37 1.302 0.142 -11.099 1.00 0.00 O ATOM 425 CB PHE A 37 -0.299 1.011 -8.748 1.00 0.00 C ATOM 426 CG PHE A 37 -0.462 1.501 -7.326 1.00 0.00 C ATOM 427 CD1 PHE A 37 -1.086 0.685 -6.374 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.008 2.768 -6.962 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.239 1.139 -5.057 1.00 0.00 C ATOM 430 CE2 PHE A 37 -0.143 3.221 -5.646 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.767 2.406 -4.693 1.00 0.00 C ATOM 0 H PHE A 37 2.337 1.298 -8.628 1.00 0.00 H new ATOM 0 HA PHE A 37 0.398 -0.933 -8.157 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.012 1.832 -9.394 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.252 0.647 -9.131 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.449 -0.293 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.488 3.397 -7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.721 0.511 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.221 4.198 -5.366 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.884 2.755 -3.678 1.00 0.00 H new ATOM 441 N THR A 38 0.654 -1.856 -10.429 1.00 0.00 N ATOM 442 CA THR A 38 0.788 -2.450 -11.790 1.00 0.00 C ATOM 443 C THR A 38 -0.311 -3.500 -11.988 1.00 0.00 C ATOM 444 O THR A 38 -0.814 -3.684 -13.080 1.00 0.00 O ATOM 445 CB THR A 38 2.163 -3.118 -11.926 1.00 0.00 C ATOM 446 OG1 THR A 38 2.117 -4.079 -12.970 1.00 0.00 O ATOM 447 CG2 THR A 38 2.552 -3.811 -10.616 1.00 0.00 C ATOM 0 H THR A 38 0.338 -2.507 -9.710 1.00 0.00 H new ATOM 0 HA THR A 38 0.691 -1.668 -12.543 1.00 0.00 H new ATOM 0 HB THR A 38 2.906 -2.354 -12.155 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.994 -4.506 -13.060 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.530 -4.280 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.593 -3.075 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.810 -4.572 -10.373 1.00 0.00 H new ATOM 455 N ASN A 39 -0.677 -4.190 -10.934 1.00 0.00 N ATOM 456 CA ASN A 39 -1.734 -5.245 -11.032 1.00 0.00 C ATOM 457 C ASN A 39 -3.099 -4.590 -11.284 1.00 0.00 C ATOM 458 O ASN A 39 -3.627 -4.645 -12.376 1.00 0.00 O ATOM 459 CB ASN A 39 -1.785 -6.038 -9.713 1.00 0.00 C ATOM 460 CG ASN A 39 -0.470 -6.798 -9.506 1.00 0.00 C ATOM 461 OD1 ASN A 39 -0.175 -7.234 -8.410 1.00 0.00 O ATOM 462 ND2 ASN A 39 0.336 -6.972 -10.514 1.00 0.00 N ATOM 0 H ASN A 39 -0.284 -4.065 -10.001 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.499 -5.917 -11.857 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.958 -5.359 -8.878 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.620 -6.738 -9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.214 -7.474 -10.384 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.089 -6.606 -11.434 1.00 0.00 H new ATOM 469 N GLU A 40 -3.659 -3.975 -10.269 1.00 0.00 N ATOM 470 CA GLU A 40 -4.987 -3.296 -10.390 1.00 0.00 C ATOM 471 C GLU A 40 -6.056 -4.259 -10.903 1.00 0.00 C ATOM 472 O GLU A 40 -5.783 -5.195 -11.627 1.00 0.00 O ATOM 473 CB GLU A 40 -4.875 -2.091 -11.328 1.00 0.00 C ATOM 474 CG GLU A 40 -6.224 -1.365 -11.397 1.00 0.00 C ATOM 475 CD GLU A 40 -6.094 -0.117 -12.274 1.00 0.00 C ATOM 476 OE1 GLU A 40 -4.973 0.273 -12.555 1.00 0.00 O ATOM 477 OE2 GLU A 40 -7.120 0.428 -12.648 1.00 0.00 O ATOM 0 H GLU A 40 -3.240 -3.915 -9.341 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.285 -2.956 -9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.102 -1.410 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.576 -2.419 -12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.985 -2.030 -11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.549 -1.085 -10.395 1.00 0.00 H new ATOM 484 N GLU A 41 -7.284 -4.016 -10.516 1.00 0.00 N ATOM 485 CA GLU A 41 -8.405 -4.885 -10.954 1.00 0.00 C ATOM 486 C GLU A 41 -9.733 -4.147 -10.776 1.00 0.00 C ATOM 487 O GLU A 41 -9.923 -3.383 -9.847 1.00 0.00 O ATOM 488 CB GLU A 41 -8.414 -6.169 -10.123 1.00 0.00 C ATOM 489 CG GLU A 41 -9.459 -7.134 -10.689 1.00 0.00 C ATOM 490 CD GLU A 41 -9.005 -7.647 -12.060 1.00 0.00 C ATOM 491 OE1 GLU A 41 -7.880 -7.365 -12.439 1.00 0.00 O ATOM 492 OE2 GLU A 41 -9.794 -8.316 -12.708 1.00 0.00 O ATOM 0 H GLU A 41 -7.554 -3.242 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.274 -5.137 -12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.428 -6.633 -10.140 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.641 -5.940 -9.082 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.601 -7.972 -10.006 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.421 -6.630 -10.780 1.00 0.00 H new ATOM 499 N PHE A 42 -10.655 -4.384 -11.675 1.00 0.00 N ATOM 500 CA PHE A 42 -11.989 -3.723 -11.607 1.00 0.00 C ATOM 501 C PHE A 42 -12.967 -4.607 -10.850 1.00 0.00 C ATOM 502 O PHE A 42 -12.977 -5.818 -10.996 1.00 0.00 O ATOM 503 CB PHE A 42 -12.513 -3.483 -13.027 1.00 0.00 C ATOM 504 CG PHE A 42 -11.527 -2.632 -13.794 1.00 0.00 C ATOM 505 CD1 PHE A 42 -11.627 -1.236 -13.751 1.00 0.00 C ATOM 506 CD2 PHE A 42 -10.517 -3.238 -14.549 1.00 0.00 C ATOM 507 CE1 PHE A 42 -10.716 -0.447 -14.462 1.00 0.00 C ATOM 508 CE2 PHE A 42 -9.606 -2.449 -15.260 1.00 0.00 C ATOM 509 CZ PHE A 42 -9.705 -1.052 -15.216 1.00 0.00 C ATOM 0 H PHE A 42 -10.535 -5.018 -12.465 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.890 -2.770 -11.087 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.661 -4.435 -13.537 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.483 -2.988 -12.989 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -12.407 -0.768 -13.169 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.440 -4.315 -14.583 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.793 0.630 -14.429 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.826 -2.917 -15.843 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.001 -0.443 -15.764 1.00 0.00 H new ATOM 519 N ASN A 43 -13.795 -3.998 -10.042 1.00 0.00 N ATOM 520 CA ASN A 43 -14.796 -4.760 -9.251 1.00 0.00 C ATOM 521 C ASN A 43 -16.182 -4.112 -9.408 1.00 0.00 C ATOM 522 O ASN A 43 -16.296 -2.913 -9.585 1.00 0.00 O ATOM 523 CB ASN A 43 -14.397 -4.757 -7.774 1.00 0.00 C ATOM 524 CG ASN A 43 -13.124 -5.586 -7.593 1.00 0.00 C ATOM 525 OD1 ASN A 43 -13.131 -6.587 -6.903 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.027 -5.211 -8.188 1.00 0.00 N ATOM 0 H ASN A 43 -13.817 -2.989 -9.897 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.832 -5.787 -9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.231 -3.735 -7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.203 -5.169 -7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.173 -5.757 -8.075 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.022 -4.371 -8.767 1.00 0.00 H new ATOM 533 N PRO A 44 -17.231 -4.895 -9.330 1.00 0.00 N ATOM 534 CA PRO A 44 -18.628 -4.384 -9.454 1.00 0.00 C ATOM 535 C PRO A 44 -18.882 -3.177 -8.542 1.00 0.00 C ATOM 536 O PRO A 44 -19.623 -2.275 -8.882 1.00 0.00 O ATOM 537 CB PRO A 44 -19.491 -5.577 -9.000 1.00 0.00 C ATOM 538 CG PRO A 44 -18.656 -6.791 -9.252 1.00 0.00 C ATOM 539 CD PRO A 44 -17.200 -6.356 -9.127 1.00 0.00 C ATOM 0 HA PRO A 44 -18.847 -4.041 -10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.753 -5.493 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -20.426 -5.621 -9.559 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.888 -7.576 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -18.854 -7.198 -10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -16.792 -6.612 -8.149 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.574 -6.847 -9.872 1.00 0.00 H new ATOM 547 N ILE A 45 -18.276 -3.173 -7.383 1.00 0.00 N ATOM 548 CA ILE A 45 -18.473 -2.052 -6.422 1.00 0.00 C ATOM 549 C ILE A 45 -17.741 -0.812 -6.929 1.00 0.00 C ATOM 550 O ILE A 45 -17.842 0.256 -6.356 1.00 0.00 O ATOM 551 CB ILE A 45 -17.924 -2.463 -5.049 1.00 0.00 C ATOM 552 CG1 ILE A 45 -16.444 -2.860 -5.170 1.00 0.00 C ATOM 553 CG2 ILE A 45 -18.729 -3.651 -4.517 1.00 0.00 C ATOM 554 CD1 ILE A 45 -15.870 -3.149 -3.779 1.00 0.00 C ATOM 0 H ILE A 45 -17.647 -3.908 -7.060 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.535 -1.824 -6.331 1.00 0.00 H new ATOM 0 HB ILE A 45 -18.011 -1.621 -4.362 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -16.345 -3.740 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -15.880 -2.058 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -18.342 -3.946 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -19.777 -3.366 -4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.643 -4.488 -5.210 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.821 -3.430 -3.870 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.955 -2.257 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.426 -3.966 -3.318 1.00 0.00 H new ATOM 566 N GLY A 46 -17.014 -0.950 -8.007 1.00 0.00 N ATOM 567 CA GLY A 46 -16.275 0.212 -8.583 1.00 0.00 C ATOM 568 C GLY A 46 -14.905 -0.239 -9.076 1.00 0.00 C ATOM 569 O GLY A 46 -14.786 -1.064 -9.962 1.00 0.00 O ATOM 0 H GLY A 46 -16.900 -1.826 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.844 0.644 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.162 0.992 -7.830 1.00 0.00 H new ATOM 573 N ILE A 47 -13.865 0.313 -8.503 1.00 0.00 N ATOM 574 CA ILE A 47 -12.472 -0.046 -8.913 1.00 0.00 C ATOM 575 C ILE A 47 -11.660 -0.468 -7.695 1.00 0.00 C ATOM 576 O ILE A 47 -11.933 -0.074 -6.577 1.00 0.00 O ATOM 577 CB ILE A 47 -11.801 1.163 -9.581 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.764 2.356 -8.615 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.577 1.554 -10.839 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.978 3.505 -9.255 1.00 0.00 C ATOM 0 H ILE A 47 -13.923 1.007 -7.758 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.515 -0.875 -9.619 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.780 0.891 -9.849 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.778 2.680 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.299 2.062 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.098 2.412 -11.310 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.586 0.716 -11.536 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.601 1.813 -10.569 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.951 4.353 -8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.960 3.176 -9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.463 3.804 -10.184 1.00 0.00 H new ATOM 592 N SER A 48 -10.650 -1.266 -7.920 1.00 0.00 N ATOM 593 CA SER A 48 -9.780 -1.737 -6.804 1.00 0.00 C ATOM 594 C SER A 48 -8.315 -1.646 -7.221 1.00 0.00 C ATOM 595 O SER A 48 -7.923 -2.088 -8.286 1.00 0.00 O ATOM 596 CB SER A 48 -10.130 -3.183 -6.458 1.00 0.00 C ATOM 597 OG SER A 48 -9.729 -4.039 -7.522 1.00 0.00 O ATOM 0 H SER A 48 -10.388 -1.616 -8.842 1.00 0.00 H new ATOM 0 HA SER A 48 -9.942 -1.108 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.632 -3.477 -5.534 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.202 -3.277 -6.286 1.00 0.00 H new ATOM 0 HG SER A 48 -9.551 -3.504 -8.323 1.00 0.00 H new ATOM 603 N ILE A 49 -7.507 -1.070 -6.372 1.00 0.00 N ATOM 604 CA ILE A 49 -6.054 -0.917 -6.671 1.00 0.00 C ATOM 605 C ILE A 49 -5.283 -2.079 -6.063 1.00 0.00 C ATOM 606 O ILE A 49 -5.406 -2.380 -4.893 1.00 0.00 O ATOM 607 CB ILE A 49 -5.551 0.405 -6.083 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.242 1.567 -6.803 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.038 0.509 -6.275 1.00 0.00 C ATOM 610 CD1 ILE A 49 -5.940 2.879 -6.076 1.00 0.00 C ATOM 0 H ILE A 49 -7.797 -0.693 -5.470 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.901 -0.913 -7.750 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.780 0.445 -5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.897 1.624 -7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.318 1.398 -6.836 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.682 1.450 -5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.549 -0.322 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.803 0.473 -7.339 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.434 3.703 -6.592 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.307 2.820 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.864 3.050 -6.066 1.00 0.00 H new ATOM 622 N ASP A 50 -4.489 -2.732 -6.871 1.00 0.00 N ATOM 623 CA ASP A 50 -3.686 -3.898 -6.396 1.00 0.00 C ATOM 624 C ASP A 50 -2.217 -3.697 -6.761 1.00 0.00 C ATOM 625 O ASP A 50 -1.883 -3.267 -7.850 1.00 0.00 O ATOM 626 CB ASP A 50 -4.213 -5.173 -7.060 1.00 0.00 C ATOM 627 CG ASP A 50 -3.413 -6.378 -6.556 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.452 -6.168 -5.835 1.00 0.00 O ATOM 629 OD2 ASP A 50 -3.777 -7.490 -6.902 1.00 0.00 O ATOM 0 H ASP A 50 -4.361 -2.502 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.774 -3.985 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.271 -5.304 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.128 -5.094 -8.144 1.00 0.00 H new ATOM 634 N GLY A 51 -1.342 -4.005 -5.841 1.00 0.00 N ATOM 635 CA GLY A 51 0.116 -3.843 -6.095 1.00 0.00 C ATOM 636 C GLY A 51 0.923 -4.338 -4.895 1.00 0.00 C ATOM 637 O GLY A 51 0.508 -5.217 -4.159 1.00 0.00 O ATOM 0 H GLY A 51 -1.579 -4.365 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.400 -4.400 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.344 -2.795 -6.287 1.00 0.00 H new ATOM 641 N TYR A 52 2.090 -3.771 -4.705 1.00 0.00 N ATOM 642 CA TYR A 52 2.968 -4.185 -3.567 1.00 0.00 C ATOM 643 C TYR A 52 3.750 -2.985 -3.039 1.00 0.00 C ATOM 644 O TYR A 52 3.893 -1.973 -3.702 1.00 0.00 O ATOM 645 CB TYR A 52 3.939 -5.271 -4.035 1.00 0.00 C ATOM 646 CG TYR A 52 4.636 -4.838 -5.305 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.834 -4.116 -5.240 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.087 -5.169 -6.551 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.480 -3.723 -6.420 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.732 -4.776 -7.728 1.00 0.00 C ATOM 651 CZ TYR A 52 5.930 -4.053 -7.663 1.00 0.00 C ATOM 652 OH TYR A 52 6.565 -3.665 -8.826 1.00 0.00 O ATOM 0 H TYR A 52 2.474 -3.033 -5.295 1.00 0.00 H new ATOM 0 HA TYR A 52 2.344 -4.578 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.676 -5.470 -3.257 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.399 -6.202 -4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.260 -3.862 -4.281 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.165 -5.728 -6.602 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.403 -3.165 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.306 -5.030 -8.687 1.00 0.00 H new ATOM 0 HH TYR A 52 6.050 -3.976 -9.599 1.00 0.00 H new ATOM 662 N ILE A 53 4.246 -3.099 -1.828 1.00 0.00 N ATOM 663 CA ILE A 53 5.010 -1.975 -1.198 1.00 0.00 C ATOM 664 C ILE A 53 6.434 -2.411 -0.846 1.00 0.00 C ATOM 665 O ILE A 53 6.751 -3.583 -0.796 1.00 0.00 O ATOM 666 CB ILE A 53 4.289 -1.523 0.079 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.242 -2.668 1.110 1.00 0.00 C ATOM 668 CG2 ILE A 53 2.853 -1.098 -0.264 1.00 0.00 C ATOM 669 CD1 ILE A 53 3.696 -2.149 2.451 1.00 0.00 C ATOM 0 H ILE A 53 4.153 -3.931 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 53 5.065 -1.152 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 53 4.836 -0.683 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.611 -3.476 0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.240 -3.082 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.342 -0.777 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.878 -0.274 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.319 -1.941 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.667 -2.966 3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.344 -1.357 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.689 -1.756 2.307 1.00 0.00 H new ATOM 681 N ASN A 54 7.282 -1.444 -0.604 1.00 0.00 N ATOM 682 CA ASN A 54 8.707 -1.711 -0.249 1.00 0.00 C ATOM 683 C ASN A 54 9.376 -2.519 -1.361 1.00 0.00 C ATOM 684 O ASN A 54 10.250 -3.331 -1.118 1.00 0.00 O ATOM 685 CB ASN A 54 8.783 -2.459 1.082 1.00 0.00 C ATOM 686 CG ASN A 54 8.365 -1.522 2.218 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.069 -0.582 2.537 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.239 -1.734 2.842 1.00 0.00 N ATOM 0 H ASN A 54 7.038 -0.454 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 54 9.235 -0.763 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.131 -3.333 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.797 -2.822 1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.949 -1.112 3.597 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.648 -2.522 2.575 1.00 0.00 H new ATOM 695 N ASN A 55 8.967 -2.275 -2.582 1.00 0.00 N ATOM 696 CA ASN A 55 9.545 -2.978 -3.766 1.00 0.00 C ATOM 697 C ASN A 55 9.648 -4.476 -3.498 1.00 0.00 C ATOM 698 O ASN A 55 10.502 -5.151 -4.039 1.00 0.00 O ATOM 699 CB ASN A 55 10.931 -2.405 -4.090 1.00 0.00 C ATOM 700 CG ASN A 55 10.785 -1.006 -4.699 1.00 0.00 C ATOM 701 OD1 ASN A 55 10.008 -0.805 -5.613 1.00 0.00 O ATOM 702 ND2 ASN A 55 11.509 -0.027 -4.232 1.00 0.00 N ATOM 0 H ASN A 55 8.237 -1.600 -2.811 1.00 0.00 H new ATOM 0 HA ASN A 55 8.886 -2.822 -4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.535 -2.356 -3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.453 -3.062 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.424 0.907 -4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.161 -0.195 -3.466 1.00 0.00 H new ATOM 709 N ASP A 56 8.771 -5.000 -2.678 1.00 0.00 N ATOM 710 CA ASP A 56 8.790 -6.465 -2.365 1.00 0.00 C ATOM 711 C ASP A 56 7.552 -7.129 -2.965 1.00 0.00 C ATOM 712 O ASP A 56 6.439 -6.935 -2.514 1.00 0.00 O ATOM 713 CB ASP A 56 8.811 -6.658 -0.850 1.00 0.00 C ATOM 714 CG ASP A 56 9.088 -8.127 -0.521 1.00 0.00 C ATOM 715 OD1 ASP A 56 9.092 -8.931 -1.439 1.00 0.00 O ATOM 716 OD2 ASP A 56 9.289 -8.423 0.645 1.00 0.00 O ATOM 0 H ASP A 56 8.036 -4.472 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 56 9.681 -6.924 -2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.578 -6.025 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.856 -6.353 -0.422 1.00 0.00 H new ATOM 721 N LYS A 57 7.761 -7.918 -3.984 1.00 0.00 N ATOM 722 CA LYS A 57 6.637 -8.620 -4.664 1.00 0.00 C ATOM 723 C LYS A 57 5.887 -9.491 -3.660 1.00 0.00 C ATOM 724 O LYS A 57 4.684 -9.652 -3.754 1.00 0.00 O ATOM 725 CB LYS A 57 7.211 -9.503 -5.784 1.00 0.00 C ATOM 726 CG LYS A 57 7.914 -8.625 -6.832 1.00 0.00 C ATOM 727 CD LYS A 57 6.879 -8.027 -7.794 1.00 0.00 C ATOM 728 CE LYS A 57 7.592 -7.213 -8.873 1.00 0.00 C ATOM 729 NZ LYS A 57 8.401 -8.124 -9.730 1.00 0.00 N ATOM 0 H LYS A 57 8.681 -8.108 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 57 5.946 -7.889 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.916 -10.222 -5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.411 -10.076 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.467 -7.827 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.640 -9.219 -7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.292 -8.823 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.183 -7.392 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.863 -6.677 -9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.235 -6.463 -8.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.591 -7.664 -10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.301 -8.338 -9.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.876 -9.007 -9.890 1.00 0.00 H new ATOM 743 N ASN A 58 6.583 -10.051 -2.710 1.00 0.00 N ATOM 744 CA ASN A 58 5.922 -10.917 -1.691 1.00 0.00 C ATOM 745 C ASN A 58 4.910 -10.081 -0.899 1.00 0.00 C ATOM 746 O ASN A 58 3.837 -10.546 -0.566 1.00 0.00 O ATOM 747 CB ASN A 58 6.981 -11.474 -0.725 1.00 0.00 C ATOM 748 CG ASN A 58 7.763 -12.602 -1.403 1.00 0.00 C ATOM 749 OD1 ASN A 58 7.340 -13.131 -2.411 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.896 -12.999 -0.883 1.00 0.00 N ATOM 0 H ASN A 58 7.591 -9.945 -2.594 1.00 0.00 H new ATOM 0 HA ASN A 58 5.413 -11.742 -2.190 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.662 -10.679 -0.421 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.501 -11.846 0.180 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.423 -13.752 -1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.252 -12.555 -0.036 1.00 0.00 H new ATOM 757 N LEU A 59 5.258 -8.856 -0.590 1.00 0.00 N ATOM 758 CA LEU A 59 4.343 -7.967 0.196 1.00 0.00 C ATOM 759 C LEU A 59 3.300 -7.338 -0.730 1.00 0.00 C ATOM 760 O LEU A 59 3.479 -6.244 -1.246 1.00 0.00 O ATOM 761 CB LEU A 59 5.164 -6.868 0.881 1.00 0.00 C ATOM 762 CG LEU A 59 6.279 -7.498 1.730 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.079 -6.391 2.424 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.667 -8.427 2.789 1.00 0.00 C ATOM 0 H LEU A 59 6.146 -8.429 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 59 3.829 -8.559 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.597 -6.205 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.517 -6.258 1.511 1.00 0.00 H new ATOM 0 HG LEU A 59 6.939 -8.076 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.870 -6.837 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.520 -5.736 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.416 -5.812 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.463 -8.870 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.003 -7.854 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.100 -9.217 2.296 1.00 0.00 H new ATOM 776 N SER A 60 2.211 -8.037 -0.943 1.00 0.00 N ATOM 777 CA SER A 60 1.136 -7.526 -1.842 1.00 0.00 C ATOM 778 C SER A 60 0.256 -6.513 -1.115 1.00 0.00 C ATOM 779 O SER A 60 0.261 -6.411 0.096 1.00 0.00 O ATOM 780 CB SER A 60 0.265 -8.698 -2.308 1.00 0.00 C ATOM 781 OG SER A 60 -0.483 -9.205 -1.212 1.00 0.00 O ATOM 0 H SER A 60 2.022 -8.949 -0.527 1.00 0.00 H new ATOM 0 HA SER A 60 1.604 -7.037 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.409 -8.370 -3.100 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.892 -9.485 -2.728 1.00 0.00 H new ATOM 0 HG SER A 60 -1.040 -9.953 -1.514 1.00 0.00 H new ATOM 787 N PHE A 61 -0.502 -5.761 -1.873 1.00 0.00 N ATOM 788 CA PHE A 61 -1.406 -4.733 -1.278 1.00 0.00 C ATOM 789 C PHE A 61 -2.636 -4.554 -2.166 1.00 0.00 C ATOM 790 O PHE A 61 -2.536 -4.386 -3.367 1.00 0.00 O ATOM 791 CB PHE A 61 -0.657 -3.401 -1.163 1.00 0.00 C ATOM 792 CG PHE A 61 -1.537 -2.383 -0.476 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.447 -1.619 -1.218 1.00 0.00 C ATOM 794 CD2 PHE A 61 -1.442 -2.202 0.907 1.00 0.00 C ATOM 795 CE1 PHE A 61 -3.261 -0.678 -0.577 1.00 0.00 C ATOM 796 CE2 PHE A 61 -2.255 -1.263 1.549 1.00 0.00 C ATOM 797 CZ PHE A 61 -3.164 -0.499 0.807 1.00 0.00 C ATOM 0 H PHE A 61 -0.532 -5.817 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.723 -5.059 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.266 -3.538 -0.599 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.375 -3.044 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.521 -1.756 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.739 -2.788 1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.963 -0.091 -1.150 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.182 -1.127 2.618 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.790 0.228 1.303 1.00 0.00 H new ATOM 807 N THR A 62 -3.798 -4.587 -1.566 1.00 0.00 N ATOM 808 CA THR A 62 -5.067 -4.418 -2.333 1.00 0.00 C ATOM 809 C THR A 62 -6.021 -3.504 -1.571 1.00 0.00 C ATOM 810 O THR A 62 -6.251 -3.662 -0.385 1.00 0.00 O ATOM 811 CB THR A 62 -5.720 -5.783 -2.552 1.00 0.00 C ATOM 812 OG1 THR A 62 -4.856 -6.593 -3.337 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.053 -5.599 -3.280 1.00 0.00 C ATOM 0 H THR A 62 -3.922 -4.726 -0.563 1.00 0.00 H new ATOM 0 HA THR A 62 -4.842 -3.966 -3.299 1.00 0.00 H new ATOM 0 HB THR A 62 -5.898 -6.264 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.269 -7.470 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.519 -6.572 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.712 -4.973 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.878 -5.121 -4.244 1.00 0.00 H new ATOM 821 N ALA A 63 -6.585 -2.546 -2.262 1.00 0.00 N ATOM 822 CA ALA A 63 -7.543 -1.595 -1.623 1.00 0.00 C ATOM 823 C ALA A 63 -8.711 -1.324 -2.571 1.00 0.00 C ATOM 824 O ALA A 63 -8.553 -1.239 -3.777 1.00 0.00 O ATOM 825 CB ALA A 63 -6.826 -0.285 -1.307 1.00 0.00 C ATOM 0 H ALA A 63 -6.420 -2.381 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.924 -2.033 -0.700 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.525 0.409 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.998 -0.479 -0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.442 0.151 -2.229 1.00 0.00 H new ATOM 831 N GLY A 64 -9.887 -1.199 -2.015 1.00 0.00 N ATOM 832 CA GLY A 64 -11.110 -0.946 -2.836 1.00 0.00 C ATOM 833 C GLY A 64 -11.466 0.532 -2.814 1.00 0.00 C ATOM 834 O GLY A 64 -11.570 1.142 -1.768 1.00 0.00 O ATOM 0 H GLY A 64 -10.055 -1.262 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.940 -1.271 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.943 -1.533 -2.450 1.00 0.00 H new ATOM 838 N LYS A 65 -11.662 1.096 -3.978 1.00 0.00 N ATOM 839 CA LYS A 65 -12.023 2.535 -4.098 1.00 0.00 C ATOM 840 C LYS A 65 -11.320 3.359 -3.019 1.00 0.00 C ATOM 841 O LYS A 65 -10.109 3.360 -2.920 1.00 0.00 O ATOM 842 CB LYS A 65 -13.544 2.689 -3.962 1.00 0.00 C ATOM 843 CG LYS A 65 -13.972 4.092 -4.432 1.00 0.00 C ATOM 844 CD LYS A 65 -14.213 4.083 -5.946 1.00 0.00 C ATOM 845 CE LYS A 65 -14.652 5.473 -6.407 1.00 0.00 C ATOM 846 NZ LYS A 65 -15.987 5.791 -5.826 1.00 0.00 N ATOM 0 H LYS A 65 -11.584 0.605 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.701 2.900 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.050 1.927 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.843 2.536 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.880 4.398 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.200 4.820 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.302 3.787 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.977 3.348 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.921 6.219 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.699 5.509 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.421 6.571 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.598 4.952 -5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.874 6.073 -4.831 1.00 0.00 H new ATOM 860 N ASP A 66 -12.078 4.056 -2.216 1.00 0.00 N ATOM 861 CA ASP A 66 -11.479 4.896 -1.142 1.00 0.00 C ATOM 862 C ASP A 66 -11.183 4.034 0.082 1.00 0.00 C ATOM 863 O ASP A 66 -11.844 4.129 1.098 1.00 0.00 O ATOM 864 CB ASP A 66 -12.467 6.010 -0.778 1.00 0.00 C ATOM 865 CG ASP A 66 -11.839 6.950 0.252 1.00 0.00 C ATOM 866 OD1 ASP A 66 -10.769 6.632 0.742 1.00 0.00 O ATOM 867 OD2 ASP A 66 -12.440 7.975 0.530 1.00 0.00 O ATOM 0 H ASP A 66 -13.097 4.079 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.545 5.336 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.743 6.569 -1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.384 5.578 -0.377 1.00 0.00 H new ATOM 872 N VAL A 67 -10.177 3.201 -0.021 1.00 0.00 N ATOM 873 CA VAL A 67 -9.789 2.313 1.111 1.00 0.00 C ATOM 874 C VAL A 67 -11.050 1.761 1.777 1.00 0.00 C ATOM 875 O VAL A 67 -11.068 1.464 2.957 1.00 0.00 O ATOM 876 CB VAL A 67 -8.944 3.111 2.117 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.080 2.150 2.936 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.029 4.085 1.362 1.00 0.00 C ATOM 0 H VAL A 67 -9.601 3.100 -0.857 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.195 1.476 0.744 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.607 3.667 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.481 2.717 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.722 1.453 3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.421 1.595 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.431 4.650 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.370 3.525 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.636 4.773 0.773 1.00 0.00 H new ATOM 888 N LYS A 68 -12.101 1.625 1.009 1.00 0.00 N ATOM 889 CA LYS A 68 -13.382 1.099 1.547 1.00 0.00 C ATOM 890 C LYS A 68 -13.179 -0.331 2.027 1.00 0.00 C ATOM 891 O LYS A 68 -13.670 -0.715 3.070 1.00 0.00 O ATOM 892 CB LYS A 68 -14.443 1.112 0.442 1.00 0.00 C ATOM 893 CG LYS A 68 -14.826 2.559 0.108 1.00 0.00 C ATOM 894 CD LYS A 68 -15.908 2.572 -0.985 1.00 0.00 C ATOM 895 CE LYS A 68 -17.281 2.271 -0.370 1.00 0.00 C ATOM 896 NZ LYS A 68 -18.351 2.591 -1.355 1.00 0.00 N ATOM 0 H LYS A 68 -12.121 1.861 0.017 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.710 1.723 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.061 0.612 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.324 0.558 0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.193 3.063 1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.948 3.109 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.927 3.544 -1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.673 1.831 -1.749 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.340 1.221 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.421 2.858 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.281 2.386 -0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.300 3.598 -1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.221 2.012 -2.209 1.00 0.00 H new ATOM 910 N ILE A 69 -12.454 -1.121 1.271 1.00 0.00 N ATOM 911 CA ILE A 69 -12.203 -2.542 1.669 1.00 0.00 C ATOM 912 C ILE A 69 -10.703 -2.783 1.808 1.00 0.00 C ATOM 913 O ILE A 69 -9.927 -2.527 0.902 1.00 0.00 O ATOM 914 CB ILE A 69 -12.783 -3.487 0.616 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.308 -3.335 0.584 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.419 -4.926 0.985 1.00 0.00 C ATOM 917 CD1 ILE A 69 -14.882 -4.100 -0.611 1.00 0.00 C ATOM 0 H ILE A 69 -12.023 -0.840 0.390 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.687 -2.734 2.627 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.375 -3.245 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.740 -3.713 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.576 -2.281 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.829 -5.608 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.334 -5.031 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.834 -5.167 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -15.966 -3.988 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.461 -3.701 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.628 -5.156 -0.523 1.00 0.00 H new ATOM 929 N PHE A 70 -10.306 -3.287 2.951 1.00 0.00 N ATOM 930 CA PHE A 70 -8.867 -3.571 3.215 1.00 0.00 C ATOM 931 C PHE A 70 -8.551 -5.014 2.842 1.00 0.00 C ATOM 932 O PHE A 70 -9.158 -5.951 3.327 1.00 0.00 O ATOM 933 CB PHE A 70 -8.562 -3.332 4.700 1.00 0.00 C ATOM 934 CG PHE A 70 -7.126 -3.714 4.997 1.00 0.00 C ATOM 935 CD1 PHE A 70 -6.075 -2.968 4.445 1.00 0.00 C ATOM 936 CD2 PHE A 70 -6.845 -4.810 5.824 1.00 0.00 C ATOM 937 CE1 PHE A 70 -4.747 -3.320 4.720 1.00 0.00 C ATOM 938 CE2 PHE A 70 -5.519 -5.160 6.098 1.00 0.00 C ATOM 939 CZ PHE A 70 -4.470 -4.416 5.547 1.00 0.00 C ATOM 0 H PHE A 70 -10.932 -3.516 3.723 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.248 -2.907 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.729 -2.284 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -9.240 -3.920 5.319 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.289 -2.122 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.654 -5.385 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.937 -2.746 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.305 -6.005 6.735 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.446 -4.687 5.759 1.00 0.00 H new ATOM 949 N SER A 71 -7.592 -5.187 1.971 1.00 0.00 N ATOM 950 CA SER A 71 -7.190 -6.553 1.528 1.00 0.00 C ATOM 951 C SER A 71 -5.668 -6.611 1.373 1.00 0.00 C ATOM 952 O SER A 71 -5.074 -5.888 0.593 1.00 0.00 O ATOM 953 CB SER A 71 -7.871 -6.871 0.195 1.00 0.00 C ATOM 954 OG SER A 71 -9.210 -7.278 0.445 1.00 0.00 O ATOM 0 H SER A 71 -7.063 -4.428 1.542 1.00 0.00 H new ATOM 0 HA SER A 71 -7.497 -7.290 2.270 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.859 -5.994 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.329 -7.660 -0.326 1.00 0.00 H new ATOM 0 HG SER A 71 -9.438 -7.094 1.380 1.00 0.00 H new ATOM 960 N SER A 72 -5.040 -7.478 2.122 1.00 0.00 N ATOM 961 CA SER A 72 -3.557 -7.615 2.052 1.00 0.00 C ATOM 962 C SER A 72 -3.130 -9.027 2.457 1.00 0.00 C ATOM 963 O SER A 72 -3.890 -9.793 3.023 1.00 0.00 O ATOM 964 CB SER A 72 -2.905 -6.608 2.994 1.00 0.00 C ATOM 965 OG SER A 72 -3.523 -6.683 4.271 1.00 0.00 O ATOM 0 H SER A 72 -5.497 -8.103 2.786 1.00 0.00 H new ATOM 0 HA SER A 72 -3.239 -7.426 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.838 -6.814 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.002 -5.600 2.590 1.00 0.00 H new ATOM 0 HG SER A 72 -4.173 -5.955 4.363 1.00 0.00 H new ATOM 971 N SER A 73 -1.905 -9.362 2.152 1.00 0.00 N ATOM 972 CA SER A 73 -1.366 -10.713 2.479 1.00 0.00 C ATOM 973 C SER A 73 -1.061 -10.818 3.969 1.00 0.00 C ATOM 974 O SER A 73 -0.981 -9.834 4.678 1.00 0.00 O ATOM 975 CB SER A 73 -0.082 -10.950 1.681 1.00 0.00 C ATOM 976 OG SER A 73 1.014 -10.338 2.351 1.00 0.00 O ATOM 0 H SER A 73 -1.244 -8.744 1.681 1.00 0.00 H new ATOM 0 HA SER A 73 -2.112 -11.464 2.219 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.097 -12.019 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.184 -10.538 0.677 1.00 0.00 H new ATOM 0 HG SER A 73 1.836 -10.491 1.841 1.00 0.00 H new ATOM 982 N GLU A 74 -0.888 -12.023 4.439 1.00 0.00 N ATOM 983 CA GLU A 74 -0.591 -12.254 5.878 1.00 0.00 C ATOM 984 C GLU A 74 0.789 -11.683 6.216 1.00 0.00 C ATOM 985 O GLU A 74 1.004 -11.147 7.292 1.00 0.00 O ATOM 986 CB GLU A 74 -0.599 -13.765 6.153 1.00 0.00 C ATOM 987 CG GLU A 74 -2.027 -14.302 6.003 1.00 0.00 C ATOM 988 CD GLU A 74 -2.036 -15.822 6.199 1.00 0.00 C ATOM 989 OE1 GLU A 74 -0.974 -16.379 6.423 1.00 0.00 O ATOM 990 OE2 GLU A 74 -3.107 -16.402 6.120 1.00 0.00 O ATOM 0 H GLU A 74 -0.941 -12.871 3.875 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.344 -11.761 6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.068 -14.276 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.227 -13.965 7.158 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.682 -13.828 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.417 -14.051 5.017 1.00 0.00 H new ATOM 997 N GLU A 75 1.717 -11.803 5.301 1.00 0.00 N ATOM 998 CA GLU A 75 3.097 -11.291 5.539 1.00 0.00 C ATOM 999 C GLU A 75 3.046 -9.785 5.758 1.00 0.00 C ATOM 1000 O GLU A 75 3.812 -9.231 6.521 1.00 0.00 O ATOM 1001 CB GLU A 75 3.974 -11.596 4.316 1.00 0.00 C ATOM 1002 CG GLU A 75 4.178 -13.109 4.199 1.00 0.00 C ATOM 1003 CD GLU A 75 5.009 -13.429 2.953 1.00 0.00 C ATOM 1004 OE1 GLU A 75 5.400 -12.498 2.267 1.00 0.00 O ATOM 1005 OE2 GLU A 75 5.239 -14.602 2.706 1.00 0.00 O ATOM 0 H GLU A 75 1.574 -12.239 4.390 1.00 0.00 H new ATOM 0 HA GLU A 75 3.518 -11.776 6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.503 -11.211 3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.937 -11.095 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.681 -13.487 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.212 -13.611 4.141 1.00 0.00 H new ATOM 1012 N LEU A 76 2.153 -9.120 5.079 1.00 0.00 N ATOM 1013 CA LEU A 76 2.028 -7.645 5.223 1.00 0.00 C ATOM 1014 C LEU A 76 0.997 -7.334 6.309 1.00 0.00 C ATOM 1015 O LEU A 76 0.982 -6.260 6.872 1.00 0.00 O ATOM 1016 CB LEU A 76 1.568 -7.055 3.881 1.00 0.00 C ATOM 1017 CG LEU A 76 1.684 -5.524 3.915 1.00 0.00 C ATOM 1018 CD1 LEU A 76 3.158 -5.094 3.740 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.833 -4.918 2.792 1.00 0.00 C ATOM 0 H LEU A 76 1.497 -9.543 4.422 1.00 0.00 H new ATOM 0 HA LEU A 76 2.987 -7.209 5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.176 -7.456 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.537 -7.346 3.680 1.00 0.00 H new ATOM 0 HG LEU A 76 1.325 -5.164 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.225 -4.006 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.758 -5.514 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.532 -5.458 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.917 -3.832 2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.186 -5.286 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.209 -5.205 2.930 1.00 0.00 H new ATOM 1031 N ASP A 77 0.135 -8.267 6.597 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.912 -8.048 7.638 1.00 0.00 C ATOM 1033 C ASP A 77 -0.254 -7.896 9.008 1.00 0.00 C ATOM 1034 O ASP A 77 -0.717 -7.151 9.851 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.859 -9.257 7.670 1.00 0.00 C ATOM 1036 CG ASP A 77 -3.090 -8.926 8.517 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -3.275 -7.761 8.829 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.828 -9.844 8.841 1.00 0.00 O ATOM 0 H ASP A 77 0.109 -9.184 6.151 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.471 -7.143 7.399 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.163 -9.520 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.344 -10.124 8.083 1.00 0.00 H new ATOM 1043 N LYS A 78 0.812 -8.617 9.241 1.00 0.00 N ATOM 1044 CA LYS A 78 1.495 -8.545 10.567 1.00 0.00 C ATOM 1045 C LYS A 78 2.284 -7.242 10.682 1.00 0.00 C ATOM 1046 O LYS A 78 2.727 -6.872 11.754 1.00 0.00 O ATOM 1047 CB LYS A 78 2.437 -9.749 10.720 1.00 0.00 C ATOM 1048 CG LYS A 78 3.556 -9.688 9.676 1.00 0.00 C ATOM 1049 CD LYS A 78 4.447 -10.929 9.809 1.00 0.00 C ATOM 1050 CE LYS A 78 5.566 -10.875 8.765 1.00 0.00 C ATOM 1051 NZ LYS A 78 6.446 -12.069 8.916 1.00 0.00 N ATOM 0 H LYS A 78 1.240 -9.254 8.569 1.00 0.00 H new ATOM 0 HA LYS A 78 0.747 -8.568 11.360 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.866 -9.758 11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.875 -10.676 10.606 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.131 -9.638 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.149 -8.784 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.873 -10.977 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.852 -11.832 9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.141 -10.848 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.149 -9.962 8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.206 -12.032 8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.862 -12.075 9.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.885 -12.934 8.777 1.00 0.00 H new ATOM 1065 N MET A 79 2.455 -6.543 9.589 1.00 0.00 N ATOM 1066 CA MET A 79 3.202 -5.255 9.624 1.00 0.00 C ATOM 1067 C MET A 79 2.293 -4.180 10.205 1.00 0.00 C ATOM 1068 O MET A 79 2.703 -3.056 10.422 1.00 0.00 O ATOM 1069 CB MET A 79 3.631 -4.865 8.205 1.00 0.00 C ATOM 1070 CG MET A 79 4.744 -5.802 7.735 1.00 0.00 C ATOM 1071 SD MET A 79 5.279 -5.323 6.074 1.00 0.00 S ATOM 1072 CE MET A 79 6.463 -4.043 6.566 1.00 0.00 C ATOM 0 H MET A 79 2.106 -6.813 8.669 1.00 0.00 H new ATOM 0 HA MET A 79 4.094 -5.359 10.242 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.780 -4.925 7.527 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.979 -3.832 8.189 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.586 -5.758 8.426 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.388 -6.832 7.731 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.970 -3.657 5.682 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.934 -3.231 7.065 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.198 -4.470 7.248 1.00 0.00 H new ATOM 1082 N PHE A 80 1.055 -4.527 10.454 1.00 0.00 N ATOM 1083 CA PHE A 80 0.088 -3.544 11.021 1.00 0.00 C ATOM 1084 C PHE A 80 0.150 -3.607 12.544 1.00 0.00 C ATOM 1085 O PHE A 80 -0.081 -4.636 13.153 1.00 0.00 O ATOM 1086 CB PHE A 80 -1.327 -3.893 10.544 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.473 -3.520 9.085 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.962 -4.363 8.093 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.118 -2.331 8.727 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.092 -4.018 6.742 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.249 -1.985 7.376 1.00 0.00 C ATOM 1092 CZ PHE A 80 -1.736 -2.829 6.384 1.00 0.00 C ATOM 0 H PHE A 80 0.672 -5.457 10.287 1.00 0.00 H new ATOM 0 HA PHE A 80 0.341 -2.537 10.688 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.516 -4.958 10.679 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.066 -3.360 11.142 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.466 -5.282 8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.515 -1.680 9.492 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.695 -4.669 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -2.746 -1.067 7.100 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.837 -2.562 5.342 1.00 0.00 H new ATOM 1102 N GLN A 81 0.474 -2.501 13.157 1.00 0.00 N ATOM 1103 CA GLN A 81 0.574 -2.447 14.642 1.00 0.00 C ATOM 1104 C GLN A 81 -0.726 -1.888 15.203 1.00 0.00 C ATOM 1105 O GLN A 81 -0.975 -1.958 16.393 1.00 0.00 O ATOM 1106 CB GLN A 81 1.741 -1.534 15.038 1.00 0.00 C ATOM 1107 CG GLN A 81 3.067 -2.246 14.756 1.00 0.00 C ATOM 1108 CD GLN A 81 3.203 -2.519 13.257 1.00 0.00 C ATOM 1109 OE1 GLN A 81 2.850 -1.691 12.439 1.00 0.00 O ATOM 1110 NE2 GLN A 81 3.710 -3.655 12.858 1.00 0.00 N ATOM 0 H GLN A 81 0.676 -1.620 12.684 1.00 0.00 H new ATOM 0 HA GLN A 81 0.747 -3.446 15.042 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.692 -0.600 14.478 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.672 -1.276 16.095 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.900 -1.632 15.100 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.112 -3.183 15.311 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.006 -4.350 13.543 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.810 -3.847 11.861 1.00 0.00 H new ATOM 1119 N GLU A 82 -1.566 -1.342 14.353 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.861 -0.784 14.824 1.00 0.00 C ATOM 1121 C GLU A 82 -3.997 -1.272 13.913 1.00 0.00 C ATOM 1122 O GLU A 82 -3.801 -1.500 12.732 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.816 0.744 14.791 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.729 1.237 15.746 1.00 0.00 C ATOM 1125 CD GLU A 82 -2.114 0.896 17.188 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -3.294 0.709 17.439 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -1.221 0.824 18.015 1.00 0.00 O ATOM 0 H GLU A 82 -1.403 -1.262 13.349 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.037 -1.120 15.846 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.612 1.092 13.778 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.784 1.154 15.080 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.774 0.774 15.495 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.599 2.314 15.639 1.00 0.00 H new ATOM 1134 N PRO A 83 -5.183 -1.412 14.452 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.371 -1.852 13.669 1.00 0.00 C ATOM 1136 C PRO A 83 -6.545 -1.054 12.377 1.00 0.00 C ATOM 1137 O PRO A 83 -6.170 0.100 12.290 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.551 -1.604 14.624 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.965 -1.639 15.997 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.519 -1.179 15.869 1.00 0.00 C ATOM 0 HA PRO A 83 -6.283 -2.890 13.349 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.023 -0.643 14.423 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.320 -2.368 14.505 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.520 -0.987 16.671 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.015 -2.645 16.414 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.412 -0.127 16.135 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.862 -1.744 16.531 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.097 -1.679 11.374 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.293 -0.999 10.065 1.00 0.00 C ATOM 1150 C ARG A 84 -8.269 0.159 10.213 1.00 0.00 C ATOM 1151 O ARG A 84 -9.285 0.057 10.874 1.00 0.00 O ATOM 1152 CB ARG A 84 -7.833 -2.008 9.045 1.00 0.00 C ATOM 1153 CG ARG A 84 -9.159 -2.599 9.537 1.00 0.00 C ATOM 1154 CD ARG A 84 -9.646 -3.657 8.537 1.00 0.00 C ATOM 1155 NE ARG A 84 -10.958 -4.206 8.994 1.00 0.00 N ATOM 1156 CZ ARG A 84 -11.624 -5.049 8.243 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -11.160 -5.412 7.074 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -12.765 -5.524 8.660 1.00 0.00 N ATOM 0 H ARG A 84 -7.424 -2.644 11.407 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.337 -0.606 9.719 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.979 -1.520 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.106 -2.805 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.027 -3.047 10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.905 -1.811 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.750 -3.216 7.546 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.913 -4.459 8.454 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.338 -3.923 9.897 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.272 -5.038 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.687 -6.069 6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.135 -5.239 9.567 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.287 -6.180 8.079 1.00 0.00 H new ATOM 1172 N LYS A 85 -7.945 1.272 9.600 1.00 0.00 N ATOM 1173 CA LYS A 85 -8.821 2.481 9.681 1.00 0.00 C ATOM 1174 C LYS A 85 -9.112 3.021 8.282 1.00 0.00 C ATOM 1175 O LYS A 85 -8.282 2.993 7.394 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.119 3.559 10.511 1.00 0.00 C ATOM 1177 CG LYS A 85 -7.817 3.023 11.918 1.00 0.00 C ATOM 1178 CD LYS A 85 -9.092 3.034 12.769 1.00 0.00 C ATOM 1179 CE LYS A 85 -8.764 2.603 14.195 1.00 0.00 C ATOM 1180 NZ LYS A 85 -7.984 3.678 14.869 1.00 0.00 N ATOM 0 H LYS A 85 -7.101 1.394 9.041 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.764 2.206 10.153 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.193 3.862 10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.749 4.446 10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.422 2.009 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.049 3.634 12.392 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.530 4.032 12.772 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.834 2.362 12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.683 2.404 14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.192 1.675 14.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.033 3.548 15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.992 3.632 14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.382 4.605 14.617 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.307 3.512 8.100 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.726 4.067 6.781 1.00 0.00 C ATOM 1196 C GLY A 86 -9.977 5.365 6.488 1.00 0.00 C ATOM 1197 O GLY A 86 -9.446 6.006 7.375 1.00 0.00 O ATOM 0 H GLY A 86 -11.025 3.553 8.824 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.528 3.340 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.800 4.252 6.782 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.937 5.741 5.235 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.229 6.988 4.822 1.00 0.00 C ATOM 1203 C TYR A 87 -9.854 8.198 5.519 1.00 0.00 C ATOM 1204 O TYR A 87 -9.163 9.063 6.023 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.358 7.162 3.301 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.732 8.478 2.893 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.339 8.616 2.880 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.545 9.561 2.535 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.759 9.836 2.508 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -8.967 10.779 2.164 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.574 10.917 2.150 1.00 0.00 C ATOM 1212 OH TYR A 87 -7.003 12.120 1.785 1.00 0.00 O ATOM 0 H TYR A 87 -10.373 5.227 4.469 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.178 6.914 5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.866 6.337 2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.408 7.139 3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.711 7.782 3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.620 9.455 2.546 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.684 9.943 2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.595 11.613 1.888 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.709 12.764 1.566 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.157 8.268 5.536 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.851 9.418 6.181 1.00 0.00 C ATOM 1224 C ASP A 88 -11.566 9.415 7.684 1.00 0.00 C ATOM 1225 O ASP A 88 -11.435 10.456 8.298 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.365 9.293 5.951 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.695 9.619 4.492 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.842 10.175 3.821 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.798 9.307 4.072 1.00 0.00 O ATOM 0 H ASP A 88 -11.777 7.569 5.126 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.488 10.349 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.697 8.283 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.901 9.971 6.615 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.497 8.251 8.277 1.00 0.00 N ATOM 1235 CA GLU A 89 -11.251 8.158 9.745 1.00 0.00 C ATOM 1236 C GLU A 89 -9.887 8.760 10.086 1.00 0.00 C ATOM 1237 O GLU A 89 -9.766 9.556 10.997 1.00 0.00 O ATOM 1238 CB GLU A 89 -11.262 6.682 10.170 1.00 0.00 C ATOM 1239 CG GLU A 89 -11.239 6.586 11.699 1.00 0.00 C ATOM 1240 CD GLU A 89 -12.575 7.068 12.270 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -13.481 7.308 11.488 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -12.671 7.186 13.479 1.00 0.00 O ATOM 0 H GLU A 89 -11.602 7.354 7.802 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.032 8.706 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.151 6.187 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.398 6.166 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.053 5.557 12.005 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.424 7.190 12.098 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.864 8.380 9.362 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.498 8.915 9.635 1.00 0.00 C ATOM 1251 C ILE A 90 -7.442 10.390 9.250 1.00 0.00 C ATOM 1252 O ILE A 90 -6.728 11.172 9.849 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.460 8.123 8.819 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.833 8.143 7.335 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.417 6.673 9.306 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.731 7.464 6.516 1.00 0.00 C ATOM 0 H ILE A 90 -8.919 7.717 8.588 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.273 8.812 10.697 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.482 8.585 8.953 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.782 7.629 7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.969 9.171 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.681 6.116 8.726 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.140 6.651 10.360 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.399 6.217 9.179 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.000 7.480 5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.791 7.997 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.617 6.431 6.845 1.00 0.00 H new ATOM 1268 N LEU A 91 -8.184 10.766 8.244 1.00 0.00 N ATOM 1269 CA LEU A 91 -8.186 12.180 7.792 1.00 0.00 C ATOM 1270 C LEU A 91 -8.748 13.075 8.898 1.00 0.00 C ATOM 1271 O LEU A 91 -8.224 14.137 9.174 1.00 0.00 O ATOM 1272 CB LEU A 91 -9.069 12.309 6.540 1.00 0.00 C ATOM 1273 CG LEU A 91 -9.072 13.767 6.056 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -7.641 14.194 5.691 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -9.978 13.898 4.830 1.00 0.00 C ATOM 0 H LEU A 91 -8.794 10.145 7.713 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.166 12.488 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.697 11.655 5.752 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.086 11.989 6.766 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.447 14.411 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.646 15.229 5.348 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.000 14.106 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.261 13.551 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.979 14.933 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.608 13.253 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.993 13.602 5.094 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.823 12.654 9.511 1.00 0.00 N ATOM 1288 CA GLU A 92 -10.454 13.464 10.593 1.00 0.00 C ATOM 1289 C GLU A 92 -9.556 13.445 11.825 1.00 0.00 C ATOM 1290 O GLU A 92 -9.448 14.422 12.542 1.00 0.00 O ATOM 1291 CB GLU A 92 -11.816 12.860 10.948 1.00 0.00 C ATOM 1292 CG GLU A 92 -12.771 12.998 9.759 1.00 0.00 C ATOM 1293 CD GLU A 92 -13.061 14.479 9.501 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -12.876 15.267 10.414 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.459 14.799 8.394 1.00 0.00 O ATOM 0 H GLU A 92 -10.295 11.774 9.305 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.587 14.491 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.700 11.809 11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.232 13.365 11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.331 12.544 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.700 12.465 9.962 1.00 0.00 H new