USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 973 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 45 THR OG1 : rot -160:sc= -0.659 USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0153 X(o=-0.67,f=-0.89) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -8.66! C(o=-8.7!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.55) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 97:sc= -0.084 USER MOD Single : A 31 ASN : amide:sc= -2.3 X(o=-2.3,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -138:sc= -0.922 (180deg=-4.37!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.71) USER MOD Single : A 64 HIS : no HD1:sc= -23.3! C(o=-23!,f=-22!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 158:sc= 0.238 (180deg=-0.00846) USER MOD Single : A 73 TYR OH : rot -140:sc= 0.0679 USER MOD Single : A 79 HIS : no HD1:sc= -2.74 K(o=-2.7,f=-4!) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.951 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.95) USER MOD Single : A 105 MET CE :methyl 159:sc= -1.05 (180deg=-1.42) USER MOD Single : A 106 SER OG : rot 40:sc= 0.193 USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 119 ASN : amide:sc= -0.727 K(o=-0.73,f=-2.6!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 159:sc= -0.193 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.669 -5.275 -1.355 1.00 0.00 N ATOM 21 CA LYS A 2 -20.564 -4.628 -2.055 1.00 0.00 C ATOM 22 C LYS A 2 -19.272 -5.420 -1.881 1.00 0.00 C ATOM 23 O LYS A 2 -19.046 -6.042 -0.843 1.00 0.00 O ATOM 24 CB LYS A 2 -20.373 -3.199 -1.542 1.00 0.00 C ATOM 25 CG LYS A 2 -19.885 -2.231 -2.607 1.00 0.00 C ATOM 26 CD LYS A 2 -21.029 -1.738 -3.477 1.00 0.00 C ATOM 27 CE LYS A 2 -20.615 -0.536 -4.312 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.054 0.747 -3.695 1.00 0.00 N ATOM 0 HA LYS A 2 -20.809 -4.595 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.319 -2.837 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.659 -3.210 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.396 -1.381 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.137 -2.721 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.361 -2.542 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.877 -1.470 -2.847 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.531 -0.531 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.042 -0.623 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.753 1.542 -4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.090 0.753 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -20.626 0.843 -2.752 1.00 0.00 H new ATOM 42 N LYS A 3 -18.426 -5.391 -2.906 1.00 0.00 N ATOM 43 CA LYS A 3 -17.154 -6.103 -2.871 1.00 0.00 C ATOM 44 C LYS A 3 -16.049 -5.265 -3.505 1.00 0.00 C ATOM 45 O LYS A 3 -16.201 -4.759 -4.617 1.00 0.00 O ATOM 46 CB LYS A 3 -17.275 -7.445 -3.593 1.00 0.00 C ATOM 47 CG LYS A 3 -17.819 -7.330 -5.008 1.00 0.00 C ATOM 48 CD LYS A 3 -19.340 -7.328 -5.021 1.00 0.00 C ATOM 49 CE LYS A 3 -19.886 -6.405 -6.098 1.00 0.00 C ATOM 50 NZ LYS A 3 -20.302 -7.157 -7.315 1.00 0.00 N ATOM 0 H LYS A 3 -18.599 -4.881 -3.772 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.895 -6.286 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.294 -7.919 -3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.926 -8.101 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.449 -6.414 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.450 -8.161 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.705 -8.341 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.713 -7.013 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.738 -5.852 -5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.126 -5.671 -6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.669 -6.492 -8.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.483 -7.665 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.045 -7.840 -7.064 1.00 0.00 H new ATOM 64 N LEU A 4 -14.941 -5.114 -2.787 1.00 0.00 N ATOM 65 CA LEU A 4 -13.818 -4.327 -3.279 1.00 0.00 C ATOM 66 C LEU A 4 -12.484 -4.908 -2.810 1.00 0.00 C ATOM 67 O LEU A 4 -12.340 -5.302 -1.654 1.00 0.00 O ATOM 68 CB LEU A 4 -13.958 -2.880 -2.808 1.00 0.00 C ATOM 69 CG LEU A 4 -14.097 -2.702 -1.295 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.740 -2.451 -0.662 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.054 -1.563 -0.978 1.00 0.00 C ATOM 0 H LEU A 4 -14.798 -5.525 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.830 -4.357 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.087 -2.318 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.830 -2.439 -3.292 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.507 -3.621 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.858 -2.327 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.084 -3.299 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.302 -1.547 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.141 -1.451 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.673 -0.637 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.035 -1.784 -1.400 1.00 0.00 H new ATOM 83 N GLN A 5 -11.513 -4.962 -3.717 1.00 0.00 N ATOM 84 CA GLN A 5 -10.194 -5.498 -3.399 1.00 0.00 C ATOM 85 C GLN A 5 -9.151 -4.394 -3.287 1.00 0.00 C ATOM 86 O GLN A 5 -9.281 -3.332 -3.895 1.00 0.00 O ATOM 87 CB GLN A 5 -9.753 -6.501 -4.460 1.00 0.00 C ATOM 88 CG GLN A 5 -10.859 -7.448 -4.876 1.00 0.00 C ATOM 89 CD GLN A 5 -10.378 -8.543 -5.807 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.488 -8.428 -7.028 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.840 -9.613 -5.234 1.00 0.00 N ATOM 0 H GLN A 5 -11.615 -4.640 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.274 -5.998 -2.434 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.396 -5.961 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.912 -7.079 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.297 -7.901 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.650 -6.881 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.769 -9.666 -4.218 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.498 -10.382 -5.810 1.00 0.00 H new ATOM 100 N ILE A 6 -8.114 -4.665 -2.506 1.00 0.00 N ATOM 101 CA ILE A 6 -7.031 -3.720 -2.297 1.00 0.00 C ATOM 102 C ILE A 6 -5.703 -4.452 -2.119 1.00 0.00 C ATOM 103 O ILE A 6 -5.536 -5.221 -1.172 1.00 0.00 O ATOM 104 CB ILE A 6 -7.280 -2.847 -1.053 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.602 -2.090 -1.176 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.125 -1.882 -0.855 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.813 -2.927 -0.835 1.00 0.00 C ATOM 0 H ILE A 6 -8.002 -5.544 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.989 -3.083 -3.180 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.346 -3.497 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.575 -1.220 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.704 -1.717 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.310 -1.269 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.201 -2.444 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.034 -1.239 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.714 -2.324 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.865 -3.783 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.734 -3.278 0.194 1.00 0.00 H new ATOM 119 N ALA A 7 -4.755 -4.195 -3.011 1.00 0.00 N ATOM 120 CA ALA A 7 -3.442 -4.818 -2.919 1.00 0.00 C ATOM 121 C ALA A 7 -2.376 -3.745 -2.904 1.00 0.00 C ATOM 122 O ALA A 7 -2.341 -2.893 -3.782 1.00 0.00 O ATOM 123 CB ALA A 7 -3.209 -5.789 -4.066 1.00 0.00 C ATOM 0 H ALA A 7 -4.870 -3.562 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.392 -5.390 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.220 -6.237 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.967 -6.572 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.273 -5.255 -5.014 1.00 0.00 H new ATOM 129 N VAL A 8 -1.517 -3.769 -1.903 1.00 0.00 N ATOM 130 CA VAL A 8 -0.476 -2.763 -1.803 1.00 0.00 C ATOM 131 C VAL A 8 0.841 -3.366 -1.343 1.00 0.00 C ATOM 132 O VAL A 8 0.878 -4.467 -0.797 1.00 0.00 O ATOM 133 CB VAL A 8 -0.887 -1.614 -0.850 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.383 -1.643 -0.565 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.094 -1.671 0.449 1.00 0.00 C ATOM 0 H VAL A 8 -1.518 -4.464 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.339 -2.353 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.656 -0.673 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.641 -0.824 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.934 -1.533 -1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.646 -2.592 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.403 -0.853 1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.281 -2.622 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.970 -1.579 0.230 1.00 0.00 H new ATOM 145 N GLY A 9 1.915 -2.623 -1.563 1.00 0.00 N ATOM 146 CA GLY A 9 3.224 -3.079 -1.163 1.00 0.00 C ATOM 147 C GLY A 9 4.088 -1.949 -0.645 1.00 0.00 C ATOM 148 O GLY A 9 4.283 -0.945 -1.330 1.00 0.00 O ATOM 0 H GLY A 9 1.900 -1.708 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.121 -3.840 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.718 -3.552 -2.012 1.00 0.00 H new ATOM 152 N ILE A 10 4.616 -2.112 0.562 1.00 0.00 N ATOM 153 CA ILE A 10 5.473 -1.095 1.158 1.00 0.00 C ATOM 154 C ILE A 10 6.809 -1.061 0.427 1.00 0.00 C ATOM 155 O ILE A 10 7.619 -1.973 0.568 1.00 0.00 O ATOM 156 CB ILE A 10 5.727 -1.341 2.668 1.00 0.00 C ATOM 157 CG1 ILE A 10 5.240 -2.725 3.115 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.059 -0.260 3.501 1.00 0.00 C ATOM 159 CD1 ILE A 10 5.582 -3.051 4.552 1.00 0.00 C ATOM 0 H ILE A 10 4.467 -2.935 1.145 1.00 0.00 H new ATOM 0 HA ILE A 10 4.955 -0.141 1.061 1.00 0.00 H new ATOM 0 HB ILE A 10 6.805 -1.303 2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.159 -2.780 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.678 -3.483 2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.247 -0.447 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.465 0.714 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.985 -0.270 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.207 -4.044 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.664 -3.029 4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.122 -2.315 5.211 1.00 0.00 H new ATOM 171 N ILE A 11 7.024 -0.015 -0.367 1.00 0.00 N ATOM 172 CA ILE A 11 8.259 0.113 -1.137 1.00 0.00 C ATOM 173 C ILE A 11 9.447 0.425 -0.238 1.00 0.00 C ATOM 174 O ILE A 11 9.424 1.386 0.527 1.00 0.00 O ATOM 175 CB ILE A 11 8.163 1.202 -2.225 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.731 1.325 -2.757 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.128 0.886 -3.359 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.634 2.096 -4.056 1.00 0.00 C ATOM 0 H ILE A 11 6.364 0.752 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 11 8.408 -0.853 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 11 8.437 2.159 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.320 0.326 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.113 1.816 -2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.056 1.659 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.146 0.853 -2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.874 -0.081 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.592 2.144 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.015 3.107 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.225 1.594 -4.822 1.00 0.00 H new ATOM 190 N ARG A 12 10.482 -0.401 -0.338 1.00 0.00 N ATOM 191 CA ARG A 12 11.686 -0.227 0.465 1.00 0.00 C ATOM 192 C ARG A 12 12.694 0.677 -0.227 1.00 0.00 C ATOM 193 O ARG A 12 13.106 0.413 -1.363 1.00 0.00 O ATOM 194 CB ARG A 12 12.333 -1.579 0.761 1.00 0.00 C ATOM 195 CG ARG A 12 12.119 -2.050 2.189 1.00 0.00 C ATOM 196 CD ARG A 12 13.431 -2.149 2.951 1.00 0.00 C ATOM 197 NE ARG A 12 13.468 -3.317 3.827 1.00 0.00 N ATOM 198 CZ ARG A 12 12.810 -3.400 4.980 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.064 -2.385 5.400 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.896 -4.499 5.716 1.00 0.00 N ATOM 0 H ARG A 12 10.511 -1.201 -0.970 1.00 0.00 H new ATOM 0 HA ARG A 12 11.386 0.245 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.929 -2.324 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.403 -1.512 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.451 -1.360 2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.628 -3.023 2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.258 -2.200 2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.575 -1.246 3.544 1.00 0.00 H new ATOM 0 HE ARG A 12 14.032 -4.116 3.538 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.994 -1.537 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.561 -2.453 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.467 -5.282 5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.391 -4.562 6.600 1.00 0.00 H new ATOM 214 N ASN A 13 13.089 1.733 0.480 1.00 0.00 N ATOM 215 CA ASN A 13 14.060 2.700 -0.026 1.00 0.00 C ATOM 216 C ASN A 13 15.484 2.189 0.100 1.00 0.00 C ATOM 217 O ASN A 13 15.730 1.028 0.433 1.00 0.00 O ATOM 218 CB ASN A 13 13.950 4.037 0.696 1.00 0.00 C ATOM 219 CG ASN A 13 14.312 5.215 -0.188 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.436 5.079 -1.405 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.490 6.380 0.424 1.00 0.00 N ATOM 0 H ASN A 13 12.746 1.942 1.418 1.00 0.00 H new ATOM 0 HA ASN A 13 13.825 2.841 -1.081 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.931 4.164 1.063 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.604 4.029 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.740 7.208 -0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.377 6.447 1.435 1.00 0.00 H new ATOM 228 N GLU A 14 16.411 3.083 -0.191 1.00 0.00 N ATOM 229 CA GLU A 14 17.838 2.789 -0.147 1.00 0.00 C ATOM 230 C GLU A 14 18.413 2.896 1.269 1.00 0.00 C ATOM 231 O GLU A 14 19.603 2.659 1.475 1.00 0.00 O ATOM 232 CB GLU A 14 18.570 3.758 -1.079 1.00 0.00 C ATOM 233 CG GLU A 14 20.087 3.673 -0.996 1.00 0.00 C ATOM 234 CD GLU A 14 20.763 4.062 -2.297 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.232 3.711 -3.370 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.825 4.717 -2.241 1.00 0.00 O ATOM 0 H GLU A 14 16.197 4.041 -0.467 1.00 0.00 H new ATOM 0 HA GLU A 14 17.981 1.758 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.261 3.561 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.260 4.776 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.441 4.325 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.377 2.657 -0.730 1.00 0.00 H new ATOM 243 N ASN A 15 17.581 3.261 2.240 1.00 0.00 N ATOM 244 CA ASN A 15 18.049 3.401 3.618 1.00 0.00 C ATOM 245 C ASN A 15 17.165 2.634 4.599 1.00 0.00 C ATOM 246 O ASN A 15 16.934 3.083 5.721 1.00 0.00 O ATOM 247 CB ASN A 15 18.095 4.879 4.011 1.00 0.00 C ATOM 248 CG ASN A 15 18.781 5.102 5.344 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.222 5.725 6.247 1.00 0.00 O ATOM 250 ND2 ASN A 15 20.001 4.594 5.475 1.00 0.00 N ATOM 0 H ASN A 15 16.591 3.463 2.103 1.00 0.00 H new ATOM 0 HA ASN A 15 19.052 2.976 3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.618 5.442 3.238 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.079 5.271 4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.512 4.713 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.427 4.084 4.701 1.00 0.00 H new ATOM 257 N ASN A 16 16.672 1.475 4.171 1.00 0.00 N ATOM 258 CA ASN A 16 15.814 0.650 5.017 1.00 0.00 C ATOM 259 C ASN A 16 14.499 1.359 5.347 1.00 0.00 C ATOM 260 O ASN A 16 13.702 0.863 6.142 1.00 0.00 O ATOM 261 CB ASN A 16 16.543 0.274 6.305 1.00 0.00 C ATOM 262 CG ASN A 16 16.742 -1.223 6.444 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.628 -1.804 5.816 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.918 -1.856 7.270 1.00 0.00 N ATOM 0 H ASN A 16 16.851 1.086 3.245 1.00 0.00 H new ATOM 0 HA ASN A 16 15.576 -0.257 4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.513 0.770 6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.977 0.643 7.160 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.005 -2.863 7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.198 -1.335 7.770 1.00 0.00 H new ATOM 271 N GLU A 17 14.268 2.508 4.718 1.00 0.00 N ATOM 272 CA GLU A 17 13.043 3.263 4.933 1.00 0.00 C ATOM 273 C GLU A 17 12.094 3.008 3.775 1.00 0.00 C ATOM 274 O GLU A 17 12.534 2.809 2.650 1.00 0.00 O ATOM 275 CB GLU A 17 13.345 4.758 5.051 1.00 0.00 C ATOM 276 CG GLU A 17 13.983 5.349 3.805 1.00 0.00 C ATOM 277 CD GLU A 17 14.377 6.803 3.987 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.831 7.456 4.901 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.229 7.288 3.213 1.00 0.00 O ATOM 0 H GLU A 17 14.915 2.935 4.055 1.00 0.00 H new ATOM 0 HA GLU A 17 12.580 2.938 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.419 5.292 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.008 4.920 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.866 4.767 3.542 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.287 5.266 2.970 1.00 0.00 H new ATOM 286 N ILE A 18 10.798 2.989 4.044 1.00 0.00 N ATOM 287 CA ILE A 18 9.825 2.727 2.995 1.00 0.00 C ATOM 288 C ILE A 18 9.003 3.969 2.660 1.00 0.00 C ATOM 289 O ILE A 18 8.587 4.717 3.546 1.00 0.00 O ATOM 290 CB ILE A 18 8.894 1.559 3.389 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.607 0.225 3.164 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.582 1.599 2.611 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.239 -0.837 4.177 1.00 0.00 C ATOM 0 H ILE A 18 10.399 3.150 4.969 1.00 0.00 H new ATOM 0 HA ILE A 18 10.383 2.446 2.101 1.00 0.00 H new ATOM 0 HB ILE A 18 8.652 1.663 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.370 -0.140 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.684 0.388 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.953 0.762 2.915 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.065 2.536 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.790 1.528 1.543 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.782 -1.755 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.502 -0.492 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.167 -1.029 4.130 1.00 0.00 H new ATOM 305 N PHE A 19 8.776 4.169 1.367 1.00 0.00 N ATOM 306 CA PHE A 19 8.006 5.304 0.882 1.00 0.00 C ATOM 307 C PHE A 19 6.513 4.983 0.883 1.00 0.00 C ATOM 308 O PHE A 19 6.073 4.025 0.248 1.00 0.00 O ATOM 309 CB PHE A 19 8.481 5.687 -0.530 1.00 0.00 C ATOM 310 CG PHE A 19 7.415 6.278 -1.417 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.478 5.466 -2.035 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.358 7.645 -1.635 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.503 6.005 -2.854 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.385 8.190 -2.452 1.00 0.00 C ATOM 315 CZ PHE A 19 5.457 7.369 -3.063 1.00 0.00 C ATOM 0 H PHE A 19 9.119 3.552 0.631 1.00 0.00 H new ATOM 0 HA PHE A 19 8.165 6.151 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.298 6.403 -0.441 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.886 4.799 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.509 4.398 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.082 8.292 -1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.779 5.360 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.350 9.257 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.697 7.793 -3.703 1.00 0.00 H new ATOM 325 N ILE A 20 5.742 5.795 1.593 1.00 0.00 N ATOM 326 CA ILE A 20 4.299 5.613 1.669 1.00 0.00 C ATOM 327 C ILE A 20 3.594 6.908 1.282 1.00 0.00 C ATOM 328 O ILE A 20 4.203 7.977 1.289 1.00 0.00 O ATOM 329 CB ILE A 20 3.836 5.187 3.083 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.032 5.003 4.022 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.021 3.906 3.009 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.639 4.715 5.455 1.00 0.00 C ATOM 0 H ILE A 20 6.094 6.590 2.127 1.00 0.00 H new ATOM 0 HA ILE A 20 4.037 4.814 0.975 1.00 0.00 H new ATOM 0 HB ILE A 20 3.208 5.981 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.651 4.185 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.645 5.904 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.702 3.619 4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.144 4.068 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.631 3.111 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.537 4.596 6.062 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.046 5.543 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.051 3.798 5.494 1.00 0.00 H new ATOM 344 N THR A 21 2.314 6.815 0.950 1.00 0.00 N ATOM 345 CA THR A 21 1.547 7.995 0.568 1.00 0.00 C ATOM 346 C THR A 21 1.306 8.887 1.780 1.00 0.00 C ATOM 347 O THR A 21 1.315 8.418 2.916 1.00 0.00 O ATOM 348 CB THR A 21 0.212 7.586 -0.057 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.706 7.179 0.942 1.00 0.00 O ATOM 350 CG2 THR A 21 0.338 6.455 -1.055 1.00 0.00 C ATOM 0 H THR A 21 1.787 5.942 0.937 1.00 0.00 H new ATOM 0 HA THR A 21 2.122 8.554 -0.170 1.00 0.00 H new ATOM 0 HB THR A 21 -0.144 8.472 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.291 7.930 1.174 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.645 6.215 -1.460 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.000 6.758 -1.866 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.750 5.576 -0.559 1.00 0.00 H new ATOM 358 N ARG A 22 1.101 10.177 1.534 1.00 0.00 N ATOM 359 CA ARG A 22 0.866 11.129 2.616 1.00 0.00 C ATOM 360 C ARG A 22 -0.063 12.254 2.169 1.00 0.00 C ATOM 361 O ARG A 22 0.345 13.157 1.440 1.00 0.00 O ATOM 362 CB ARG A 22 2.193 11.712 3.104 1.00 0.00 C ATOM 363 CG ARG A 22 2.080 12.456 4.425 1.00 0.00 C ATOM 364 CD ARG A 22 3.283 12.197 5.317 1.00 0.00 C ATOM 365 NE ARG A 22 3.652 13.375 6.098 1.00 0.00 N ATOM 366 CZ ARG A 22 4.414 13.334 7.188 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.891 12.176 7.630 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.701 14.452 7.840 1.00 0.00 N ATOM 0 H ARG A 22 1.093 10.587 0.600 1.00 0.00 H new ATOM 0 HA ARG A 22 0.385 10.594 3.435 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.918 10.905 3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.583 12.391 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.991 13.526 4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.171 12.147 4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.062 11.370 5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.130 11.890 4.703 1.00 0.00 H new ATOM 0 HE ARG A 22 3.305 14.283 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.674 11.312 7.133 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.475 12.151 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.338 15.345 7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.285 14.420 8.675 1.00 0.00 H new ATOM 493 N ASN A 31 -5.120 12.002 7.007 1.00 0.00 N ATOM 494 CA ASN A 31 -5.382 10.625 7.412 1.00 0.00 C ATOM 495 C ASN A 31 -5.385 9.684 6.208 1.00 0.00 C ATOM 496 O ASN A 31 -6.058 8.654 6.219 1.00 0.00 O ATOM 497 CB ASN A 31 -6.723 10.541 8.146 1.00 0.00 C ATOM 498 CG ASN A 31 -6.556 10.225 9.620 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.799 10.890 10.327 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.266 9.207 10.090 1.00 0.00 N ATOM 0 HA ASN A 31 -4.582 10.312 8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.253 11.487 8.038 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.342 9.774 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.197 8.948 11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.881 8.684 9.467 1.00 0.00 H new ATOM 507 N LYS A 32 -4.637 10.045 5.167 1.00 0.00 N ATOM 508 CA LYS A 32 -4.565 9.228 3.959 1.00 0.00 C ATOM 509 C LYS A 32 -3.171 8.651 3.753 1.00 0.00 C ATOM 510 O LYS A 32 -2.767 8.353 2.629 1.00 0.00 O ATOM 511 CB LYS A 32 -4.984 10.041 2.734 1.00 0.00 C ATOM 512 CG LYS A 32 -5.874 9.274 1.770 1.00 0.00 C ATOM 513 CD LYS A 32 -7.346 9.470 2.092 1.00 0.00 C ATOM 514 CE LYS A 32 -8.233 8.671 1.151 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.582 8.428 1.732 1.00 0.00 N ATOM 0 H LYS A 32 -4.074 10.895 5.136 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.257 8.395 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.509 10.937 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.090 10.372 2.205 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.677 9.605 0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.629 8.213 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.538 9.166 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.598 10.528 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.335 9.206 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.757 7.716 0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.156 7.880 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.487 7.895 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.047 9.338 1.923 1.00 0.00 H new ATOM 529 N LEU A 33 -2.445 8.495 4.845 1.00 0.00 N ATOM 530 CA LEU A 33 -1.092 7.949 4.796 1.00 0.00 C ATOM 531 C LEU A 33 -1.126 6.460 4.462 1.00 0.00 C ATOM 532 O LEU A 33 -0.882 5.617 5.324 1.00 0.00 O ATOM 533 CB LEU A 33 -0.384 8.169 6.136 1.00 0.00 C ATOM 534 CG LEU A 33 1.145 8.167 6.075 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.735 8.366 7.462 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.655 6.871 5.461 1.00 0.00 C ATOM 0 H LEU A 33 -2.767 8.738 5.782 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.540 8.469 4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.714 9.122 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.705 7.392 6.830 1.00 0.00 H new ATOM 0 HG LEU A 33 1.463 8.996 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.823 8.362 7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.399 9.321 7.867 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.407 7.559 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.744 6.889 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.325 6.027 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.261 6.768 4.450 1.00 0.00 H new ATOM 548 N GLU A 34 -1.439 6.141 3.208 1.00 0.00 N ATOM 549 CA GLU A 34 -1.516 4.749 2.777 1.00 0.00 C ATOM 550 C GLU A 34 -0.332 4.359 1.897 1.00 0.00 C ATOM 551 O GLU A 34 0.662 5.079 1.817 1.00 0.00 O ATOM 552 CB GLU A 34 -2.829 4.498 2.031 1.00 0.00 C ATOM 553 CG GLU A 34 -3.501 3.187 2.405 1.00 0.00 C ATOM 554 CD GLU A 34 -4.294 2.592 1.258 1.00 0.00 C ATOM 555 OE1 GLU A 34 -3.703 1.844 0.451 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.508 2.872 1.169 1.00 0.00 O ATOM 0 H GLU A 34 -1.642 6.823 2.477 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.482 4.127 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.516 5.320 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.635 4.504 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.743 2.473 2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.165 3.352 3.254 1.00 0.00 H new ATOM 563 N PHE A 35 -0.445 3.198 1.254 1.00 0.00 N ATOM 564 CA PHE A 35 0.616 2.685 0.392 1.00 0.00 C ATOM 565 C PHE A 35 0.132 2.510 -1.049 1.00 0.00 C ATOM 566 O PHE A 35 -1.065 2.590 -1.330 1.00 0.00 O ATOM 567 CB PHE A 35 1.144 1.347 0.923 1.00 0.00 C ATOM 568 CG PHE A 35 0.966 1.153 2.405 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.297 0.997 2.956 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.065 1.128 3.247 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.458 0.823 4.317 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.910 0.953 4.608 1.00 0.00 C ATOM 573 CZ PHE A 35 0.647 0.800 5.144 1.00 0.00 C ATOM 0 H PHE A 35 -1.264 2.594 1.315 1.00 0.00 H new ATOM 0 HA PHE A 35 1.422 3.419 0.398 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.637 0.537 0.399 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.204 1.268 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.165 1.012 2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.056 1.247 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.447 0.705 4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.776 0.936 5.253 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.524 0.663 6.208 1.00 0.00 H new ATOM 583 N PRO A 36 1.072 2.273 -1.983 1.00 0.00 N ATOM 584 CA PRO A 36 0.771 2.086 -3.405 1.00 0.00 C ATOM 585 C PRO A 36 0.282 0.677 -3.740 1.00 0.00 C ATOM 586 O PRO A 36 0.394 -0.242 -2.934 1.00 0.00 O ATOM 587 CB PRO A 36 2.113 2.355 -4.078 1.00 0.00 C ATOM 588 CG PRO A 36 3.125 1.914 -3.080 1.00 0.00 C ATOM 589 CD PRO A 36 2.523 2.169 -1.721 1.00 0.00 C ATOM 0 HA PRO A 36 -0.038 2.739 -3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.208 1.800 -5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.230 3.411 -4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.362 0.858 -3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.057 2.466 -3.202 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.746 1.358 -1.028 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.914 3.084 -1.277 1.00 0.00 H new ATOM 597 N GLY A 37 -0.250 0.526 -4.949 1.00 0.00 N ATOM 598 CA GLY A 37 -0.754 -0.756 -5.411 1.00 0.00 C ATOM 599 C GLY A 37 -2.270 -0.877 -5.368 1.00 0.00 C ATOM 600 O GLY A 37 -2.825 -1.857 -5.852 1.00 0.00 O ATOM 0 H GLY A 37 -0.342 1.282 -5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.416 -0.921 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.319 -1.547 -4.800 1.00 0.00 H new ATOM 604 N GLY A 38 -2.940 0.120 -4.819 1.00 0.00 N ATOM 605 CA GLY A 38 -4.390 0.104 -4.750 1.00 0.00 C ATOM 606 C GLY A 38 -5.046 0.041 -6.121 1.00 0.00 C ATOM 607 O GLY A 38 -4.404 0.323 -7.136 1.00 0.00 O ATOM 0 H GLY A 38 -2.505 0.949 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.711 -0.754 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.734 0.997 -4.229 1.00 0.00 H new ATOM 611 N LYS A 39 -6.335 -0.324 -6.143 1.00 0.00 N ATOM 612 CA LYS A 39 -7.110 -0.422 -7.380 1.00 0.00 C ATOM 613 C LYS A 39 -6.922 -1.770 -8.070 1.00 0.00 C ATOM 614 O LYS A 39 -7.522 -2.021 -9.115 1.00 0.00 O ATOM 615 CB LYS A 39 -6.766 0.708 -8.349 1.00 0.00 C ATOM 616 CG LYS A 39 -7.734 0.795 -9.516 1.00 0.00 C ATOM 617 CD LYS A 39 -8.378 2.173 -9.641 1.00 0.00 C ATOM 618 CE LYS A 39 -8.915 2.694 -8.310 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.616 1.638 -7.525 1.00 0.00 N ATOM 0 H LYS A 39 -6.866 -0.558 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.157 -0.330 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.767 1.656 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.756 0.559 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.206 0.559 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.514 0.043 -9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.645 2.878 -10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.193 2.125 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.090 3.093 -7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.602 3.519 -8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.481 2.034 -7.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.867 0.848 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.990 1.294 -6.769 1.00 0.00 H new ATOM 633 N ILE A 40 -6.109 -2.643 -7.484 1.00 0.00 N ATOM 634 CA ILE A 40 -5.882 -3.966 -8.060 1.00 0.00 C ATOM 635 C ILE A 40 -7.209 -4.648 -8.364 1.00 0.00 C ATOM 636 O ILE A 40 -7.320 -5.465 -9.276 1.00 0.00 O ATOM 637 CB ILE A 40 -5.044 -4.861 -7.124 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.891 -5.389 -5.953 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.843 -4.082 -6.616 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.676 -6.859 -5.665 1.00 0.00 C ATOM 0 H ILE A 40 -5.600 -2.462 -6.619 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.324 -3.825 -8.985 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.694 -5.726 -7.688 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.657 -4.814 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.945 -5.221 -6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.252 -4.715 -5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.230 -3.767 -7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.184 -3.204 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.305 -7.162 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.938 -7.445 -6.546 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.630 -7.031 -5.413 1.00 0.00 H new ATOM 652 N GLU A 41 -8.204 -4.279 -7.573 1.00 0.00 N ATOM 653 CA GLU A 41 -9.554 -4.806 -7.698 1.00 0.00 C ATOM 654 C GLU A 41 -9.971 -4.892 -9.159 1.00 0.00 C ATOM 655 O GLU A 41 -10.362 -5.957 -9.635 1.00 0.00 O ATOM 656 CB GLU A 41 -10.513 -3.901 -6.928 1.00 0.00 C ATOM 657 CG GLU A 41 -10.264 -2.416 -7.167 1.00 0.00 C ATOM 658 CD GLU A 41 -11.316 -1.781 -8.055 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.467 -2.268 -8.053 1.00 0.00 O ATOM 660 OE2 GLU A 41 -10.991 -0.798 -8.753 1.00 0.00 O ATOM 0 H GLU A 41 -8.097 -3.600 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.583 -5.814 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.537 -4.141 -7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.422 -4.111 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.242 -1.897 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.283 -2.285 -7.623 1.00 0.00 H new ATOM 667 N MET A 42 -9.870 -3.757 -9.854 1.00 0.00 N ATOM 668 CA MET A 42 -10.216 -3.650 -11.280 1.00 0.00 C ATOM 669 C MET A 42 -10.721 -4.972 -11.862 1.00 0.00 C ATOM 670 O MET A 42 -11.919 -5.144 -12.090 1.00 0.00 O ATOM 671 CB MET A 42 -8.997 -3.168 -12.072 1.00 0.00 C ATOM 672 CG MET A 42 -9.269 -1.929 -12.909 1.00 0.00 C ATOM 673 SD MET A 42 -7.764 -1.025 -13.320 1.00 0.00 S ATOM 674 CE MET A 42 -7.951 -0.844 -15.092 1.00 0.00 C ATOM 0 H MET A 42 -9.545 -2.881 -9.445 1.00 0.00 H new ATOM 0 HA MET A 42 -11.029 -2.929 -11.363 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.183 -2.957 -11.378 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.658 -3.971 -12.726 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.776 -2.221 -13.829 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.947 -1.270 -12.366 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.095 -0.303 -15.495 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.007 -1.829 -15.554 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.865 -0.290 -15.307 1.00 0.00 H new ATOM 684 N GLY A 43 -9.798 -5.900 -12.100 1.00 0.00 N ATOM 685 CA GLY A 43 -10.169 -7.189 -12.653 1.00 0.00 C ATOM 686 C GLY A 43 -8.972 -8.041 -13.007 1.00 0.00 C ATOM 687 O GLY A 43 -8.989 -8.778 -13.993 1.00 0.00 O ATOM 0 H GLY A 43 -8.801 -5.782 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.789 -7.723 -11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.776 -7.035 -13.545 1.00 0.00 H new ATOM 691 N GLU A 44 -7.933 -7.932 -12.202 1.00 0.00 N ATOM 692 CA GLU A 44 -6.707 -8.692 -12.423 1.00 0.00 C ATOM 693 C GLU A 44 -6.766 -10.046 -11.720 1.00 0.00 C ATOM 694 O GLU A 44 -7.805 -10.433 -11.184 1.00 0.00 O ATOM 695 CB GLU A 44 -5.497 -7.896 -11.933 1.00 0.00 C ATOM 696 CG GLU A 44 -4.747 -7.183 -13.047 1.00 0.00 C ATOM 697 CD GLU A 44 -5.377 -5.855 -13.417 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.615 -5.810 -13.580 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.633 -4.859 -13.543 1.00 0.00 O ATOM 0 H GLU A 44 -7.909 -7.323 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.607 -8.870 -13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.829 -7.160 -11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.812 -8.571 -11.419 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.715 -7.018 -12.737 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.716 -7.824 -13.928 1.00 0.00 H new ATOM 706 N THR A 45 -5.644 -10.761 -11.722 1.00 0.00 N ATOM 707 CA THR A 45 -5.567 -12.068 -11.083 1.00 0.00 C ATOM 708 C THR A 45 -4.989 -11.937 -9.678 1.00 0.00 C ATOM 709 O THR A 45 -4.225 -11.016 -9.402 1.00 0.00 O ATOM 710 CB THR A 45 -4.703 -13.018 -11.920 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.364 -12.427 -13.163 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.375 -14.341 -12.214 1.00 0.00 C ATOM 0 H THR A 45 -4.775 -10.455 -12.160 1.00 0.00 H new ATOM 0 HA THR A 45 -6.574 -12.479 -11.011 1.00 0.00 H new ATOM 0 HB THR A 45 -3.816 -13.205 -11.314 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.100 -13.126 -13.797 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.708 -14.964 -12.810 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.605 -14.848 -11.277 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.298 -14.165 -12.767 1.00 0.00 H new ATOM 720 N PRO A 46 -5.336 -12.862 -8.766 1.00 0.00 N ATOM 721 CA PRO A 46 -4.839 -12.843 -7.389 1.00 0.00 C ATOM 722 C PRO A 46 -3.343 -12.544 -7.311 1.00 0.00 C ATOM 723 O PRO A 46 -2.853 -12.049 -6.296 1.00 0.00 O ATOM 724 CB PRO A 46 -5.136 -14.262 -6.873 1.00 0.00 C ATOM 725 CG PRO A 46 -5.675 -15.023 -8.044 1.00 0.00 C ATOM 726 CD PRO A 46 -6.230 -14.000 -8.988 1.00 0.00 C ATOM 0 HA PRO A 46 -5.314 -12.058 -6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.233 -14.733 -6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.859 -14.237 -6.058 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.890 -15.609 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.449 -15.723 -7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.204 -14.343 -10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.267 -13.754 -8.759 1.00 0.00 H new ATOM 734 N GLU A 47 -2.621 -12.849 -8.387 1.00 0.00 N ATOM 735 CA GLU A 47 -1.183 -12.611 -8.431 1.00 0.00 C ATOM 736 C GLU A 47 -0.842 -11.384 -9.277 1.00 0.00 C ATOM 737 O GLU A 47 0.052 -10.613 -8.929 1.00 0.00 O ATOM 738 CB GLU A 47 -0.463 -13.842 -8.987 1.00 0.00 C ATOM 739 CG GLU A 47 0.133 -14.735 -7.911 1.00 0.00 C ATOM 740 CD GLU A 47 1.505 -15.260 -8.283 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.757 -15.461 -9.490 1.00 0.00 O ATOM 742 OE2 GLU A 47 2.330 -15.470 -7.368 1.00 0.00 O ATOM 0 H GLU A 47 -3.008 -13.260 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.846 -12.421 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.165 -14.425 -9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.332 -13.516 -9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.203 -14.176 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.537 -15.576 -7.730 1.00 0.00 H new ATOM 749 N GLN A 48 -1.548 -11.210 -10.392 1.00 0.00 N ATOM 750 CA GLN A 48 -1.302 -10.077 -11.281 1.00 0.00 C ATOM 751 C GLN A 48 -1.964 -8.802 -10.766 1.00 0.00 C ATOM 752 O GLN A 48 -1.673 -7.709 -11.248 1.00 0.00 O ATOM 753 CB GLN A 48 -1.806 -10.393 -12.690 1.00 0.00 C ATOM 754 CG GLN A 48 -0.907 -11.347 -13.459 1.00 0.00 C ATOM 755 CD GLN A 48 -1.648 -12.096 -14.548 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.532 -11.545 -15.206 1.00 0.00 O ATOM 757 NE2 GLN A 48 -1.292 -13.360 -14.745 1.00 0.00 N ATOM 0 H GLN A 48 -2.292 -11.836 -10.701 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.226 -9.908 -11.310 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.805 -10.824 -12.621 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.898 -9.463 -13.251 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.085 -10.786 -13.904 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.466 -12.063 -12.766 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.554 -13.777 -14.177 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.756 -13.914 -15.465 1.00 0.00 H new ATOM 766 N ALA A 49 -2.852 -8.940 -9.787 1.00 0.00 N ATOM 767 CA ALA A 49 -3.543 -7.789 -9.222 1.00 0.00 C ATOM 768 C ALA A 49 -2.549 -6.785 -8.659 1.00 0.00 C ATOM 769 O ALA A 49 -2.585 -5.603 -8.998 1.00 0.00 O ATOM 770 CB ALA A 49 -4.517 -8.237 -8.143 1.00 0.00 C ATOM 0 H ALA A 49 -3.109 -9.835 -9.370 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.104 -7.300 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.027 -7.367 -7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.252 -8.916 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.972 -8.749 -7.350 1.00 0.00 H new ATOM 776 N VAL A 50 -1.658 -7.263 -7.798 1.00 0.00 N ATOM 777 CA VAL A 50 -0.649 -6.404 -7.190 1.00 0.00 C ATOM 778 C VAL A 50 0.499 -6.130 -8.158 1.00 0.00 C ATOM 779 O VAL A 50 0.924 -4.989 -8.327 1.00 0.00 O ATOM 780 CB VAL A 50 -0.085 -7.013 -5.876 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.142 -7.842 -5.160 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.159 -7.855 -6.140 1.00 0.00 C ATOM 0 H VAL A 50 -1.614 -8.239 -7.506 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.145 -5.464 -6.949 1.00 0.00 H new ATOM 0 HB VAL A 50 0.200 -6.182 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.721 -8.256 -4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.995 -7.210 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.468 -8.655 -5.809 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.527 -8.265 -5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.909 -8.670 -6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.931 -7.232 -6.591 1.00 0.00 H new ATOM 792 N VAL A 51 1.006 -7.196 -8.771 1.00 0.00 N ATOM 793 CA VAL A 51 2.122 -7.094 -9.703 1.00 0.00 C ATOM 794 C VAL A 51 1.812 -6.142 -10.849 1.00 0.00 C ATOM 795 O VAL A 51 2.681 -5.393 -11.294 1.00 0.00 O ATOM 796 CB VAL A 51 2.498 -8.475 -10.278 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.749 -8.379 -11.140 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.694 -9.486 -9.157 1.00 0.00 C ATOM 0 H VAL A 51 0.658 -8.145 -8.637 1.00 0.00 H new ATOM 0 HA VAL A 51 2.966 -6.699 -9.137 1.00 0.00 H new ATOM 0 HB VAL A 51 1.677 -8.817 -10.909 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.995 -9.365 -11.535 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.569 -7.692 -11.967 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.579 -8.012 -10.537 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.959 -10.454 -9.582 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.494 -9.148 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.770 -9.581 -8.587 1.00 0.00 H new ATOM 808 N ARG A 52 0.574 -6.172 -11.326 1.00 0.00 N ATOM 809 CA ARG A 52 0.176 -5.303 -12.422 1.00 0.00 C ATOM 810 C ARG A 52 0.002 -3.869 -11.939 1.00 0.00 C ATOM 811 O ARG A 52 0.575 -2.939 -12.506 1.00 0.00 O ATOM 812 CB ARG A 52 -1.117 -5.803 -13.068 1.00 0.00 C ATOM 813 CG ARG A 52 -1.425 -5.142 -14.401 1.00 0.00 C ATOM 814 CD ARG A 52 -2.314 -6.020 -15.267 1.00 0.00 C ATOM 815 NE ARG A 52 -1.538 -6.830 -16.204 1.00 0.00 N ATOM 816 CZ ARG A 52 -2.017 -7.903 -16.828 1.00 0.00 C ATOM 817 NH1 ARG A 52 -3.266 -8.300 -16.618 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.245 -8.582 -17.665 1.00 0.00 N ATOM 0 H ARG A 52 -0.164 -6.782 -10.975 1.00 0.00 H new ATOM 0 HA ARG A 52 0.968 -5.323 -13.171 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.047 -6.881 -13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.947 -5.627 -12.384 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.916 -4.184 -14.228 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.494 -4.933 -14.928 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.909 -6.674 -14.629 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.012 -5.393 -15.822 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.573 -6.557 -16.390 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.865 -7.782 -15.975 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.627 -9.123 -17.100 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.284 -8.282 -17.830 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.612 -9.405 -18.144 1.00 0.00 H new ATOM 832 N GLU A 53 -0.786 -3.698 -10.884 1.00 0.00 N ATOM 833 CA GLU A 53 -1.025 -2.375 -10.322 1.00 0.00 C ATOM 834 C GLU A 53 0.273 -1.771 -9.791 1.00 0.00 C ATOM 835 O GLU A 53 0.375 -0.557 -9.615 1.00 0.00 O ATOM 836 CB GLU A 53 -2.068 -2.452 -9.205 1.00 0.00 C ATOM 837 CG GLU A 53 -3.450 -1.990 -9.636 1.00 0.00 C ATOM 838 CD GLU A 53 -3.495 -0.505 -9.938 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.500 0.189 -9.644 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.524 -0.037 -10.470 1.00 0.00 O ATOM 0 H GLU A 53 -1.269 -4.456 -10.402 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.406 -1.731 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.132 -3.480 -8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.735 -1.843 -8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.757 -2.547 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.169 -2.220 -8.849 1.00 0.00 H new ATOM 847 N LEU A 54 1.261 -2.625 -9.534 1.00 0.00 N ATOM 848 CA LEU A 54 2.548 -2.171 -9.023 1.00 0.00 C ATOM 849 C LEU A 54 3.212 -1.209 -9.999 1.00 0.00 C ATOM 850 O LEU A 54 3.730 -0.166 -9.604 1.00 0.00 O ATOM 851 CB LEU A 54 3.466 -3.365 -8.771 1.00 0.00 C ATOM 852 CG LEU A 54 4.218 -3.330 -7.444 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.295 -3.707 -6.293 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.429 -4.249 -7.500 1.00 0.00 C ATOM 0 H LEU A 54 1.193 -3.633 -9.672 1.00 0.00 H new ATOM 0 HA LEU A 54 2.373 -1.646 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.870 -4.277 -8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.192 -3.424 -9.582 1.00 0.00 H new ATOM 0 HG LEU A 54 4.570 -2.313 -7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.851 -3.676 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.465 -3.002 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.908 -4.713 -6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.956 -4.214 -6.547 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.102 -5.270 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.097 -3.922 -8.297 1.00 0.00 H new ATOM 866 N GLN A 55 3.185 -1.562 -11.277 1.00 0.00 N ATOM 867 CA GLN A 55 3.775 -0.722 -12.309 1.00 0.00 C ATOM 868 C GLN A 55 2.967 0.559 -12.465 1.00 0.00 C ATOM 869 O GLN A 55 3.502 1.609 -12.822 1.00 0.00 O ATOM 870 CB GLN A 55 3.832 -1.476 -13.640 1.00 0.00 C ATOM 871 CG GLN A 55 4.412 -0.656 -14.781 1.00 0.00 C ATOM 872 CD GLN A 55 3.625 -0.809 -16.067 1.00 0.00 C ATOM 873 OE1 GLN A 55 2.451 -1.177 -16.051 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.270 -0.525 -17.193 1.00 0.00 N ATOM 0 H GLN A 55 2.761 -2.423 -11.623 1.00 0.00 H new ATOM 0 HA GLN A 55 4.791 -0.464 -12.012 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.430 -2.378 -13.511 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.826 -1.797 -13.909 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.432 0.395 -14.494 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.445 -0.959 -14.953 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.244 -0.223 -17.161 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.791 -0.609 -18.090 1.00 0.00 H new ATOM 883 N GLU A 56 1.671 0.457 -12.194 1.00 0.00 N ATOM 884 CA GLU A 56 0.769 1.593 -12.297 1.00 0.00 C ATOM 885 C GLU A 56 0.908 2.530 -11.108 1.00 0.00 C ATOM 886 O GLU A 56 0.584 3.711 -11.208 1.00 0.00 O ATOM 887 CB GLU A 56 -0.676 1.112 -12.379 1.00 0.00 C ATOM 888 CG GLU A 56 -1.629 2.132 -12.982 1.00 0.00 C ATOM 889 CD GLU A 56 -2.444 2.862 -11.930 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.669 2.285 -10.844 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.857 4.011 -12.192 1.00 0.00 O ATOM 0 H GLU A 56 1.221 -0.409 -11.899 1.00 0.00 H new ATOM 0 HA GLU A 56 1.036 2.137 -13.203 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.712 0.199 -12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.021 0.854 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.059 2.857 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.304 1.629 -13.674 1.00 0.00 H new ATOM 898 N GLU A 57 1.354 2.002 -9.972 1.00 0.00 N ATOM 899 CA GLU A 57 1.484 2.820 -8.775 1.00 0.00 C ATOM 900 C GLU A 57 2.940 3.103 -8.401 1.00 0.00 C ATOM 901 O GLU A 57 3.211 3.679 -7.348 1.00 0.00 O ATOM 902 CB GLU A 57 0.747 2.179 -7.600 1.00 0.00 C ATOM 903 CG GLU A 57 -0.231 3.129 -6.927 1.00 0.00 C ATOM 904 CD GLU A 57 -1.669 2.654 -7.017 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.987 1.900 -7.959 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.476 3.035 -6.143 1.00 0.00 O ATOM 0 H GLU A 57 1.627 1.026 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 57 1.025 3.781 -9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.208 1.299 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.475 1.834 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.044 3.243 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.149 4.114 -7.387 1.00 0.00 H new ATOM 913 N VAL A 58 3.874 2.703 -9.258 1.00 0.00 N ATOM 914 CA VAL A 58 5.291 2.929 -8.990 1.00 0.00 C ATOM 915 C VAL A 58 5.993 3.481 -10.227 1.00 0.00 C ATOM 916 O VAL A 58 6.771 4.431 -10.144 1.00 0.00 O ATOM 917 CB VAL A 58 5.991 1.629 -8.539 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.368 1.931 -7.971 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.142 0.885 -7.515 1.00 0.00 C ATOM 0 H VAL A 58 3.678 2.224 -10.137 1.00 0.00 H new ATOM 0 HA VAL A 58 5.357 3.659 -8.183 1.00 0.00 H new ATOM 0 HB VAL A 58 6.112 0.988 -9.412 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.845 1.002 -7.659 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.979 2.414 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.270 2.595 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.655 -0.028 -7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.984 1.520 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.179 0.630 -7.957 1.00 0.00 H new ATOM 929 N GLY A 59 5.686 2.890 -11.376 1.00 0.00 N ATOM 930 CA GLY A 59 6.260 3.333 -12.633 1.00 0.00 C ATOM 931 C GLY A 59 7.784 3.332 -12.677 1.00 0.00 C ATOM 932 O GLY A 59 8.370 3.786 -13.658 1.00 0.00 O ATOM 0 H GLY A 59 5.042 2.103 -11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.887 2.692 -13.432 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.905 4.342 -12.842 1.00 0.00 H new ATOM 936 N ILE A 60 8.440 2.817 -11.641 1.00 0.00 N ATOM 937 CA ILE A 60 9.895 2.772 -11.628 1.00 0.00 C ATOM 938 C ILE A 60 10.383 1.326 -11.655 1.00 0.00 C ATOM 939 O ILE A 60 9.609 0.409 -11.927 1.00 0.00 O ATOM 940 CB ILE A 60 10.519 3.498 -10.404 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.470 3.939 -9.380 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.335 4.697 -10.862 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.974 3.838 -7.954 1.00 0.00 C ATOM 0 H ILE A 60 7.992 2.430 -10.810 1.00 0.00 H new ATOM 0 HA ILE A 60 10.222 3.300 -12.523 1.00 0.00 H new ATOM 0 HB ILE A 60 11.169 2.778 -9.908 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.176 4.968 -9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.577 3.324 -9.491 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.766 5.196 -9.994 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.135 4.362 -11.523 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.690 5.393 -11.398 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.192 4.162 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.243 2.805 -7.735 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.850 4.474 -7.832 1.00 0.00 H new ATOM 955 N THR A 61 11.667 1.131 -11.375 1.00 0.00 N ATOM 956 CA THR A 61 12.254 -0.202 -11.364 1.00 0.00 C ATOM 957 C THR A 61 12.684 -0.577 -9.956 1.00 0.00 C ATOM 958 O THR A 61 13.808 -0.293 -9.543 1.00 0.00 O ATOM 959 CB THR A 61 13.454 -0.244 -12.301 1.00 0.00 C ATOM 960 OG1 THR A 61 14.266 -1.375 -12.039 1.00 0.00 O ATOM 961 CG2 THR A 61 14.333 0.984 -12.222 1.00 0.00 C ATOM 0 H THR A 61 12.321 1.881 -11.152 1.00 0.00 H new ATOM 0 HA THR A 61 11.507 -0.919 -11.704 1.00 0.00 H new ATOM 0 HB THR A 61 13.024 -0.292 -13.301 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.029 -1.380 -12.655 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.166 0.881 -12.917 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.749 1.867 -12.483 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.718 1.091 -11.208 1.00 0.00 H new ATOM 969 N PRO A 62 11.772 -1.175 -9.177 1.00 0.00 N ATOM 970 CA PRO A 62 12.013 -1.537 -7.805 1.00 0.00 C ATOM 971 C PRO A 62 12.070 -3.027 -7.545 1.00 0.00 C ATOM 972 O PRO A 62 11.205 -3.774 -8.004 1.00 0.00 O ATOM 973 CB PRO A 62 10.735 -0.977 -7.182 1.00 0.00 C ATOM 974 CG PRO A 62 9.672 -1.284 -8.198 1.00 0.00 C ATOM 975 CD PRO A 62 10.382 -1.483 -9.522 1.00 0.00 C ATOM 0 HA PRO A 62 12.971 -1.174 -7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.519 -1.448 -6.223 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.816 0.095 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.116 -2.179 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.952 -0.469 -8.263 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.271 -2.501 -9.894 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.997 -0.817 -10.295 1.00 0.00 H new ATOM 983 N GLN A 63 13.034 -3.454 -6.731 1.00 0.00 N ATOM 984 CA GLN A 63 13.085 -4.850 -6.355 1.00 0.00 C ATOM 985 C GLN A 63 11.965 -5.021 -5.352 1.00 0.00 C ATOM 986 O GLN A 63 12.168 -4.989 -4.138 1.00 0.00 O ATOM 987 CB GLN A 63 14.437 -5.216 -5.739 1.00 0.00 C ATOM 988 CG GLN A 63 15.622 -4.651 -6.502 1.00 0.00 C ATOM 989 CD GLN A 63 16.937 -4.862 -5.778 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.034 -5.689 -4.871 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.957 -4.112 -6.175 1.00 0.00 N ATOM 0 H GLN A 63 13.767 -2.867 -6.333 1.00 0.00 H new ATOM 0 HA GLN A 63 12.969 -5.506 -7.218 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.470 -4.853 -4.712 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.526 -6.302 -5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.673 -5.120 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.469 -3.584 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.831 -3.439 -6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.867 -4.208 -5.724 1.00 0.00 H new ATOM 1000 N HIS A 64 10.769 -5.126 -5.899 1.00 0.00 N ATOM 1001 CA HIS A 64 9.553 -5.218 -5.120 1.00 0.00 C ATOM 1002 C HIS A 64 8.869 -6.544 -5.367 1.00 0.00 C ATOM 1003 O HIS A 64 8.582 -6.897 -6.511 1.00 0.00 O ATOM 1004 CB HIS A 64 8.655 -4.051 -5.536 1.00 0.00 C ATOM 1005 CG HIS A 64 7.265 -4.067 -4.961 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.566 -2.913 -4.672 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.434 -5.093 -4.643 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.372 -3.227 -4.203 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.267 -4.542 -4.175 1.00 0.00 N ATOM 0 H HIS A 64 10.615 -5.150 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 64 9.771 -5.163 -4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.140 -3.120 -5.243 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.580 -4.043 -6.623 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.651 -6.147 -4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.610 -2.526 -3.895 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.451 -5.065 -3.857 1.00 0.00 H new ATOM 1018 N PHE A 65 8.624 -7.290 -4.297 1.00 0.00 N ATOM 1019 CA PHE A 65 7.994 -8.589 -4.431 1.00 0.00 C ATOM 1020 C PHE A 65 7.812 -9.275 -3.081 1.00 0.00 C ATOM 1021 O PHE A 65 8.437 -8.900 -2.092 1.00 0.00 O ATOM 1022 CB PHE A 65 8.865 -9.455 -5.318 1.00 0.00 C ATOM 1023 CG PHE A 65 8.104 -10.483 -6.104 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.327 -10.104 -7.186 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.163 -11.825 -5.764 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.622 -11.041 -7.916 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.460 -12.769 -6.491 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.689 -12.375 -7.569 1.00 0.00 C ATOM 0 H PHE A 65 8.850 -7.019 -3.340 1.00 0.00 H new ATOM 0 HA PHE A 65 7.005 -8.450 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.411 -8.814 -6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.606 -9.961 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.272 -9.062 -7.463 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.764 -12.137 -4.923 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.019 -10.730 -8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.513 -13.812 -6.217 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.140 -13.110 -8.139 1.00 0.00 H new ATOM 1038 N SER A 66 6.954 -10.295 -3.061 1.00 0.00 N ATOM 1039 CA SER A 66 6.671 -11.064 -1.848 1.00 0.00 C ATOM 1040 C SER A 66 5.581 -10.386 -1.031 1.00 0.00 C ATOM 1041 O SER A 66 5.381 -9.175 -1.130 1.00 0.00 O ATOM 1042 CB SER A 66 7.932 -11.245 -0.996 1.00 0.00 C ATOM 1043 OG SER A 66 7.970 -12.533 -0.407 1.00 0.00 O ATOM 0 H SER A 66 6.437 -10.611 -3.882 1.00 0.00 H new ATOM 0 HA SER A 66 6.324 -12.051 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.817 -11.099 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.960 -10.484 -0.216 1.00 0.00 H new ATOM 0 HG SER A 66 8.785 -12.623 0.130 1.00 0.00 H new ATOM 1049 N LEU A 67 4.867 -11.171 -0.230 1.00 0.00 N ATOM 1050 CA LEU A 67 3.790 -10.632 0.589 1.00 0.00 C ATOM 1051 C LEU A 67 4.173 -10.591 2.065 1.00 0.00 C ATOM 1052 O LEU A 67 4.473 -11.621 2.669 1.00 0.00 O ATOM 1053 CB LEU A 67 2.509 -11.452 0.394 1.00 0.00 C ATOM 1054 CG LEU A 67 2.404 -12.726 1.239 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.854 -12.407 2.623 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.528 -13.754 0.537 1.00 0.00 C ATOM 0 H LEU A 67 5.014 -12.176 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 67 3.609 -9.607 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.654 -10.816 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.432 -11.728 -0.658 1.00 0.00 H new ATOM 0 HG LEU A 67 3.403 -13.146 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.787 -13.324 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.518 -11.704 3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.863 -11.964 2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.462 -14.654 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.530 -13.342 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.964 -14.004 -0.430 1.00 0.00 H new ATOM 1068 N PHE A 68 4.146 -9.394 2.644 1.00 0.00 N ATOM 1069 CA PHE A 68 4.471 -9.219 4.054 1.00 0.00 C ATOM 1070 C PHE A 68 3.290 -9.673 4.906 1.00 0.00 C ATOM 1071 O PHE A 68 3.459 -10.298 5.953 1.00 0.00 O ATOM 1072 CB PHE A 68 4.840 -7.749 4.332 1.00 0.00 C ATOM 1073 CG PHE A 68 3.973 -7.044 5.348 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.659 -6.714 5.056 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.483 -6.700 6.591 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.871 -6.055 5.981 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.699 -6.043 7.521 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.391 -5.719 7.215 1.00 0.00 C ATOM 0 H PHE A 68 3.902 -8.531 2.157 1.00 0.00 H new ATOM 0 HA PHE A 68 5.335 -9.830 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.875 -7.710 4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.793 -7.197 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.245 -6.975 4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.505 -6.948 6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.849 -5.803 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.109 -5.783 8.486 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.777 -5.204 7.939 1.00 0.00 H new ATOM 1088 N GLU A 69 2.094 -9.358 4.427 1.00 0.00 N ATOM 1089 CA GLU A 69 0.859 -9.726 5.102 1.00 0.00 C ATOM 1090 C GLU A 69 -0.333 -9.402 4.210 1.00 0.00 C ATOM 1091 O GLU A 69 -0.367 -8.356 3.567 1.00 0.00 O ATOM 1092 CB GLU A 69 0.733 -8.997 6.441 1.00 0.00 C ATOM 1093 CG GLU A 69 0.545 -9.931 7.625 1.00 0.00 C ATOM 1094 CD GLU A 69 0.510 -9.193 8.949 1.00 0.00 C ATOM 1095 OE1 GLU A 69 1.053 -8.070 9.017 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -0.058 -9.739 9.918 1.00 0.00 O ATOM 0 H GLU A 69 1.954 -8.840 3.559 1.00 0.00 H new ATOM 0 HA GLU A 69 0.877 -10.798 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.626 -8.394 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.111 -8.309 6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.383 -10.489 7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.355 -10.660 7.641 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.306 -10.299 4.165 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.490 -10.088 3.342 1.00 0.00 C ATOM 1105 C LYS A 70 -3.736 -10.630 4.038 1.00 0.00 C ATOM 1106 O LYS A 70 -3.955 -11.841 4.077 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.316 -10.768 1.982 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.823 -12.203 2.077 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.956 -13.197 1.882 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.529 -14.363 1.004 1.00 0.00 C ATOM 1111 NZ LYS A 70 -3.021 -14.215 -0.393 1.00 0.00 N ATOM 0 H LYS A 70 -1.301 -11.176 4.685 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.615 -9.016 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.269 -10.755 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.612 -10.190 1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.054 -12.375 1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.359 -12.365 3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.284 -13.571 2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.810 -12.693 1.429 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.441 -14.435 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.909 -15.293 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.432 -14.788 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.008 -14.538 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.967 -13.216 -0.676 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.549 -9.734 4.588 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.769 -10.140 5.281 1.00 0.00 C ATOM 1127 C LEU A 71 -7.004 -9.832 4.442 1.00 0.00 C ATOM 1128 O LEU A 71 -6.999 -8.914 3.622 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.871 -9.439 6.637 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.013 -7.918 6.573 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.455 -7.526 6.288 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -5.534 -7.286 7.870 1.00 0.00 C ATOM 0 H LEU A 71 -4.388 -8.727 4.568 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.721 -11.217 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.727 -9.846 7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.983 -9.681 7.221 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.391 -7.548 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.535 -6.440 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.765 -7.950 5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.099 -7.907 7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.642 -6.203 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.130 -7.663 8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.486 -7.538 8.032 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.062 -10.610 4.651 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.305 -10.427 3.917 1.00 0.00 C ATOM 1146 C GLU A 72 -10.506 -10.506 4.859 1.00 0.00 C ATOM 1147 O GLU A 72 -10.756 -11.541 5.478 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.417 -11.484 2.812 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.840 -11.749 2.350 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.901 -12.642 1.126 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -9.996 -13.487 0.961 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.854 -12.496 0.332 1.00 0.00 O ATOM 0 H GLU A 72 -8.081 -11.375 5.325 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.300 -9.437 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.822 -11.164 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.983 -12.417 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.401 -12.213 3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.328 -10.800 2.127 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.246 -9.407 4.958 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.424 -9.349 5.819 1.00 0.00 C ATOM 1161 C TYR A 73 -13.579 -8.659 5.099 1.00 0.00 C ATOM 1162 O TYR A 73 -13.363 -7.820 4.227 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.098 -8.606 7.115 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.689 -7.166 6.903 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.528 -6.849 6.208 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.464 -6.124 7.395 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.151 -5.534 6.011 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.094 -4.806 7.202 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.938 -4.516 6.510 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.566 -3.206 6.315 1.00 0.00 O ATOM 0 H TYR A 73 -11.051 -8.543 4.452 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.723 -10.369 6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.970 -8.634 7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.294 -9.130 7.632 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.910 -7.643 5.815 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.371 -6.347 7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.245 -5.304 5.469 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.708 -4.007 7.592 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.749 -2.690 7.128 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.805 -9.016 5.467 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.985 -8.423 4.844 1.00 0.00 C ATOM 1182 C GLU A 74 -16.868 -7.729 5.874 1.00 0.00 C ATOM 1183 O GLU A 74 -17.063 -8.224 6.983 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.798 -9.480 4.093 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.839 -10.832 4.785 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.269 -11.950 3.857 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.092 -11.690 2.954 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.783 -13.087 4.033 1.00 0.00 O ATOM 0 H GLU A 74 -15.008 -9.708 6.188 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.633 -7.677 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.818 -9.117 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.378 -9.606 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.852 -11.059 5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.525 -10.782 5.630 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.397 -6.577 5.485 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.264 -5.789 6.339 1.00 0.00 C ATOM 1197 C PHE A 75 -19.714 -5.909 5.876 1.00 0.00 C ATOM 1198 O PHE A 75 -19.976 -6.333 4.752 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.819 -4.329 6.311 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.956 -3.924 7.474 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.212 -4.393 8.755 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -15.882 -3.070 7.282 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.414 -4.015 9.818 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.081 -2.689 8.341 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.348 -3.162 9.611 1.00 0.00 C ATOM 0 H PHE A 75 -17.235 -6.165 4.566 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.197 -6.164 7.360 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.272 -4.145 5.386 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.703 -3.692 6.290 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -18.044 -5.061 8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.668 -2.697 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.624 -4.387 10.810 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.247 -2.022 8.176 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.724 -2.865 10.441 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.678 -5.537 6.736 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.104 -5.605 6.408 1.00 0.00 C ATOM 1217 C PRO A 76 -22.439 -4.832 5.138 1.00 0.00 C ATOM 1218 O PRO A 76 -22.896 -3.690 5.197 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.799 -4.974 7.624 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.722 -4.267 8.373 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.454 -5.016 8.088 1.00 0.00 C ATOM 0 HA PRO A 76 -22.424 -6.629 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.581 -4.281 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.274 -5.735 8.244 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.641 -3.229 8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.935 -4.254 9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.582 -4.364 8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.288 -5.818 8.808 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.203 -5.476 3.996 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.466 -4.893 2.673 1.00 0.00 C ATOM 1231 C ASP A 77 -21.202 -4.288 2.061 1.00 0.00 C ATOM 1232 O ASP A 77 -21.258 -3.666 1.001 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.571 -3.832 2.737 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.288 -3.663 1.411 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -23.647 -3.199 0.445 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.490 -3.996 1.339 1.00 0.00 O ATOM 0 H ASP A 77 -21.822 -6.421 3.958 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.802 -5.709 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.293 -4.109 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.138 -2.878 3.037 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.062 -4.477 2.723 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.795 -3.950 2.222 1.00 0.00 C ATOM 1243 C ARG A 78 -17.680 -4.981 2.377 1.00 0.00 C ATOM 1244 O ARG A 78 -17.058 -5.079 3.433 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.422 -2.662 2.960 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.680 -1.660 2.090 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.499 -0.325 2.797 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.733 -0.455 4.036 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.027 0.537 4.583 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -15.985 1.731 4.004 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.364 0.336 5.716 1.00 0.00 N ATOM 0 H ARG A 78 -19.990 -4.988 3.603 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.917 -3.727 1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.330 -2.196 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.803 -2.912 3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.704 -2.064 1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.229 -1.508 1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -16.992 0.372 2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.477 0.102 3.020 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.739 -1.358 4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.494 1.895 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.443 2.484 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.394 -0.577 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.825 1.095 6.133 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.428 -5.747 1.320 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.385 -6.765 1.353 1.00 0.00 C ATOM 1267 C HIS A 79 -15.063 -6.199 0.853 1.00 0.00 C ATOM 1268 O HIS A 79 -14.854 -6.054 -0.351 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.790 -7.973 0.506 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.910 -9.168 0.706 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.761 -9.136 1.468 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -16.015 -10.435 0.240 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.197 -10.331 1.462 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.938 -11.136 0.724 1.00 0.00 N ATOM 0 H HIS A 79 -17.929 -5.682 0.434 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.257 -7.086 2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.818 -8.245 0.745 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.771 -7.691 -0.547 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.799 -10.822 -0.394 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.285 -10.603 1.974 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.742 -12.120 0.542 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.171 -5.876 1.784 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.874 -5.324 1.434 1.00 0.00 C ATOM 1285 C ILE A 80 -11.774 -6.372 1.561 1.00 0.00 C ATOM 1286 O ILE A 80 -11.775 -7.186 2.482 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.506 -4.112 2.322 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.015 -3.797 2.191 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -12.855 -4.393 3.775 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.663 -2.354 2.472 1.00 0.00 C ATOM 0 H ILE A 80 -14.326 -5.988 2.786 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.951 -4.996 0.397 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.081 -3.249 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.458 -4.436 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.688 -4.050 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.590 -3.530 4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.925 -4.584 3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.301 -5.266 4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.588 -2.213 2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.190 -1.708 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.956 -2.100 3.491 1.00 0.00 H new ATOM 1302 N THR A 81 -10.821 -6.315 0.643 1.00 0.00 N ATOM 1303 CA THR A 81 -9.688 -7.227 0.657 1.00 0.00 C ATOM 1304 C THR A 81 -8.402 -6.416 0.706 1.00 0.00 C ATOM 1305 O THR A 81 -8.126 -5.628 -0.196 1.00 0.00 O ATOM 1306 CB THR A 81 -9.704 -8.127 -0.582 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.856 -7.880 -1.370 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.685 -9.603 -0.250 1.00 0.00 C ATOM 0 H THR A 81 -10.810 -5.643 -0.124 1.00 0.00 H new ATOM 0 HA THR A 81 -9.751 -7.867 1.537 1.00 0.00 H new ATOM 0 HB THR A 81 -8.793 -7.881 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.020 -8.646 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.698 -10.184 -1.172 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.782 -9.837 0.314 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.561 -9.853 0.348 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.624 -6.588 1.766 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.385 -5.836 1.908 1.00 0.00 C ATOM 1318 C LEU A 82 -5.169 -6.748 1.855 1.00 0.00 C ATOM 1319 O LEU A 82 -4.950 -7.568 2.747 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.398 -5.054 3.227 1.00 0.00 C ATOM 1321 CG LEU A 82 -5.724 -3.678 3.186 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.174 -2.890 1.966 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.021 -2.899 4.461 1.00 0.00 C ATOM 0 H LEU A 82 -7.825 -7.233 2.531 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.316 -5.140 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.434 -4.923 3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.907 -5.657 3.991 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.647 -3.831 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.682 -1.917 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.909 -3.437 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.254 -2.750 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.534 -1.925 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.098 -2.762 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.644 -3.452 5.321 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.368 -6.581 0.807 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.159 -7.372 0.639 1.00 0.00 C ATOM 1337 C TRP A 83 -1.941 -6.477 0.741 1.00 0.00 C ATOM 1338 O TRP A 83 -1.787 -5.527 -0.023 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.151 -8.088 -0.714 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.277 -9.057 -0.882 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.554 -8.894 -0.450 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.226 -10.335 -1.525 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.310 -9.989 -0.783 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.516 -10.891 -1.443 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.218 -11.065 -2.161 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.824 -12.141 -1.975 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.524 -12.306 -2.687 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.819 -12.832 -2.591 1.00 0.00 C ATOM 0 H TRP A 83 -4.537 -5.904 0.063 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.134 -8.123 1.429 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.200 -7.345 -1.510 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.206 -8.618 -0.830 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.921 -8.027 0.079 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.301 -10.112 -0.574 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.217 -10.666 -2.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.821 -12.549 -1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.753 -12.879 -3.180 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.027 -13.804 -3.013 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.074 -6.793 1.684 1.00 0.00 N ATOM 1360 CA PHE A 84 0.146 -6.016 1.879 1.00 0.00 C ATOM 1361 C PHE A 84 1.366 -6.834 1.460 1.00 0.00 C ATOM 1362 O PHE A 84 1.638 -7.894 2.024 1.00 0.00 O ATOM 1363 CB PHE A 84 0.279 -5.545 3.335 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.454 -4.263 3.634 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.622 -3.938 2.959 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.024 -3.381 4.595 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.296 -2.764 3.232 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.648 -2.205 4.870 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.809 -1.897 4.189 1.00 0.00 C ATOM 0 H PHE A 84 -1.186 -7.577 2.327 1.00 0.00 H new ATOM 0 HA PHE A 84 0.088 -5.128 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.095 -6.328 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.335 -5.410 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.009 -4.613 2.210 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.930 -3.617 5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.203 -2.525 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.265 -1.527 5.618 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.335 -0.979 4.405 1.00 0.00 H new ATOM 1379 N TRP A 85 2.078 -6.347 0.446 1.00 0.00 N ATOM 1380 CA TRP A 85 3.249 -7.044 -0.075 1.00 0.00 C ATOM 1381 C TRP A 85 4.556 -6.376 0.344 1.00 0.00 C ATOM 1382 O TRP A 85 4.624 -5.160 0.516 1.00 0.00 O ATOM 1383 CB TRP A 85 3.172 -7.132 -1.599 1.00 0.00 C ATOM 1384 CG TRP A 85 2.039 -7.984 -2.083 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.721 -7.858 -1.754 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.124 -9.096 -2.982 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.020 -8.823 -2.393 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.819 -9.595 -3.153 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.176 -9.716 -3.661 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.540 -10.685 -3.973 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.898 -10.798 -4.475 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.589 -11.273 -4.625 1.00 0.00 C ATOM 0 H TRP A 85 1.863 -5.471 -0.031 1.00 0.00 H new ATOM 0 HA TRP A 85 3.245 -8.047 0.352 1.00 0.00 H new ATOM 0 HB2 TRP A 85 3.065 -6.128 -2.010 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.110 -7.534 -1.981 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.319 -7.109 -1.088 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.030 -8.945 -2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.188 -9.356 -3.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.469 -11.053 -4.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.704 -11.285 -5.004 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.404 -12.121 -5.268 1.00 0.00 H new ATOM 1403 N LEU A 86 5.594 -7.195 0.506 1.00 0.00 N ATOM 1404 CA LEU A 86 6.911 -6.709 0.904 1.00 0.00 C ATOM 1405 C LEU A 86 7.730 -6.261 -0.308 1.00 0.00 C ATOM 1406 O LEU A 86 7.720 -6.907 -1.352 1.00 0.00 O ATOM 1407 CB LEU A 86 7.664 -7.797 1.671 1.00 0.00 C ATOM 1408 CG LEU A 86 9.105 -7.449 2.047 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.130 -6.420 3.168 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.866 -8.701 2.453 1.00 0.00 C ATOM 0 H LEU A 86 5.546 -8.204 0.366 1.00 0.00 H new ATOM 0 HA LEU A 86 6.767 -5.845 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.112 -8.024 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.672 -8.705 1.068 1.00 0.00 H new ATOM 0 HG LEU A 86 9.595 -7.017 1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.163 -6.184 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.621 -5.513 2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.624 -6.824 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.889 -8.435 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.377 -9.161 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.877 -9.406 1.621 1.00 0.00 H new ATOM 1422 N VAL A 87 8.425 -5.143 -0.155 1.00 0.00 N ATOM 1423 CA VAL A 87 9.256 -4.577 -1.220 1.00 0.00 C ATOM 1424 C VAL A 87 10.676 -4.394 -0.748 1.00 0.00 C ATOM 1425 O VAL A 87 10.901 -4.109 0.427 1.00 0.00 O ATOM 1426 CB VAL A 87 8.737 -3.221 -1.667 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.469 -2.733 -2.908 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.242 -3.306 -1.906 1.00 0.00 C ATOM 0 H VAL A 87 8.432 -4.600 0.708 1.00 0.00 H new ATOM 0 HA VAL A 87 9.219 -5.278 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 87 8.926 -2.492 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.076 -1.760 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.533 -2.643 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.323 -3.445 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.869 -2.333 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.039 -4.046 -2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.742 -3.600 -0.983 1.00 0.00 H new ATOM 1438 N GLU A 88 11.641 -4.579 -1.637 1.00 0.00 N ATOM 1439 CA GLU A 88 13.026 -4.436 -1.224 1.00 0.00 C ATOM 1440 C GLU A 88 13.753 -3.225 -1.831 1.00 0.00 C ATOM 1441 O GLU A 88 14.737 -2.764 -1.253 1.00 0.00 O ATOM 1442 CB GLU A 88 13.813 -5.714 -1.532 1.00 0.00 C ATOM 1443 CG GLU A 88 12.963 -6.976 -1.530 1.00 0.00 C ATOM 1444 CD GLU A 88 13.785 -8.233 -1.735 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.266 -8.450 -2.867 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.949 -9.001 -0.764 1.00 0.00 O ATOM 0 H GLU A 88 11.498 -4.821 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 88 12.986 -4.259 -0.149 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.289 -5.610 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.611 -5.824 -0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.427 -7.047 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.212 -6.905 -2.317 1.00 0.00 H new ATOM 1453 N ARG A 89 13.316 -2.709 -2.985 1.00 0.00 N ATOM 1454 CA ARG A 89 14.022 -1.567 -3.582 1.00 0.00 C ATOM 1455 C ARG A 89 13.178 -0.849 -4.634 1.00 0.00 C ATOM 1456 O ARG A 89 12.210 -1.404 -5.135 1.00 0.00 O ATOM 1457 CB ARG A 89 15.357 -2.056 -4.178 1.00 0.00 C ATOM 1458 CG ARG A 89 15.804 -1.353 -5.459 1.00 0.00 C ATOM 1459 CD ARG A 89 16.546 -0.061 -5.158 1.00 0.00 C ATOM 1460 NE ARG A 89 17.991 -0.210 -5.319 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.600 -0.300 -6.500 1.00 0.00 C ATOM 1462 NH1 ARG A 89 17.894 -0.257 -7.624 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.918 -0.434 -6.557 1.00 0.00 N ATOM 0 H ARG A 89 12.509 -3.047 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 89 14.218 -0.835 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.137 -1.933 -3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.275 -3.124 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.449 -2.018 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.934 -1.138 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.187 0.726 -5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.325 0.255 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 89 18.567 -0.247 -4.478 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.880 -0.155 -7.586 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.366 -0.326 -8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.465 -0.468 -5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.385 -0.503 -7.461 1.00 0.00 H new ATOM 1477 N TRP A 90 13.582 0.381 -4.973 1.00 0.00 N ATOM 1478 CA TRP A 90 12.899 1.184 -5.990 1.00 0.00 C ATOM 1479 C TRP A 90 13.836 2.251 -6.557 1.00 0.00 C ATOM 1480 O TRP A 90 14.387 3.057 -5.807 1.00 0.00 O ATOM 1481 CB TRP A 90 11.613 1.800 -5.419 1.00 0.00 C ATOM 1482 CG TRP A 90 11.782 3.143 -4.776 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.074 4.323 -5.398 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.642 3.444 -3.385 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.133 5.337 -4.475 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.867 4.825 -3.234 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.350 2.682 -2.250 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.807 5.457 -1.998 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.288 3.312 -1.023 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.515 4.688 -0.906 1.00 0.00 C ATOM 0 H TRP A 90 14.387 0.844 -4.552 1.00 0.00 H new ATOM 0 HA TRP A 90 12.612 0.531 -6.814 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.883 1.889 -6.224 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.195 1.113 -4.684 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.235 4.441 -6.459 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.341 6.314 -4.681 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.176 1.619 -2.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.985 6.518 -1.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.061 2.734 -0.140 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.458 5.152 0.068 1.00 0.00 H new ATOM 1501 N GLU A 91 14.035 2.253 -7.883 1.00 0.00 N ATOM 1502 CA GLU A 91 14.926 3.234 -8.496 1.00 0.00 C ATOM 1503 C GLU A 91 14.278 4.613 -8.542 1.00 0.00 C ATOM 1504 O GLU A 91 13.058 4.734 -8.648 1.00 0.00 O ATOM 1505 CB GLU A 91 15.318 2.799 -9.907 1.00 0.00 C ATOM 1506 CG GLU A 91 16.275 3.758 -10.596 1.00 0.00 C ATOM 1507 CD GLU A 91 17.306 3.040 -11.445 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.909 2.186 -12.266 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.510 3.332 -11.289 1.00 0.00 O ATOM 0 H GLU A 91 13.600 1.600 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 91 15.824 3.294 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.778 1.812 -9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.416 2.702 -10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.707 4.445 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.784 4.361 -9.844 1.00 0.00 H new ATOM 1516 N GLY A 92 15.107 5.650 -8.464 1.00 0.00 N ATOM 1517 CA GLY A 92 14.603 7.009 -8.498 1.00 0.00 C ATOM 1518 C GLY A 92 13.530 7.258 -7.458 1.00 0.00 C ATOM 1519 O GLY A 92 13.786 7.168 -6.257 1.00 0.00 O ATOM 0 H GLY A 92 16.120 5.572 -8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.428 7.703 -8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.199 7.218 -9.489 1.00 0.00 H new ATOM 1523 N GLU A 93 12.324 7.570 -7.921 1.00 0.00 N ATOM 1524 CA GLU A 93 11.207 7.830 -7.023 1.00 0.00 C ATOM 1525 C GLU A 93 9.946 7.121 -7.511 1.00 0.00 C ATOM 1526 O GLU A 93 9.704 7.038 -8.714 1.00 0.00 O ATOM 1527 CB GLU A 93 10.952 9.334 -6.914 1.00 0.00 C ATOM 1528 CG GLU A 93 12.217 10.154 -6.717 1.00 0.00 C ATOM 1529 CD GLU A 93 12.020 11.620 -7.054 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.599 12.382 -6.159 1.00 0.00 O ATOM 1531 OE2 GLU A 93 12.288 12.004 -8.211 1.00 0.00 O ATOM 0 H GLU A 93 12.096 7.649 -8.912 1.00 0.00 H new ATOM 0 HA GLU A 93 11.464 7.442 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.446 9.674 -7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.275 9.520 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.546 10.064 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.012 9.745 -7.341 1.00 0.00 H new ATOM 1538 N PRO A 94 9.116 6.607 -6.587 1.00 0.00 N ATOM 1539 CA PRO A 94 7.875 5.919 -6.933 1.00 0.00 C ATOM 1540 C PRO A 94 6.795 6.908 -7.329 1.00 0.00 C ATOM 1541 O PRO A 94 6.534 7.873 -6.611 1.00 0.00 O ATOM 1542 CB PRO A 94 7.487 5.181 -5.638 1.00 0.00 C ATOM 1543 CG PRO A 94 8.625 5.399 -4.691 1.00 0.00 C ATOM 1544 CD PRO A 94 9.294 6.664 -5.136 1.00 0.00 C ATOM 0 HA PRO A 94 7.994 5.248 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.556 5.573 -5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.331 4.118 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.268 5.486 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.320 4.560 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.826 7.548 -4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.347 6.690 -4.855 1.00 0.00 H new ATOM 1552 N TRP A 95 6.175 6.682 -8.478 1.00 0.00 N ATOM 1553 CA TRP A 95 5.137 7.583 -8.948 1.00 0.00 C ATOM 1554 C TRP A 95 3.898 6.840 -9.406 1.00 0.00 C ATOM 1555 O TRP A 95 2.804 7.057 -8.885 1.00 0.00 O ATOM 1556 CB TRP A 95 5.657 8.449 -10.098 1.00 0.00 C ATOM 1557 CG TRP A 95 6.428 7.695 -11.150 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.764 7.439 -11.147 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.915 7.116 -12.360 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.128 6.762 -12.288 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.007 6.552 -13.050 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.641 7.023 -12.930 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.863 5.916 -14.281 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.500 6.385 -14.148 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.605 5.844 -14.815 1.00 0.00 C ATOM 0 H TRP A 95 6.370 5.893 -9.094 1.00 0.00 H new ATOM 0 HA TRP A 95 4.863 8.214 -8.103 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.811 8.946 -10.572 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.297 9.230 -9.687 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.444 7.727 -10.359 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.074 6.466 -12.527 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.782 7.443 -12.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.714 5.495 -14.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.519 6.302 -14.593 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.462 5.360 -15.770 1.00 0.00 H new ATOM 1576 N GLY A 96 4.075 5.980 -10.399 1.00 0.00 N ATOM 1577 CA GLY A 96 2.959 5.225 -10.945 1.00 0.00 C ATOM 1578 C GLY A 96 1.709 6.072 -11.130 1.00 0.00 C ATOM 1579 O GLY A 96 1.539 6.729 -12.157 1.00 0.00 O ATOM 0 H GLY A 96 4.975 5.789 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.249 4.799 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.732 4.390 -10.282 1.00 0.00 H new ATOM 1583 N LYS A 97 0.835 6.051 -10.124 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.410 6.815 -10.160 1.00 0.00 C ATOM 1585 C LYS A 97 -1.272 6.502 -8.937 1.00 0.00 C ATOM 1586 O LYS A 97 -2.494 6.391 -9.039 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.192 6.508 -11.442 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.664 7.751 -12.178 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.909 7.466 -13.651 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.084 8.269 -14.186 1.00 0.00 C ATOM 1591 NZ LYS A 97 -4.385 7.599 -13.912 1.00 0.00 N ATOM 0 H LYS A 97 0.968 5.510 -9.270 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.156 7.875 -10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.563 5.918 -12.109 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.057 5.893 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.582 8.120 -11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.918 8.540 -12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.013 7.706 -14.223 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.101 6.402 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.083 9.260 -13.732 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.968 8.411 -15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.161 8.178 -14.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.396 6.664 -14.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.508 7.487 -12.885 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.628 6.362 -7.780 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.335 6.063 -6.537 1.00 0.00 C ATOM 1607 C GLU A 98 -2.386 7.130 -6.242 1.00 0.00 C ATOM 1608 O GLU A 98 -3.525 6.812 -5.899 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.341 5.963 -5.377 1.00 0.00 C ATOM 1610 CG GLU A 98 0.455 7.238 -5.146 1.00 0.00 C ATOM 1611 CD GLU A 98 1.455 7.104 -4.014 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.664 5.970 -3.535 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.031 8.135 -3.606 1.00 0.00 O ATOM 0 H GLU A 98 0.383 6.451 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.843 5.105 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.883 5.713 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.350 5.143 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.982 7.504 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.231 8.055 -4.925 1.00 0.00 H new ATOM 1620 N GLY A 99 -2.003 8.396 -6.387 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.935 9.481 -6.141 1.00 0.00 C ATOM 1622 C GLY A 99 -2.363 10.573 -5.255 1.00 0.00 C ATOM 1623 O GLY A 99 -2.557 11.758 -5.522 1.00 0.00 O ATOM 0 H GLY A 99 -1.067 8.688 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.236 9.916 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.835 9.079 -5.676 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.668 10.179 -4.192 1.00 0.00 N ATOM 1628 CA GLN A 100 -1.086 11.144 -3.264 1.00 0.00 C ATOM 1629 C GLN A 100 0.406 10.906 -3.063 1.00 0.00 C ATOM 1630 O GLN A 100 0.813 9.946 -2.410 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.807 11.084 -1.916 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.158 9.674 -1.471 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.625 9.346 -1.674 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.498 10.183 -1.440 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.903 8.124 -2.112 1.00 0.00 N ATOM 0 H GLN A 100 -1.494 9.203 -3.952 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.212 12.135 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.178 11.549 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.721 11.674 -1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.550 8.960 -2.026 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.906 9.556 -0.417 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.148 7.463 -2.293 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.872 7.846 -2.268 1.00 0.00 H new ATOM 1644 N PRO A 101 1.243 11.801 -3.617 1.00 0.00 N ATOM 1645 CA PRO A 101 2.701 11.712 -3.496 1.00 0.00 C ATOM 1646 C PRO A 101 3.150 11.364 -2.078 1.00 0.00 C ATOM 1647 O PRO A 101 2.514 11.762 -1.101 1.00 0.00 O ATOM 1648 CB PRO A 101 3.140 13.127 -3.859 1.00 0.00 C ATOM 1649 CG PRO A 101 2.138 13.567 -4.863 1.00 0.00 C ATOM 1650 CD PRO A 101 0.832 12.984 -4.405 1.00 0.00 C ATOM 0 HA PRO A 101 3.127 10.928 -4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.144 13.780 -2.986 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.149 13.139 -4.271 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.086 14.654 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.399 13.212 -5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.265 13.692 -3.801 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.199 12.706 -5.247 1.00 0.00 H new ATOM 1658 N GLY A 102 4.243 10.615 -1.972 1.00 0.00 N ATOM 1659 CA GLY A 102 4.748 10.222 -0.668 1.00 0.00 C ATOM 1660 C GLY A 102 6.223 10.531 -0.484 1.00 0.00 C ATOM 1661 O GLY A 102 6.886 11.013 -1.403 1.00 0.00 O ATOM 0 H GLY A 102 4.788 10.273 -2.764 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.176 10.734 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.587 9.153 -0.529 1.00 0.00 H new ATOM 1665 N GLU A 103 6.735 10.247 0.710 1.00 0.00 N ATOM 1666 CA GLU A 103 8.138 10.487 1.029 1.00 0.00 C ATOM 1667 C GLU A 103 8.759 9.245 1.664 1.00 0.00 C ATOM 1668 O GLU A 103 8.049 8.404 2.214 1.00 0.00 O ATOM 1669 CB GLU A 103 8.275 11.682 1.976 1.00 0.00 C ATOM 1670 CG GLU A 103 7.603 11.470 3.323 1.00 0.00 C ATOM 1671 CD GLU A 103 7.498 12.749 4.129 1.00 0.00 C ATOM 1672 OE1 GLU A 103 7.098 13.783 3.553 1.00 0.00 O ATOM 1673 OE2 GLU A 103 7.815 12.719 5.336 1.00 0.00 O ATOM 0 H GLU A 103 6.194 9.848 1.477 1.00 0.00 H new ATOM 0 HA GLU A 103 8.667 10.711 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.333 11.889 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.846 12.564 1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.605 11.060 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.165 10.731 3.893 1.00 0.00 H new ATOM 1680 N TRP A 104 10.083 9.129 1.586 1.00 0.00 N ATOM 1681 CA TRP A 104 10.770 7.973 2.161 1.00 0.00 C ATOM 1682 C TRP A 104 10.812 8.085 3.682 1.00 0.00 C ATOM 1683 O TRP A 104 11.568 8.884 4.237 1.00 0.00 O ATOM 1684 CB TRP A 104 12.201 7.846 1.603 1.00 0.00 C ATOM 1685 CG TRP A 104 12.412 8.559 0.300 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.562 8.585 -0.768 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.546 9.352 -0.071 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.098 9.342 -1.780 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.316 9.825 -1.377 1.00 0.00 C ATOM 1690 CE3 TRP A 104 14.734 9.708 0.574 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.228 10.633 -2.048 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 15.639 10.511 -0.093 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.383 10.967 -1.393 1.00 0.00 C ATOM 0 H TRP A 104 10.695 9.810 1.137 1.00 0.00 H new ATOM 0 HA TRP A 104 10.213 7.078 1.884 1.00 0.00 H new ATOM 0 HB2 TRP A 104 12.903 8.239 2.338 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.436 6.790 1.470 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.607 8.083 -0.811 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.661 9.517 -2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 104 14.941 9.362 1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.032 10.984 -3.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.560 10.792 0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.110 11.594 -1.888 1.00 0.00 H new ATOM 1704 N MET A 105 9.994 7.276 4.350 1.00 0.00 N ATOM 1705 CA MET A 105 9.933 7.277 5.808 1.00 0.00 C ATOM 1706 C MET A 105 10.285 5.905 6.374 1.00 0.00 C ATOM 1707 O MET A 105 10.260 4.905 5.660 1.00 0.00 O ATOM 1708 CB MET A 105 8.541 7.697 6.285 1.00 0.00 C ATOM 1709 CG MET A 105 7.406 7.070 5.493 1.00 0.00 C ATOM 1710 SD MET A 105 5.800 7.781 5.902 1.00 0.00 S ATOM 1711 CE MET A 105 5.852 9.301 4.956 1.00 0.00 C ATOM 0 H MET A 105 9.363 6.610 3.903 1.00 0.00 H new ATOM 0 HA MET A 105 10.666 7.997 6.172 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.431 7.428 7.335 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.458 8.782 6.224 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.596 7.200 4.428 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.384 5.997 5.684 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.837 9.664 4.795 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.423 10.051 5.503 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.327 9.114 3.993 1.00 0.00 H new ATOM 1721 N SER A 106 10.599 5.864 7.665 1.00 0.00 N ATOM 1722 CA SER A 106 10.940 4.610 8.326 1.00 0.00 C ATOM 1723 C SER A 106 9.677 3.822 8.662 1.00 0.00 C ATOM 1724 O SER A 106 8.859 4.261 9.470 1.00 0.00 O ATOM 1725 CB SER A 106 11.744 4.880 9.599 1.00 0.00 C ATOM 1726 OG SER A 106 11.114 5.865 10.401 1.00 0.00 O ATOM 0 H SER A 106 10.624 6.683 8.273 1.00 0.00 H new ATOM 0 HA SER A 106 11.550 4.018 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.851 3.957 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.749 5.210 9.335 1.00 0.00 H new ATOM 0 HG SER A 106 10.144 5.727 10.387 1.00 0.00 H new ATOM 1732 N LEU A 107 9.522 2.661 8.034 1.00 0.00 N ATOM 1733 CA LEU A 107 8.352 1.818 8.263 1.00 0.00 C ATOM 1734 C LEU A 107 8.287 1.334 9.710 1.00 0.00 C ATOM 1735 O LEU A 107 7.231 0.916 10.184 1.00 0.00 O ATOM 1736 CB LEU A 107 8.357 0.625 7.305 1.00 0.00 C ATOM 1737 CG LEU A 107 7.039 0.387 6.565 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.980 -0.143 7.519 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.564 1.670 5.897 1.00 0.00 C ATOM 0 H LEU A 107 10.190 2.282 7.363 1.00 0.00 H new ATOM 0 HA LEU A 107 7.465 2.422 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.148 0.771 6.570 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.608 -0.274 7.868 1.00 0.00 H new ATOM 0 HG LEU A 107 7.208 -0.361 5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.050 -0.306 6.975 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.318 -1.085 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.812 0.582 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.625 1.483 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.411 2.439 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.315 2.008 5.183 1.00 0.00 H new ATOM 1751 N VAL A 108 9.417 1.396 10.409 1.00 0.00 N ATOM 1752 CA VAL A 108 9.478 0.966 11.802 1.00 0.00 C ATOM 1753 C VAL A 108 8.579 1.823 12.696 1.00 0.00 C ATOM 1754 O VAL A 108 8.381 1.508 13.870 1.00 0.00 O ATOM 1755 CB VAL A 108 10.918 1.020 12.343 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.998 0.379 13.719 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.878 0.344 11.375 1.00 0.00 C ATOM 0 H VAL A 108 10.301 1.739 10.034 1.00 0.00 H new ATOM 0 HA VAL A 108 9.123 -0.064 11.824 1.00 0.00 H new ATOM 0 HB VAL A 108 11.211 2.066 12.439 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.024 0.427 14.084 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.343 0.912 14.408 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.685 -0.663 13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.891 0.392 11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.589 -0.699 11.244 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.843 0.854 10.412 1.00 0.00 H new ATOM 1767 N GLY A 109 8.035 2.904 12.139 1.00 0.00 N ATOM 1768 CA GLY A 109 7.169 3.777 12.902 1.00 0.00 C ATOM 1769 C GLY A 109 5.901 4.123 12.148 1.00 0.00 C ATOM 1770 O GLY A 109 5.538 5.293 12.027 1.00 0.00 O ATOM 0 H GLY A 109 8.182 3.188 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.910 3.296 13.845 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.705 4.693 13.149 1.00 0.00 H new ATOM 1774 N LEU A 110 5.230 3.097 11.639 1.00 0.00 N ATOM 1775 CA LEU A 110 3.994 3.282 10.889 1.00 0.00 C ATOM 1776 C LEU A 110 2.924 3.913 11.775 1.00 0.00 C ATOM 1777 O LEU A 110 2.933 3.730 12.993 1.00 0.00 O ATOM 1778 CB LEU A 110 3.511 1.934 10.348 1.00 0.00 C ATOM 1779 CG LEU A 110 2.666 1.994 9.072 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.299 2.923 8.046 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.494 0.601 8.490 1.00 0.00 C ATOM 0 H LEU A 110 5.523 2.124 11.733 1.00 0.00 H new ATOM 0 HA LEU A 110 4.185 3.953 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.382 1.307 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.928 1.440 11.125 1.00 0.00 H new ATOM 0 HG LEU A 110 1.684 2.391 9.329 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.681 2.949 7.149 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.376 3.927 8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.294 2.559 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.892 0.657 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.472 0.183 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.995 -0.038 9.218 1.00 0.00 H new ATOM 1793 N ASN A 111 2.019 4.681 11.170 1.00 0.00 N ATOM 1794 CA ASN A 111 0.974 5.355 11.934 1.00 0.00 C ATOM 1795 C ASN A 111 -0.429 4.987 11.473 1.00 0.00 C ATOM 1796 O ASN A 111 -0.836 5.305 10.356 1.00 0.00 O ATOM 1797 CB ASN A 111 1.163 6.871 11.854 1.00 0.00 C ATOM 1798 CG ASN A 111 1.012 7.543 13.205 1.00 0.00 C ATOM 1799 OD1 ASN A 111 0.013 7.352 13.899 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.006 8.337 13.585 1.00 0.00 N ATOM 0 H ASN A 111 1.989 4.850 10.165 1.00 0.00 H new ATOM 0 HA ASN A 111 1.071 5.018 12.966 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.151 7.091 11.450 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.435 7.289 11.159 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.960 8.817 14.484 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.816 8.467 12.978 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.177 4.343 12.367 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.552 3.962 12.079 1.00 0.00 C ATOM 1809 C ALA A 112 -3.454 5.199 12.082 1.00 0.00 C ATOM 1810 O ALA A 112 -4.566 5.175 11.556 1.00 0.00 O ATOM 1811 CB ALA A 112 -3.050 2.937 13.091 1.00 0.00 C ATOM 0 H ALA A 112 -0.851 4.076 13.296 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.585 3.507 11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.080 2.666 12.858 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.422 2.047 13.047 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.005 3.364 14.093 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.962 6.281 12.685 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.711 7.530 12.756 1.00 0.00 C ATOM 1819 C ASP A 113 -3.628 8.296 11.437 1.00 0.00 C ATOM 1820 O ASP A 113 -4.644 8.742 10.903 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.183 8.400 13.897 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.290 9.153 14.610 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.071 9.847 13.925 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.375 9.050 15.851 1.00 0.00 O ATOM 0 H ASP A 113 -2.046 6.315 13.132 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.756 7.285 12.946 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.654 7.772 14.614 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.459 9.112 13.502 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.410 8.450 10.922 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.190 9.170 9.671 1.00 0.00 C ATOM 1831 C ASP A 114 -2.794 8.424 8.484 1.00 0.00 C ATOM 1832 O ASP A 114 -3.020 9.007 7.423 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.697 9.395 9.440 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.319 10.864 9.481 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -1.191 11.710 9.198 1.00 0.00 O ATOM 1836 OD2 ASP A 114 0.853 11.167 9.794 1.00 0.00 O ATOM 0 H ASP A 114 -1.560 8.085 11.352 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.689 10.136 9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.130 8.856 10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.415 8.977 8.474 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.057 7.134 8.665 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.641 6.321 7.606 1.00 0.00 C ATOM 1843 C PHE A 115 -5.107 6.021 7.933 1.00 0.00 C ATOM 1844 O PHE A 115 -5.571 6.322 9.033 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.804 5.042 7.407 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.438 3.769 7.882 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.917 3.663 9.169 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.530 2.673 7.041 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.477 2.488 9.619 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.093 1.495 7.482 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.566 1.403 8.773 1.00 0.00 C ATOM 0 H PHE A 115 -2.875 6.631 9.533 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.625 6.865 6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.578 4.940 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.853 5.168 7.925 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.853 4.512 9.834 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.157 2.742 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.845 2.417 10.632 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.163 0.646 6.818 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.007 0.481 9.122 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.868 5.444 6.986 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.287 5.141 7.205 1.00 0.00 C ATOM 1863 C PRO A 116 -7.513 4.290 8.455 1.00 0.00 C ATOM 1864 O PRO A 116 -6.891 3.241 8.621 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.699 4.370 5.942 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.422 4.001 5.261 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.429 5.061 5.638 1.00 0.00 C ATOM 0 HA PRO A 116 -7.872 6.046 7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.278 3.482 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.325 4.984 5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.081 3.016 5.580 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.555 3.958 4.180 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.408 4.679 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.454 5.905 4.948 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.413 4.734 9.356 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.716 4.008 10.596 1.00 0.00 C ATOM 1877 C PRO A 117 -9.456 2.700 10.341 1.00 0.00 C ATOM 1878 O PRO A 117 -9.224 1.702 11.021 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.607 4.981 11.373 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.229 5.840 10.328 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.201 5.975 9.239 1.00 0.00 C ATOM 0 HA PRO A 117 -7.808 3.722 11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.363 4.450 11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.025 5.574 12.078 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.145 5.389 9.946 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.499 6.815 10.734 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.666 6.065 8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.580 6.860 9.380 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.345 2.712 9.353 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.115 1.522 9.008 1.00 0.00 C ATOM 1891 C ALA A 118 -10.238 0.459 8.356 1.00 0.00 C ATOM 1892 O ALA A 118 -10.666 -0.677 8.152 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.275 1.893 8.096 1.00 0.00 C ATOM 0 H ALA A 118 -10.550 3.530 8.779 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.513 1.099 9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.842 0.996 7.846 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.926 2.603 8.606 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.889 2.345 7.182 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.012 0.840 8.031 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.065 -0.063 7.400 1.00 0.00 C ATOM 1901 C ASN A 119 -6.993 -0.510 8.398 1.00 0.00 C ATOM 1902 O ASN A 119 -5.918 -0.965 8.005 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.427 0.662 6.218 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.146 0.383 4.909 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -8.896 -0.587 4.792 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.931 1.243 3.917 1.00 0.00 N ATOM 0 H ASN A 119 -8.648 1.778 8.196 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.583 -0.957 7.054 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.430 1.735 6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.384 0.357 6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.395 1.111 3.018 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.302 2.034 4.055 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.296 -0.359 9.691 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.367 -0.718 10.766 1.00 0.00 C ATOM 1915 C GLU A 120 -6.088 -2.223 10.866 1.00 0.00 C ATOM 1916 O GLU A 120 -4.995 -2.611 11.270 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.892 -0.200 12.109 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.994 0.847 12.747 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.884 0.682 14.250 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.757 1.211 14.971 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.927 0.024 14.709 1.00 0.00 O ATOM 0 H GLU A 120 -8.187 0.013 10.020 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.418 -0.243 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.885 0.225 11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.003 -1.040 12.795 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.000 0.786 12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.383 1.840 12.522 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.052 -3.102 10.531 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.846 -4.553 10.631 1.00 0.00 C ATOM 1930 C PRO A 121 -5.489 -5.007 10.088 1.00 0.00 C ATOM 1931 O PRO A 121 -4.882 -5.936 10.618 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.984 -5.114 9.785 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.083 -4.122 9.949 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.414 -2.775 10.059 1.00 0.00 C ATOM 0 HA PRO A 121 -6.846 -4.895 11.666 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.691 -5.215 8.740 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.286 -6.103 10.129 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.765 -4.151 9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.674 -4.338 10.839 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.393 -2.258 9.100 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.936 -2.124 10.760 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.012 -4.340 9.042 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.723 -4.672 8.447 1.00 0.00 C ATOM 1944 C VAL A 122 -2.580 -4.113 9.286 1.00 0.00 C ATOM 1945 O VAL A 122 -1.642 -4.829 9.638 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.605 -4.129 7.005 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.164 -4.178 6.518 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.504 -4.911 6.063 1.00 0.00 C ATOM 0 H VAL A 122 -5.499 -3.567 8.589 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.657 -5.760 8.418 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.928 -3.088 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.110 -3.790 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.538 -3.570 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.810 -5.209 6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.406 -4.513 5.053 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.212 -5.961 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.540 -4.821 6.390 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.663 -2.823 9.594 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.633 -2.159 10.380 1.00 0.00 C ATOM 1960 C ILE A 123 -1.607 -2.675 11.811 1.00 0.00 C ATOM 1961 O ILE A 123 -0.556 -2.727 12.433 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.827 -0.631 10.396 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.892 -0.095 8.967 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.694 0.038 11.159 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.574 -0.193 8.236 1.00 0.00 C ATOM 0 H ILE A 123 -3.433 -2.218 9.311 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.681 -2.388 9.901 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.766 -0.403 10.900 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.650 -0.648 8.412 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.211 0.947 8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.845 1.118 11.162 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.680 -0.329 12.185 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.256 -0.194 10.678 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.687 0.204 7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.182 0.383 8.770 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.264 -1.237 8.183 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.762 -3.062 12.329 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.841 -3.573 13.690 1.00 0.00 C ATOM 1979 C ALA A 124 -1.869 -4.731 13.887 1.00 0.00 C ATOM 1980 O ALA A 124 -1.412 -4.990 15.000 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.262 -4.008 14.012 1.00 0.00 C ATOM 0 H ALA A 124 -3.652 -3.033 11.832 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.561 -2.772 14.375 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.304 -4.387 15.033 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.934 -3.156 13.914 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.568 -4.793 13.320 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.562 -5.428 12.797 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.644 -6.564 12.853 1.00 0.00 C ATOM 1989 C LYS A 125 0.820 -6.112 12.869 1.00 0.00 C ATOM 1990 O LYS A 125 1.591 -6.518 13.738 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.885 -7.495 11.663 1.00 0.00 C ATOM 1992 CG LYS A 125 -1.933 -8.563 11.929 1.00 0.00 C ATOM 1993 CD LYS A 125 -3.334 -7.970 11.974 1.00 0.00 C ATOM 1994 CE LYS A 125 -4.150 -8.556 13.115 1.00 0.00 C ATOM 1995 NZ LYS A 125 -5.614 -8.406 12.885 1.00 0.00 N ATOM 0 H LYS A 125 -1.933 -5.229 11.868 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.840 -7.099 13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.194 -6.900 10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.054 -7.978 11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.884 -9.324 11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.716 -9.060 12.875 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.269 -6.888 12.090 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.841 -8.159 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.907 -9.612 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.877 -8.063 14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -6.135 -8.818 13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.851 -7.397 12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.880 -8.898 12.008 1.00 0.00 H new ATOM 2009 N LEU A 126 1.198 -5.284 11.897 1.00 0.00 N ATOM 2010 CA LEU A 126 2.572 -4.794 11.795 1.00 0.00 C ATOM 2011 C LEU A 126 2.846 -3.670 12.788 1.00 0.00 C ATOM 2012 O LEU A 126 3.965 -3.520 13.275 1.00 0.00 O ATOM 2013 CB LEU A 126 2.854 -4.309 10.370 1.00 0.00 C ATOM 2014 CG LEU A 126 4.300 -3.886 10.091 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.578 -2.508 10.673 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.277 -4.911 10.648 1.00 0.00 C ATOM 0 H LEU A 126 0.573 -4.938 11.169 1.00 0.00 H new ATOM 0 HA LEU A 126 3.236 -5.624 12.037 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.586 -5.104 9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.199 -3.464 10.156 1.00 0.00 H new ATOM 0 HG LEU A 126 4.438 -3.835 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.610 -2.226 10.464 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.904 -1.780 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.419 -2.530 11.751 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.298 -4.591 10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.137 -4.999 11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.096 -5.878 10.179 1.00 0.00 H new ATOM 2028 N LYS A 127 1.820 -2.881 13.084 1.00 0.00 N ATOM 2029 CA LYS A 127 1.947 -1.767 14.019 1.00 0.00 C ATOM 2030 C LYS A 127 2.515 -2.237 15.346 1.00 0.00 C ATOM 2031 O LYS A 127 3.390 -1.593 15.924 1.00 0.00 O ATOM 2032 CB LYS A 127 0.590 -1.122 14.247 1.00 0.00 C ATOM 2033 CG LYS A 127 0.644 0.131 15.103 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.592 0.998 14.906 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.415 1.093 16.180 1.00 0.00 C ATOM 2036 NZ LYS A 127 -2.877 1.119 15.895 1.00 0.00 N ATOM 0 H LYS A 127 0.886 -2.992 12.689 1.00 0.00 H new ATOM 0 HA LYS A 127 2.630 -1.036 13.586 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.150 -0.873 13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.071 -1.847 14.721 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.730 -0.148 16.153 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.536 0.705 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.290 1.997 14.591 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.205 0.583 14.106 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.186 0.245 16.825 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.135 1.994 16.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.402 0.830 16.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.161 2.082 15.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.091 0.463 15.117 1.00 0.00 H new ATOM 2050 N ARG A 128 2.026 -3.380 15.811 1.00 0.00 N ATOM 2051 CA ARG A 128 2.502 -3.954 17.056 1.00 0.00 C ATOM 2052 C ARG A 128 3.947 -4.412 16.895 1.00 0.00 C ATOM 2053 O ARG A 128 4.611 -4.771 17.868 1.00 0.00 O ATOM 2054 CB ARG A 128 1.618 -5.132 17.473 1.00 0.00 C ATOM 2055 CG ARG A 128 2.070 -5.806 18.757 1.00 0.00 C ATOM 2056 CD ARG A 128 1.009 -6.755 19.292 1.00 0.00 C ATOM 2057 NE ARG A 128 -0.215 -6.050 19.666 1.00 0.00 N ATOM 2058 CZ ARG A 128 -1.394 -6.647 19.825 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -1.513 -7.957 19.644 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -2.457 -5.932 20.166 1.00 0.00 N ATOM 0 H ARG A 128 1.301 -3.924 15.343 1.00 0.00 H new ATOM 0 HA ARG A 128 2.454 -3.193 17.835 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.594 -4.781 17.598 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.606 -5.869 16.670 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.993 -6.356 18.575 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.294 -5.048 19.508 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.779 -7.505 18.536 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.401 -7.286 20.159 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.163 -5.042 19.814 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.698 -8.512 19.382 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.419 -8.409 19.767 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.371 -4.925 20.306 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.361 -6.389 20.288 1.00 0.00 H new ATOM 2074 N LEU A 129 4.432 -4.391 15.650 1.00 0.00 N ATOM 2075 CA LEU A 129 5.800 -4.795 15.347 1.00 0.00 C ATOM 2076 C LEU A 129 6.156 -6.109 16.040 1.00 0.00 C ATOM 2077 O LEU A 129 6.596 -6.116 17.190 1.00 0.00 O ATOM 2078 CB LEU A 129 6.778 -3.698 15.770 1.00 0.00 C ATOM 2079 CG LEU A 129 6.324 -2.269 15.456 1.00 0.00 C ATOM 2080 CD1 LEU A 129 5.994 -1.517 16.737 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.392 -1.528 14.663 1.00 0.00 C ATOM 0 H LEU A 129 3.892 -4.097 14.836 1.00 0.00 H new ATOM 0 HA LEU A 129 5.875 -4.949 14.271 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.951 -3.781 16.843 1.00 0.00 H new ATOM 0 HB3 LEU A 129 7.734 -3.876 15.278 1.00 0.00 H new ATOM 0 HG LEU A 129 5.421 -2.325 14.848 1.00 0.00 H new ATOM 0 HD11 LEU A 129 5.674 -0.504 16.492 1.00 0.00 H new ATOM 0 HD12 LEU A 129 5.193 -2.033 17.266 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.879 -1.474 17.372 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.050 -0.515 14.450 1.00 0.00 H new ATOM 0 HD22 LEU A 129 8.313 -1.485 15.245 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.579 -2.052 13.726 1.00 0.00 H new