USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 753 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 86 ASN : amide:sc= 0.0724 K(o=0.69,f=-14!) USER MOD Set 1.2: A 89 SER OG : rot 55:sc= 0.618 USER MOD Set 2.1: A 82 GLN : amide:sc= -2.92! K(o=-4.9!,f=-2.2) USER MOD Set 2.2: A 84 GLN : amide:sc= -1.98! C(o=-4.9!,f=-2.2!) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0.39 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -159:sc= -0.57 (180deg=-1.55) USER MOD Set 4.1: A 4 GLN : amide:sc= -0.76! C(o=-0.14!,f=-4!) USER MOD Set 4.2: A 6 THR OG1 : rot 30:sc= 0.621 USER MOD Single : A 7 LYS NZ :NH3+ -165:sc= -0.0114 (180deg=-0.287) USER MOD Single : A 14 ASN : amide:sc= -3.39! C(o=-3.4!,f=-4.3!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.738 K(o=-0.74,f=-7.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= -0.435 (180deg=-1.13!) USER MOD Single : A 26 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.9!) USER MOD Single : A 37 GLN : amide:sc= -3.97! C(o=-4!,f=-9.5!) USER MOD Single : A 45 THR OG1 : rot -85:sc= 0.32 USER MOD Single : A 49 LYS NZ :NH3+ -101:sc= -4.14! (180deg=-5.07!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 55 ASN : amide:sc= -0.097 K(o=-0.097,f=-2.3!) USER MOD Single : A 63 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.052) USER MOD Single : A 66 SER OG : rot -160:sc= -0.421 USER MOD Single : A 67 TYR OH : rot 80:sc= 0.846 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.76! C(o=-1.8!,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.0053) USER MOD Single : A 90 SER OG : rot 180:sc= -0.261 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc=-0.00746 (180deg=-0.307) USER MOD Single : A 95 SER OG : rot -22:sc= 0.456 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -8.305 11.319 -12.603 1.00 0.00 N ATOM 36 CA PRO A 3 -8.437 10.336 -11.488 1.00 0.00 C ATOM 37 C PRO A 3 -8.555 11.026 -10.123 1.00 0.00 C ATOM 38 O PRO A 3 -8.105 12.138 -9.935 1.00 0.00 O ATOM 39 CB PRO A 3 -7.153 9.498 -11.585 1.00 0.00 C ATOM 40 CG PRO A 3 -6.153 10.401 -12.234 1.00 0.00 C ATOM 41 CD PRO A 3 -6.947 11.312 -13.178 1.00 0.00 C ATOM 0 HA PRO A 3 -9.342 9.735 -11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.815 9.177 -10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.313 8.596 -12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.616 10.987 -11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.408 9.826 -12.784 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -6.523 12.316 -13.215 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.947 10.928 -14.198 1.00 0.00 H new ATOM 49 N GLN A 4 -9.163 10.370 -9.172 1.00 0.00 N ATOM 50 CA GLN A 4 -9.317 10.984 -7.823 1.00 0.00 C ATOM 51 C GLN A 4 -7.998 10.864 -7.050 1.00 0.00 C ATOM 52 O GLN A 4 -7.526 9.778 -6.766 1.00 0.00 O ATOM 53 CB GLN A 4 -10.435 10.253 -7.068 1.00 0.00 C ATOM 54 CG GLN A 4 -10.985 11.150 -5.957 1.00 0.00 C ATOM 55 CD GLN A 4 -9.878 11.438 -4.944 1.00 0.00 C ATOM 56 OE1 GLN A 4 -9.264 10.529 -4.420 1.00 0.00 O ATOM 57 NE2 GLN A 4 -9.591 12.675 -4.645 1.00 0.00 N ATOM 0 H GLN A 4 -9.560 9.436 -9.271 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.573 12.039 -7.922 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.234 9.982 -7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.052 9.325 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.359 12.083 -6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -11.827 10.663 -5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.106 13.438 -5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.852 12.879 -3.972 1.00 0.00 H new ATOM 66 N LEU A 5 -7.397 11.977 -6.713 1.00 0.00 N ATOM 67 CA LEU A 5 -6.107 11.943 -5.966 1.00 0.00 C ATOM 68 C LEU A 5 -6.390 12.007 -4.466 1.00 0.00 C ATOM 69 O LEU A 5 -7.134 12.848 -3.999 1.00 0.00 O ATOM 70 CB LEU A 5 -5.267 13.156 -6.369 1.00 0.00 C ATOM 71 CG LEU A 5 -5.096 13.184 -7.892 1.00 0.00 C ATOM 72 CD1 LEU A 5 -4.331 14.447 -8.292 1.00 0.00 C ATOM 73 CD2 LEU A 5 -4.320 11.943 -8.357 1.00 0.00 C ATOM 0 H LEU A 5 -7.748 12.911 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.570 11.024 -6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.750 14.073 -6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.291 13.112 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.079 13.185 -8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.208 14.470 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.889 15.327 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.351 14.445 -7.815 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.203 11.972 -9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.337 11.931 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.868 11.044 -8.075 1.00 0.00 H new ATOM 85 N THR A 6 -5.798 11.117 -3.712 1.00 0.00 N ATOM 86 CA THR A 6 -6.011 11.093 -2.232 1.00 0.00 C ATOM 87 C THR A 6 -4.656 11.178 -1.527 1.00 0.00 C ATOM 88 O THR A 6 -3.665 10.657 -1.998 1.00 0.00 O ATOM 89 CB THR A 6 -6.723 9.798 -1.842 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.993 9.756 -2.478 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.903 9.755 -0.324 1.00 0.00 C ATOM 0 H THR A 6 -5.168 10.396 -4.063 1.00 0.00 H new ATOM 0 HA THR A 6 -6.626 11.942 -1.933 1.00 0.00 H new ATOM 0 HB THR A 6 -6.130 8.940 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 6 -7.950 10.244 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.411 8.832 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.927 9.793 0.159 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.500 10.609 -0.004 1.00 0.00 H new ATOM 99 N LYS A 7 -4.603 11.845 -0.407 1.00 0.00 N ATOM 100 CA LYS A 7 -3.313 11.989 0.330 1.00 0.00 C ATOM 101 C LYS A 7 -3.217 10.935 1.435 1.00 0.00 C ATOM 102 O LYS A 7 -4.208 10.470 1.960 1.00 0.00 O ATOM 103 CB LYS A 7 -3.259 13.379 0.963 1.00 0.00 C ATOM 104 CG LYS A 7 -3.239 14.442 -0.136 1.00 0.00 C ATOM 105 CD LYS A 7 -3.228 15.834 0.497 1.00 0.00 C ATOM 106 CE LYS A 7 -3.295 16.895 -0.602 1.00 0.00 C ATOM 107 NZ LYS A 7 -2.034 16.865 -1.397 1.00 0.00 N ATOM 0 H LYS A 7 -5.403 12.300 0.033 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.484 11.855 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.122 13.528 1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.371 13.471 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.360 14.311 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.112 14.331 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.075 15.943 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.324 15.968 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.151 16.709 -1.250 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.437 17.882 -0.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.963 17.731 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.219 16.807 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.039 16.036 -2.025 1.00 0.00 H new ATOM 121 N ILE A 8 -2.024 10.538 1.768 1.00 0.00 N ATOM 122 CA ILE A 8 -1.843 9.492 2.818 1.00 0.00 C ATOM 123 C ILE A 8 -2.488 9.972 4.119 1.00 0.00 C ATOM 124 O ILE A 8 -3.179 9.235 4.794 1.00 0.00 O ATOM 125 CB ILE A 8 -0.341 9.280 3.046 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.282 8.626 1.807 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.123 8.378 4.263 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.806 8.761 1.871 1.00 0.00 C ATOM 0 H ILE A 8 -1.160 10.892 1.358 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.308 8.558 2.502 1.00 0.00 H new ATOM 0 HB ILE A 8 0.133 10.246 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.001 7.574 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.098 9.100 0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.946 8.231 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.558 8.846 5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.601 7.413 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.250 8.296 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.077 9.816 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.178 8.267 2.768 1.00 0.00 H new ATOM 140 N VAL A 9 -2.271 11.205 4.467 1.00 0.00 N ATOM 141 CA VAL A 9 -2.874 11.754 5.716 1.00 0.00 C ATOM 142 C VAL A 9 -4.402 11.781 5.577 1.00 0.00 C ATOM 143 O VAL A 9 -5.121 11.942 6.543 1.00 0.00 O ATOM 144 CB VAL A 9 -2.351 13.173 5.945 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.861 14.093 4.833 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.840 13.687 7.300 1.00 0.00 C ATOM 0 H VAL A 9 -1.699 11.864 3.939 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.602 11.125 6.564 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.261 13.163 5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.488 15.104 4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.508 13.728 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.951 14.103 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.467 14.698 7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.930 13.696 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.472 13.034 8.091 1.00 0.00 H new ATOM 156 N ASP A 10 -4.903 11.629 4.376 1.00 0.00 N ATOM 157 CA ASP A 10 -6.384 11.643 4.159 1.00 0.00 C ATOM 158 C ASP A 10 -6.911 10.205 4.160 1.00 0.00 C ATOM 159 O ASP A 10 -8.079 9.963 3.920 1.00 0.00 O ATOM 160 CB ASP A 10 -6.696 12.303 2.813 1.00 0.00 C ATOM 161 CG ASP A 10 -6.364 13.793 2.890 1.00 0.00 C ATOM 162 OD1 ASP A 10 -6.167 14.278 3.991 1.00 0.00 O ATOM 163 OD2 ASP A 10 -6.310 14.423 1.846 1.00 0.00 O ATOM 0 H ASP A 10 -4.347 11.495 3.531 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.865 12.207 4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.116 11.830 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.748 12.166 2.563 1.00 0.00 H new ATOM 168 N ILE A 11 -6.062 9.246 4.432 1.00 0.00 N ATOM 169 CA ILE A 11 -6.514 7.824 4.454 1.00 0.00 C ATOM 170 C ILE A 11 -7.038 7.467 5.849 1.00 0.00 C ATOM 171 O ILE A 11 -6.324 7.544 6.830 1.00 0.00 O ATOM 172 CB ILE A 11 -5.334 6.908 4.098 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.938 7.135 2.632 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.726 5.440 4.313 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.664 6.351 2.307 1.00 0.00 C ATOM 0 H ILE A 11 -5.074 9.388 4.640 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.314 7.689 3.726 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.487 7.143 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.748 6.818 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.777 8.198 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.883 4.797 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.998 5.285 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.576 5.193 3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.390 6.518 1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.854 6.689 2.954 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.839 5.288 2.470 1.00 0.00 H new ATOM 187 N VAL A 12 -8.273 7.049 5.941 1.00 0.00 N ATOM 188 CA VAL A 12 -8.838 6.656 7.268 1.00 0.00 C ATOM 189 C VAL A 12 -9.845 5.520 7.077 1.00 0.00 C ATOM 190 O VAL A 12 -10.524 5.120 8.003 1.00 0.00 O ATOM 191 CB VAL A 12 -9.516 7.861 7.927 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.443 8.843 8.404 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.432 8.562 6.920 1.00 0.00 C ATOM 0 H VAL A 12 -8.916 6.962 5.154 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.032 6.314 7.917 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.111 7.520 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.920 9.703 8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.793 8.349 9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.851 9.177 7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.910 9.418 7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.843 8.903 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.196 7.865 6.576 1.00 0.00 H new ATOM 203 N GLU A 13 -9.944 4.990 5.878 1.00 0.00 N ATOM 204 CA GLU A 13 -10.900 3.868 5.616 1.00 0.00 C ATOM 205 C GLU A 13 -10.199 2.800 4.769 1.00 0.00 C ATOM 206 O GLU A 13 -9.516 3.102 3.810 1.00 0.00 O ATOM 207 CB GLU A 13 -12.123 4.401 4.864 1.00 0.00 C ATOM 208 CG GLU A 13 -13.178 3.296 4.749 1.00 0.00 C ATOM 209 CD GLU A 13 -13.772 3.016 6.131 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.481 3.771 7.044 1.00 0.00 O ATOM 211 OE2 GLU A 13 -14.513 2.055 6.251 1.00 0.00 O ATOM 0 H GLU A 13 -9.401 5.289 5.068 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.223 3.432 6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.539 5.261 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.831 4.744 3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.964 3.599 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.729 2.389 4.343 1.00 0.00 H new ATOM 218 N ASN A 14 -10.362 1.551 5.125 1.00 0.00 N ATOM 219 CA ASN A 14 -9.704 0.450 4.354 1.00 0.00 C ATOM 220 C ASN A 14 -10.659 -0.099 3.295 1.00 0.00 C ATOM 221 O ASN A 14 -11.863 0.029 3.400 1.00 0.00 O ATOM 222 CB ASN A 14 -9.307 -0.674 5.314 1.00 0.00 C ATOM 223 CG ASN A 14 -10.555 -1.263 5.976 1.00 0.00 C ATOM 224 OD1 ASN A 14 -11.664 -0.990 5.564 1.00 0.00 O ATOM 225 ND2 ASN A 14 -10.415 -2.068 6.996 1.00 0.00 N ATOM 0 H ASN A 14 -10.924 1.244 5.919 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.817 0.844 3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.771 -1.453 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.628 -0.290 6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.238 -2.468 7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.483 -2.297 7.341 1.00 0.00 H new ATOM 232 N GLY A 15 -10.129 -0.715 2.271 1.00 0.00 N ATOM 233 CA GLY A 15 -10.999 -1.277 1.201 1.00 0.00 C ATOM 234 C GLY A 15 -11.519 -0.144 0.320 1.00 0.00 C ATOM 235 O GLY A 15 -12.497 -0.290 -0.386 1.00 0.00 O ATOM 0 H GLY A 15 -9.128 -0.852 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.438 -1.992 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.834 -1.820 1.644 1.00 0.00 H new ATOM 239 N GLN A 16 -10.869 0.993 0.358 1.00 0.00 N ATOM 240 CA GLN A 16 -11.316 2.152 -0.474 1.00 0.00 C ATOM 241 C GLN A 16 -10.453 2.246 -1.735 1.00 0.00 C ATOM 242 O GLN A 16 -9.294 1.872 -1.741 1.00 0.00 O ATOM 243 CB GLN A 16 -11.186 3.441 0.338 1.00 0.00 C ATOM 244 CG GLN A 16 -11.626 4.627 -0.521 1.00 0.00 C ATOM 245 CD GLN A 16 -11.703 5.886 0.345 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.627 6.051 1.116 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.763 6.784 0.251 1.00 0.00 N ATOM 0 H GLN A 16 -10.044 1.168 0.932 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.357 2.010 -0.764 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.799 3.381 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.155 3.576 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.921 4.778 -1.339 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.598 4.423 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.987 6.645 -0.397 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.803 7.626 0.825 1.00 0.00 H new ATOM 256 N TRP A 17 -11.020 2.753 -2.801 1.00 0.00 N ATOM 257 CA TRP A 17 -10.265 2.892 -4.083 1.00 0.00 C ATOM 258 C TRP A 17 -9.817 4.345 -4.259 1.00 0.00 C ATOM 259 O TRP A 17 -10.595 5.268 -4.128 1.00 0.00 O ATOM 260 CB TRP A 17 -11.177 2.490 -5.246 1.00 0.00 C ATOM 261 CG TRP A 17 -11.427 1.017 -5.190 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.504 0.432 -4.617 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.606 -0.063 -5.719 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.393 -0.941 -4.758 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.241 -1.294 -5.432 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.384 -0.093 -6.412 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.682 -2.514 -5.819 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.818 -1.318 -6.804 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.466 -2.525 -6.509 1.00 0.00 C ATOM 0 H TRP A 17 -11.985 3.080 -2.837 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.387 2.247 -4.065 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.120 3.033 -5.188 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.713 2.756 -6.196 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.317 0.951 -4.130 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.078 -1.610 -4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.876 0.831 -6.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.185 -3.441 -5.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.878 -1.329 -7.336 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.026 -3.463 -6.814 1.00 0.00 H new ATOM 280 N ALA A 18 -8.568 4.548 -4.576 1.00 0.00 N ATOM 281 CA ALA A 18 -8.064 5.934 -4.785 1.00 0.00 C ATOM 282 C ALA A 18 -6.772 5.895 -5.606 1.00 0.00 C ATOM 283 O ALA A 18 -6.287 4.839 -5.968 1.00 0.00 O ATOM 284 CB ALA A 18 -7.801 6.597 -3.432 1.00 0.00 C ATOM 0 H ALA A 18 -7.873 3.812 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.813 6.512 -5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.432 7.611 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.727 6.632 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.056 6.021 -2.883 1.00 0.00 H new ATOM 290 N ASN A 19 -6.204 7.045 -5.884 1.00 0.00 N ATOM 291 CA ASN A 19 -4.925 7.108 -6.662 1.00 0.00 C ATOM 292 C ASN A 19 -3.865 7.793 -5.798 1.00 0.00 C ATOM 293 O ASN A 19 -4.141 8.780 -5.146 1.00 0.00 O ATOM 294 CB ASN A 19 -5.152 7.924 -7.930 1.00 0.00 C ATOM 295 CG ASN A 19 -6.336 7.336 -8.697 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.218 6.303 -9.322 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.485 7.949 -8.663 1.00 0.00 N ATOM 0 H ASN A 19 -6.576 7.952 -5.602 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.595 6.105 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.348 8.966 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.257 7.910 -8.552 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.285 7.560 -9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.584 8.818 -8.137 1.00 0.00 H new ATOM 304 N LEU A 20 -2.655 7.281 -5.782 1.00 0.00 N ATOM 305 CA LEU A 20 -1.573 7.900 -4.949 1.00 0.00 C ATOM 306 C LEU A 20 -0.335 8.166 -5.807 1.00 0.00 C ATOM 307 O LEU A 20 -0.041 7.447 -6.742 1.00 0.00 O ATOM 308 CB LEU A 20 -1.200 6.932 -3.824 1.00 0.00 C ATOM 309 CG LEU A 20 -2.432 6.658 -2.953 1.00 0.00 C ATOM 310 CD1 LEU A 20 -2.083 5.599 -1.906 1.00 0.00 C ATOM 311 CD2 LEU A 20 -2.887 7.952 -2.254 1.00 0.00 C ATOM 0 H LEU A 20 -2.370 6.458 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.932 8.843 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.823 5.999 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.399 7.355 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.245 6.297 -3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.956 5.401 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.777 4.680 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.267 5.961 -1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.762 7.745 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.081 8.328 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.140 8.701 -3.004 1.00 0.00 H new ATOM 323 N LYS A 21 0.395 9.199 -5.477 1.00 0.00 N ATOM 324 CA LYS A 21 1.632 9.547 -6.235 1.00 0.00 C ATOM 325 C LYS A 21 2.740 9.888 -5.239 1.00 0.00 C ATOM 326 O LYS A 21 2.540 10.624 -4.293 1.00 0.00 O ATOM 327 CB LYS A 21 1.354 10.749 -7.142 1.00 0.00 C ATOM 328 CG LYS A 21 2.489 10.894 -8.160 1.00 0.00 C ATOM 329 CD LYS A 21 2.146 11.993 -9.173 1.00 0.00 C ATOM 330 CE LYS A 21 2.213 13.369 -8.504 1.00 0.00 C ATOM 331 NZ LYS A 21 2.282 14.425 -9.553 1.00 0.00 N ATOM 0 H LYS A 21 0.182 9.826 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 21 1.943 8.704 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.403 10.616 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.269 11.657 -6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.420 11.138 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.648 9.948 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.841 11.954 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.148 11.826 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.337 13.523 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.086 13.428 -7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.328 15.361 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.131 14.280 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.436 14.372 -10.155 1.00 0.00 H new ATOM 345 N ALA A 22 3.908 9.355 -5.454 1.00 0.00 N ATOM 346 CA ALA A 22 5.029 9.651 -4.519 1.00 0.00 C ATOM 347 C ALA A 22 6.347 9.068 -5.036 1.00 0.00 C ATOM 348 O ALA A 22 6.423 8.504 -6.110 1.00 0.00 O ATOM 349 CB ALA A 22 4.719 9.058 -3.143 1.00 0.00 C ATOM 0 H ALA A 22 4.135 8.732 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 22 5.135 10.733 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.540 9.275 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.799 9.497 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.596 7.979 -3.231 1.00 0.00 H new ATOM 355 N LYS A 23 7.381 9.222 -4.248 1.00 0.00 N ATOM 356 CA LYS A 23 8.734 8.702 -4.642 1.00 0.00 C ATOM 357 C LYS A 23 9.055 7.449 -3.828 1.00 0.00 C ATOM 358 O LYS A 23 8.524 7.236 -2.762 1.00 0.00 O ATOM 359 CB LYS A 23 9.804 9.797 -4.398 1.00 0.00 C ATOM 360 CG LYS A 23 10.451 10.211 -5.727 1.00 0.00 C ATOM 361 CD LYS A 23 11.390 11.385 -5.485 1.00 0.00 C ATOM 362 CE LYS A 23 12.041 11.794 -6.804 1.00 0.00 C ATOM 363 NZ LYS A 23 12.933 12.961 -6.567 1.00 0.00 N ATOM 0 H LYS A 23 7.349 9.688 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 23 8.735 8.443 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.346 10.664 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.567 9.425 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.001 9.372 -6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.682 10.488 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.838 12.225 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.155 11.109 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.612 10.962 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.276 12.049 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.748 12.911 -7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.407 13.841 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.268 12.948 -5.583 1.00 0.00 H new ATOM 377 N VAL A 24 9.919 6.614 -4.336 1.00 0.00 N ATOM 378 CA VAL A 24 10.276 5.364 -3.602 1.00 0.00 C ATOM 379 C VAL A 24 11.506 5.600 -2.722 1.00 0.00 C ATOM 380 O VAL A 24 12.614 5.723 -3.208 1.00 0.00 O ATOM 381 CB VAL A 24 10.574 4.267 -4.623 1.00 0.00 C ATOM 382 CG1 VAL A 24 11.172 3.046 -3.919 1.00 0.00 C ATOM 383 CG2 VAL A 24 9.275 3.861 -5.317 1.00 0.00 C ATOM 0 H VAL A 24 10.395 6.742 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 24 9.446 5.065 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 24 11.287 4.643 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.381 2.269 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.097 3.331 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.463 2.667 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.482 3.078 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.568 3.489 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.848 4.726 -5.824 1.00 0.00 H new ATOM 393 N ILE A 25 11.320 5.664 -1.432 1.00 0.00 N ATOM 394 CA ILE A 25 12.477 5.893 -0.518 1.00 0.00 C ATOM 395 C ILE A 25 13.385 4.661 -0.508 1.00 0.00 C ATOM 396 O ILE A 25 14.572 4.762 -0.270 1.00 0.00 O ATOM 397 CB ILE A 25 11.957 6.136 0.901 1.00 0.00 C ATOM 398 CG1 ILE A 25 11.084 7.399 0.927 1.00 0.00 C ATOM 399 CG2 ILE A 25 13.128 6.292 1.874 1.00 0.00 C ATOM 400 CD1 ILE A 25 11.870 8.635 0.451 1.00 0.00 C ATOM 0 H ILE A 25 10.416 5.568 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 25 13.042 6.758 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 25 11.357 5.279 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.212 7.253 0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.715 7.568 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.745 6.464 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 25 13.731 5.384 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.743 7.139 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.223 9.512 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.728 8.794 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.216 8.475 -0.570 1.00 0.00 H new ATOM 412 N GLN A 26 12.847 3.500 -0.769 1.00 0.00 N ATOM 413 CA GLN A 26 13.694 2.277 -0.776 1.00 0.00 C ATOM 414 C GLN A 26 12.878 1.102 -1.324 1.00 0.00 C ATOM 415 O GLN A 26 11.659 1.137 -1.351 1.00 0.00 O ATOM 416 CB GLN A 26 14.164 1.969 0.649 1.00 0.00 C ATOM 417 CG GLN A 26 15.125 0.776 0.633 1.00 0.00 C ATOM 418 CD GLN A 26 15.763 0.618 2.014 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.696 1.514 2.831 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.388 -0.489 2.307 1.00 0.00 N ATOM 0 H GLN A 26 11.860 3.348 -0.977 1.00 0.00 H new ATOM 0 HA GLN A 26 14.566 2.437 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.660 2.841 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.307 1.748 1.285 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.589 -0.133 0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.897 0.927 -0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.443 -1.241 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.821 -0.603 3.223 1.00 0.00 H new ATOM 429 N LEU A 27 13.552 0.059 -1.744 1.00 0.00 N ATOM 430 CA LEU A 27 12.853 -1.149 -2.293 1.00 0.00 C ATOM 431 C LEU A 27 13.174 -2.371 -1.442 1.00 0.00 C ATOM 432 O LEU A 27 14.245 -2.491 -0.879 1.00 0.00 O ATOM 433 CB LEU A 27 13.335 -1.401 -3.722 1.00 0.00 C ATOM 434 CG LEU A 27 12.875 -0.257 -4.631 1.00 0.00 C ATOM 435 CD1 LEU A 27 13.647 -0.311 -5.950 1.00 0.00 C ATOM 436 CD2 LEU A 27 11.375 -0.373 -4.938 1.00 0.00 C ATOM 0 H LEU A 27 14.570 -0.009 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 27 11.777 -0.974 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.422 -1.479 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.941 -2.349 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 27 13.064 0.685 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.320 0.503 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.714 -0.210 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.458 -1.265 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.071 0.450 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.179 -1.320 -5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.809 -0.331 -4.008 1.00 0.00 H new ATOM 448 N TRP A 28 12.250 -3.289 -1.352 1.00 0.00 N ATOM 449 CA TRP A 28 12.486 -4.519 -0.549 1.00 0.00 C ATOM 450 C TRP A 28 11.820 -5.712 -1.243 1.00 0.00 C ATOM 451 O TRP A 28 10.626 -5.728 -1.471 1.00 0.00 O ATOM 452 CB TRP A 28 11.892 -4.332 0.844 1.00 0.00 C ATOM 453 CG TRP A 28 12.398 -5.409 1.747 1.00 0.00 C ATOM 454 CD1 TRP A 28 11.670 -6.460 2.189 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.729 -5.562 2.318 1.00 0.00 C ATOM 456 NE1 TRP A 28 12.471 -7.247 2.996 1.00 0.00 N ATOM 457 CE2 TRP A 28 13.747 -6.735 3.106 1.00 0.00 C ATOM 458 CE3 TRP A 28 14.910 -4.803 2.229 1.00 0.00 C ATOM 459 CZ2 TRP A 28 14.897 -7.143 3.784 1.00 0.00 C ATOM 460 CZ3 TRP A 28 16.069 -5.209 2.909 1.00 0.00 C ATOM 461 CH2 TRP A 28 16.062 -6.377 3.685 1.00 0.00 C ATOM 0 H TRP A 28 11.337 -3.238 -1.804 1.00 0.00 H new ATOM 0 HA TRP A 28 13.556 -4.705 -0.462 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.164 -3.353 1.239 1.00 0.00 H new ATOM 0 HB3 TRP A 28 10.804 -4.365 0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 28 10.634 -6.653 1.951 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.156 -8.102 3.454 1.00 0.00 H new ATOM 0 HE3 TRP A 28 14.925 -3.902 1.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 14.887 -8.043 4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 16.970 -4.619 2.834 1.00 0.00 H new ATOM 0 HH2 TRP A 28 16.957 -6.685 4.206 1.00 0.00 H new ATOM 472 N GLU A 29 12.591 -6.705 -1.583 1.00 0.00 N ATOM 473 CA GLU A 29 12.020 -7.904 -2.266 1.00 0.00 C ATOM 474 C GLU A 29 11.415 -8.849 -1.227 1.00 0.00 C ATOM 475 O GLU A 29 12.006 -9.107 -0.197 1.00 0.00 O ATOM 476 CB GLU A 29 13.131 -8.631 -3.024 1.00 0.00 C ATOM 477 CG GLU A 29 13.638 -7.744 -4.163 1.00 0.00 C ATOM 478 CD GLU A 29 12.539 -7.572 -5.214 1.00 0.00 C ATOM 479 OE1 GLU A 29 11.648 -8.403 -5.251 1.00 0.00 O ATOM 480 OE2 GLU A 29 12.609 -6.612 -5.963 1.00 0.00 O ATOM 0 H GLU A 29 13.597 -6.741 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 29 11.244 -7.588 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.949 -8.874 -2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.757 -9.574 -3.422 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.937 -6.771 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.522 -8.190 -4.618 1.00 0.00 H new ATOM 558 N ILE A 35 2.803 -12.430 -0.991 1.00 0.00 N ATOM 559 CA ILE A 35 3.251 -11.070 -1.388 1.00 0.00 C ATOM 560 C ILE A 35 4.401 -11.175 -2.386 1.00 0.00 C ATOM 561 O ILE A 35 5.190 -12.095 -2.348 1.00 0.00 O ATOM 562 CB ILE A 35 3.729 -10.306 -0.151 1.00 0.00 C ATOM 563 CG1 ILE A 35 2.548 -10.090 0.799 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.297 -8.950 -0.576 1.00 0.00 C ATOM 565 CD1 ILE A 35 3.062 -9.577 2.145 1.00 0.00 C ATOM 0 HA ILE A 35 2.417 -10.541 -1.848 1.00 0.00 H new ATOM 0 HB ILE A 35 4.504 -10.881 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.848 -9.374 0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.004 -11.024 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.637 -8.406 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.136 -9.104 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.522 -8.373 -1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.221 -9.423 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.745 -10.309 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.587 -8.633 1.998 1.00 0.00 H new ATOM 577 N SER A 36 4.479 -10.244 -3.296 1.00 0.00 N ATOM 578 CA SER A 36 5.564 -10.268 -4.319 1.00 0.00 C ATOM 579 C SER A 36 6.673 -9.291 -3.918 1.00 0.00 C ATOM 580 O SER A 36 7.844 -9.630 -3.882 1.00 0.00 O ATOM 581 CB SER A 36 4.991 -9.834 -5.668 1.00 0.00 C ATOM 582 OG SER A 36 5.949 -10.084 -6.688 1.00 0.00 O ATOM 0 H SER A 36 3.832 -9.460 -3.376 1.00 0.00 H new ATOM 0 HA SER A 36 5.971 -11.277 -4.389 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.070 -10.378 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.737 -8.774 -5.644 1.00 0.00 H new ATOM 0 HG SER A 36 5.584 -9.808 -7.555 1.00 0.00 H new ATOM 588 N GLN A 37 6.323 -8.070 -3.618 1.00 0.00 N ATOM 589 CA GLN A 37 7.367 -7.077 -3.235 1.00 0.00 C ATOM 590 C GLN A 37 6.774 -6.019 -2.305 1.00 0.00 C ATOM 591 O GLN A 37 5.592 -5.738 -2.332 1.00 0.00 O ATOM 592 CB GLN A 37 7.901 -6.397 -4.496 1.00 0.00 C ATOM 593 CG GLN A 37 8.704 -7.405 -5.322 1.00 0.00 C ATOM 594 CD GLN A 37 9.421 -6.680 -6.458 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.232 -7.002 -7.613 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.240 -5.705 -6.178 1.00 0.00 N ATOM 0 H GLN A 37 5.366 -7.718 -3.621 1.00 0.00 H new ATOM 0 HA GLN A 37 8.176 -7.592 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.074 -6.004 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.531 -5.549 -4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.429 -7.915 -4.688 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.041 -8.170 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.398 -5.435 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.722 -5.212 -6.930 1.00 0.00 H new ATOM 605 N VAL A 38 7.603 -5.416 -1.497 1.00 0.00 N ATOM 606 CA VAL A 38 7.123 -4.351 -0.568 1.00 0.00 C ATOM 607 C VAL A 38 8.164 -3.233 -0.528 1.00 0.00 C ATOM 608 O VAL A 38 9.327 -3.448 -0.809 1.00 0.00 O ATOM 609 CB VAL A 38 6.933 -4.941 0.834 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.021 -6.169 0.746 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.292 -5.343 1.425 1.00 0.00 C ATOM 0 H VAL A 38 8.601 -5.617 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 38 6.169 -3.953 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 38 6.477 -4.193 1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.883 -6.592 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.053 -5.875 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.477 -6.915 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.146 -5.761 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.761 -6.089 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.934 -4.465 1.490 1.00 0.00 H new ATOM 621 N GLY A 39 7.766 -2.042 -0.183 1.00 0.00 N ATOM 622 CA GLY A 39 8.755 -0.931 -0.134 1.00 0.00 C ATOM 623 C GLY A 39 8.149 0.271 0.585 1.00 0.00 C ATOM 624 O GLY A 39 7.076 0.191 1.155 1.00 0.00 O ATOM 0 H GLY A 39 6.809 -1.791 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.657 -1.258 0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.050 -0.650 -1.145 1.00 0.00 H new ATOM 628 N LEU A 40 8.840 1.384 0.569 1.00 0.00 N ATOM 629 CA LEU A 40 8.334 2.609 1.264 1.00 0.00 C ATOM 630 C LEU A 40 8.160 3.732 0.248 1.00 0.00 C ATOM 631 O LEU A 40 8.929 3.861 -0.685 1.00 0.00 O ATOM 632 CB LEU A 40 9.357 3.047 2.318 1.00 0.00 C ATOM 633 CG LEU A 40 9.617 1.897 3.325 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.837 1.069 2.891 1.00 0.00 C ATOM 635 CD2 LEU A 40 9.879 2.478 4.723 1.00 0.00 C ATOM 0 H LEU A 40 9.739 1.498 0.101 1.00 0.00 H new ATOM 0 HA LEU A 40 7.378 2.390 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.290 3.332 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.991 3.927 2.847 1.00 0.00 H new ATOM 0 HG LEU A 40 8.737 1.255 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.006 0.266 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.655 0.642 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.717 1.711 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.061 1.665 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.752 3.130 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.010 3.051 5.047 1.00 0.00 H new ATOM 647 N LEU A 41 7.153 4.554 0.425 1.00 0.00 N ATOM 648 CA LEU A 41 6.913 5.681 -0.523 1.00 0.00 C ATOM 649 C LEU A 41 7.120 6.998 0.219 1.00 0.00 C ATOM 650 O LEU A 41 6.515 7.251 1.242 1.00 0.00 O ATOM 651 CB LEU A 41 5.476 5.596 -1.040 1.00 0.00 C ATOM 652 CG LEU A 41 5.237 4.205 -1.638 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.785 4.102 -2.114 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.190 3.969 -2.823 1.00 0.00 C ATOM 0 H LEU A 41 6.484 4.489 1.192 1.00 0.00 H new ATOM 0 HA LEU A 41 7.603 5.625 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.773 5.781 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.302 6.364 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 41 5.427 3.448 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.611 3.114 -2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.113 4.256 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.596 4.862 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.012 2.978 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.012 4.723 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.222 4.038 -2.479 1.00 0.00 H new ATOM 666 N GLY A 42 7.982 7.834 -0.294 1.00 0.00 N ATOM 667 CA GLY A 42 8.266 9.141 0.362 1.00 0.00 C ATOM 668 C GLY A 42 7.385 10.234 -0.239 1.00 0.00 C ATOM 669 O GLY A 42 7.658 10.741 -1.311 1.00 0.00 O ATOM 0 H GLY A 42 8.508 7.664 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.084 9.065 1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.317 9.400 0.234 1.00 0.00 H new ATOM 673 N ASP A 43 6.334 10.606 0.446 1.00 0.00 N ATOM 674 CA ASP A 43 5.428 11.678 -0.067 1.00 0.00 C ATOM 675 C ASP A 43 5.649 12.957 0.742 1.00 0.00 C ATOM 676 O ASP A 43 6.239 12.942 1.805 1.00 0.00 O ATOM 677 CB ASP A 43 3.974 11.238 0.074 1.00 0.00 C ATOM 678 CG ASP A 43 3.072 12.206 -0.695 1.00 0.00 C ATOM 679 OD1 ASP A 43 3.546 12.791 -1.654 1.00 0.00 O ATOM 680 OD2 ASP A 43 1.923 12.349 -0.308 1.00 0.00 O ATOM 0 H ASP A 43 6.063 10.210 1.346 1.00 0.00 H new ATOM 0 HA ASP A 43 5.648 11.863 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.850 10.226 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.690 11.217 1.126 1.00 0.00 H new ATOM 685 N GLU A 44 5.175 14.061 0.240 1.00 0.00 N ATOM 686 CA GLU A 44 5.340 15.355 0.956 1.00 0.00 C ATOM 687 C GLU A 44 4.462 15.379 2.207 1.00 0.00 C ATOM 688 O GLU A 44 4.686 16.153 3.118 1.00 0.00 O ATOM 689 CB GLU A 44 4.918 16.490 0.025 1.00 0.00 C ATOM 690 CG GLU A 44 5.884 16.562 -1.157 1.00 0.00 C ATOM 691 CD GLU A 44 5.642 15.370 -2.084 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.830 15.499 -2.985 1.00 0.00 O ATOM 693 OE2 GLU A 44 6.278 14.348 -1.880 1.00 0.00 O ATOM 0 H GLU A 44 4.674 14.123 -0.646 1.00 0.00 H new ATOM 0 HA GLU A 44 6.382 15.475 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.901 16.324 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.916 17.437 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.741 17.495 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.914 16.556 -0.800 1.00 0.00 H new ATOM 700 N THR A 45 3.457 14.546 2.259 1.00 0.00 N ATOM 701 CA THR A 45 2.559 14.530 3.451 1.00 0.00 C ATOM 702 C THR A 45 3.090 13.521 4.468 1.00 0.00 C ATOM 703 O THR A 45 2.635 13.463 5.593 1.00 0.00 O ATOM 704 CB THR A 45 1.148 14.128 3.015 1.00 0.00 C ATOM 705 OG1 THR A 45 1.142 12.759 2.634 1.00 0.00 O ATOM 706 CG2 THR A 45 0.716 14.992 1.829 1.00 0.00 C ATOM 0 H THR A 45 3.219 13.876 1.528 1.00 0.00 H new ATOM 0 HA THR A 45 2.529 15.521 3.905 1.00 0.00 H new ATOM 0 HB THR A 45 0.455 14.276 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.411 12.680 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.289 14.706 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.720 16.042 2.123 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.408 14.844 1.000 1.00 0.00 H new ATOM 714 N GLY A 46 4.061 12.729 4.092 1.00 0.00 N ATOM 715 CA GLY A 46 4.622 11.734 5.054 1.00 0.00 C ATOM 716 C GLY A 46 5.156 10.519 4.294 1.00 0.00 C ATOM 717 O GLY A 46 5.669 10.632 3.199 1.00 0.00 O ATOM 0 H GLY A 46 4.488 12.728 3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.422 12.190 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.852 11.423 5.759 1.00 0.00 H new ATOM 721 N ILE A 47 5.041 9.352 4.878 1.00 0.00 N ATOM 722 CA ILE A 47 5.543 8.112 4.208 1.00 0.00 C ATOM 723 C ILE A 47 4.539 6.976 4.426 1.00 0.00 C ATOM 724 O ILE A 47 3.791 6.969 5.383 1.00 0.00 O ATOM 725 CB ILE A 47 6.903 7.716 4.804 1.00 0.00 C ATOM 726 CG1 ILE A 47 7.762 8.969 5.007 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.628 6.758 3.851 1.00 0.00 C ATOM 728 CD1 ILE A 47 9.114 8.565 5.595 1.00 0.00 C ATOM 0 H ILE A 47 4.619 9.204 5.795 1.00 0.00 H new ATOM 0 HA ILE A 47 5.659 8.298 3.140 1.00 0.00 H new ATOM 0 HB ILE A 47 6.741 7.223 5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.905 9.484 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.256 9.667 5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.592 6.480 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.024 5.863 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.785 7.249 2.891 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.728 9.454 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.960 8.069 6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.619 7.883 4.911 1.00 0.00 H new ATOM 740 N ILE A 48 4.529 6.006 3.549 1.00 0.00 N ATOM 741 CA ILE A 48 3.587 4.859 3.707 1.00 0.00 C ATOM 742 C ILE A 48 4.190 3.607 3.070 1.00 0.00 C ATOM 743 O ILE A 48 4.920 3.676 2.101 1.00 0.00 O ATOM 744 CB ILE A 48 2.257 5.191 3.038 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.300 4.013 3.203 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.482 5.474 1.553 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.107 4.445 2.794 1.00 0.00 C ATOM 0 H ILE A 48 5.134 5.959 2.729 1.00 0.00 H new ATOM 0 HA ILE A 48 3.417 4.675 4.768 1.00 0.00 H new ATOM 0 HB ILE A 48 1.825 6.076 3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.628 3.174 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.301 3.671 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.529 5.711 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.162 6.319 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.916 4.595 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.793 3.606 2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.432 5.271 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.101 4.767 1.753 1.00 0.00 H new ATOM 759 N LYS A 49 3.890 2.457 3.614 1.00 0.00 N ATOM 760 CA LYS A 49 4.441 1.184 3.055 1.00 0.00 C ATOM 761 C LYS A 49 3.392 0.525 2.160 1.00 0.00 C ATOM 762 O LYS A 49 2.222 0.494 2.493 1.00 0.00 O ATOM 763 CB LYS A 49 4.759 0.236 4.210 1.00 0.00 C ATOM 764 CG LYS A 49 5.845 0.852 5.087 1.00 0.00 C ATOM 765 CD LYS A 49 6.134 -0.076 6.266 1.00 0.00 C ATOM 766 CE LYS A 49 7.124 0.603 7.213 1.00 0.00 C ATOM 767 NZ LYS A 49 8.442 0.751 6.533 1.00 0.00 N ATOM 0 H LYS A 49 3.284 2.343 4.426 1.00 0.00 H new ATOM 0 HA LYS A 49 5.340 1.397 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.862 0.050 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.091 -0.727 3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.752 1.010 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.525 1.829 5.449 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.210 -0.310 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.545 -1.020 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.745 1.580 7.512 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.236 0.013 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.088 0.006 6.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.313 0.667 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.845 1.683 6.756 1.00 0.00 H new ATOM 781 N PHE A 50 3.789 0.000 1.023 1.00 0.00 N ATOM 782 CA PHE A 50 2.807 -0.655 0.104 1.00 0.00 C ATOM 783 C PHE A 50 3.317 -2.058 -0.235 1.00 0.00 C ATOM 784 O PHE A 50 4.490 -2.353 -0.088 1.00 0.00 O ATOM 785 CB PHE A 50 2.681 0.174 -1.184 1.00 0.00 C ATOM 786 CG PHE A 50 3.947 0.061 -2.013 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.143 0.627 -1.552 1.00 0.00 C ATOM 788 CD2 PHE A 50 3.921 -0.608 -3.246 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.309 0.524 -2.324 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.086 -0.709 -4.014 1.00 0.00 C ATOM 791 CZ PHE A 50 6.280 -0.144 -3.554 1.00 0.00 C ATOM 0 H PHE A 50 4.754 -0.002 0.693 1.00 0.00 H new ATOM 0 HA PHE A 50 1.830 -0.720 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.826 -0.173 -1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.494 1.219 -0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.167 1.142 -0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.000 -1.046 -3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.231 0.961 -1.969 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.063 -1.224 -4.963 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.179 -0.223 -4.147 1.00 0.00 H new ATOM 801 N THR A 51 2.441 -2.925 -0.672 1.00 0.00 N ATOM 802 CA THR A 51 2.850 -4.321 -1.012 1.00 0.00 C ATOM 803 C THR A 51 2.250 -4.720 -2.359 1.00 0.00 C ATOM 804 O THR A 51 1.106 -4.436 -2.652 1.00 0.00 O ATOM 805 CB THR A 51 2.340 -5.270 0.076 1.00 0.00 C ATOM 806 OG1 THR A 51 2.597 -6.612 -0.309 1.00 0.00 O ATOM 807 CG2 THR A 51 0.835 -5.073 0.266 1.00 0.00 C ATOM 0 H THR A 51 1.450 -2.724 -0.809 1.00 0.00 H new ATOM 0 HA THR A 51 3.937 -4.379 -1.073 1.00 0.00 H new ATOM 0 HB THR A 51 2.853 -5.055 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.272 -7.220 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.474 -5.750 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.638 -4.043 0.563 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.319 -5.286 -0.670 1.00 0.00 H new ATOM 815 N ILE A 52 3.028 -5.378 -3.179 1.00 0.00 N ATOM 816 CA ILE A 52 2.533 -5.808 -4.524 1.00 0.00 C ATOM 817 C ILE A 52 2.234 -7.304 -4.508 1.00 0.00 C ATOM 818 O ILE A 52 3.059 -8.110 -4.125 1.00 0.00 O ATOM 819 CB ILE A 52 3.604 -5.513 -5.572 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.890 -4.008 -5.593 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.101 -5.956 -6.947 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.135 -3.722 -6.441 1.00 0.00 C ATOM 0 H ILE A 52 3.993 -5.638 -2.974 1.00 0.00 H new ATOM 0 HA ILE A 52 1.621 -5.263 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 52 4.518 -6.054 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.032 -3.472 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.041 -3.644 -4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.863 -5.747 -7.698 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.892 -7.026 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.190 -5.412 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.331 -2.650 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.992 -4.244 -6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.968 -4.069 -7.461 1.00 0.00 H new ATOM 834 N TRP A 53 1.048 -7.681 -4.907 1.00 0.00 N ATOM 835 CA TRP A 53 0.676 -9.125 -4.901 1.00 0.00 C ATOM 836 C TRP A 53 1.081 -9.785 -6.222 1.00 0.00 C ATOM 837 O TRP A 53 1.028 -9.183 -7.275 1.00 0.00 O ATOM 838 CB TRP A 53 -0.836 -9.238 -4.725 1.00 0.00 C ATOM 839 CG TRP A 53 -1.211 -8.718 -3.377 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.334 -7.409 -3.057 1.00 0.00 C ATOM 841 CD2 TRP A 53 -1.519 -9.466 -2.167 1.00 0.00 C ATOM 842 NE1 TRP A 53 -1.690 -7.307 -1.724 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.818 -8.548 -1.134 1.00 0.00 C ATOM 844 CE3 TRP A 53 -1.565 -10.839 -1.870 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -2.152 -8.977 0.151 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -1.901 -11.275 -0.579 1.00 0.00 C ATOM 847 CH2 TRP A 53 -2.194 -10.345 0.430 1.00 0.00 C ATOM 0 H TRP A 53 0.319 -7.049 -5.238 1.00 0.00 H new ATOM 0 HA TRP A 53 1.194 -9.628 -4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -1.348 -8.671 -5.502 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -1.150 -10.277 -4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.180 -6.580 -3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.839 -6.423 -1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.341 -11.563 -2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.376 -8.257 0.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -1.934 -12.332 -0.361 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.452 -10.687 1.422 1.00 0.00 H new ATOM 858 N LYS A 54 1.474 -11.028 -6.164 1.00 0.00 N ATOM 859 CA LYS A 54 1.876 -11.756 -7.402 1.00 0.00 C ATOM 860 C LYS A 54 0.787 -11.590 -8.464 1.00 0.00 C ATOM 861 O LYS A 54 1.052 -11.610 -9.651 1.00 0.00 O ATOM 862 CB LYS A 54 2.035 -13.249 -7.066 1.00 0.00 C ATOM 863 CG LYS A 54 3.409 -13.519 -6.432 1.00 0.00 C ATOM 864 CD LYS A 54 4.471 -13.696 -7.528 1.00 0.00 C ATOM 865 CE LYS A 54 5.793 -14.122 -6.892 1.00 0.00 C ATOM 866 NZ LYS A 54 6.302 -13.027 -6.023 1.00 0.00 N ATOM 0 H LYS A 54 1.534 -11.575 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 54 2.816 -11.356 -7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.246 -13.559 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.923 -13.845 -7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.685 -12.692 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.362 -14.414 -5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.144 -14.445 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.603 -12.763 -8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.651 -15.030 -6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.523 -14.355 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.325 -13.146 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.121 -12.110 -6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.817 -13.059 -5.104 1.00 0.00 H new ATOM 880 N ASN A 55 -0.434 -11.444 -8.046 1.00 0.00 N ATOM 881 CA ASN A 55 -1.543 -11.299 -9.025 1.00 0.00 C ATOM 882 C ASN A 55 -1.308 -10.066 -9.898 1.00 0.00 C ATOM 883 O ASN A 55 -1.946 -9.893 -10.917 1.00 0.00 O ATOM 884 CB ASN A 55 -2.863 -11.135 -8.268 1.00 0.00 C ATOM 885 CG ASN A 55 -3.313 -12.490 -7.724 1.00 0.00 C ATOM 886 OD1 ASN A 55 -2.827 -13.521 -8.149 1.00 0.00 O ATOM 887 ND2 ASN A 55 -4.229 -12.535 -6.796 1.00 0.00 N ATOM 0 H ASN A 55 -0.714 -11.419 -7.066 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.584 -12.186 -9.658 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.739 -10.426 -7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.626 -10.726 -8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.537 -13.435 -6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.637 -11.671 -6.439 1.00 0.00 H new ATOM 894 N ALA A 56 -0.392 -9.210 -9.514 1.00 0.00 N ATOM 895 CA ALA A 56 -0.097 -7.982 -10.320 1.00 0.00 C ATOM 896 C ALA A 56 1.321 -8.080 -10.886 1.00 0.00 C ATOM 897 O ALA A 56 2.070 -7.136 -10.814 1.00 0.00 O ATOM 898 CB ALA A 56 -0.202 -6.749 -9.420 1.00 0.00 C ATOM 0 H ALA A 56 0.170 -9.310 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.812 -7.898 -11.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.012 -5.853 -10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.210 -6.683 -9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.517 -6.831 -8.605 1.00 0.00 H new ATOM 904 N GLU A 57 1.679 -9.230 -11.411 1.00 0.00 N ATOM 905 CA GLU A 57 3.061 -9.444 -11.974 1.00 0.00 C ATOM 906 C GLU A 57 3.582 -8.162 -12.635 1.00 0.00 C ATOM 907 O GLU A 57 3.501 -7.989 -13.835 1.00 0.00 O ATOM 908 CB GLU A 57 3.015 -10.568 -13.017 1.00 0.00 C ATOM 909 CG GLU A 57 1.759 -10.422 -13.880 1.00 0.00 C ATOM 910 CD GLU A 57 1.767 -11.490 -14.978 1.00 0.00 C ATOM 911 OE1 GLU A 57 2.774 -12.165 -15.112 1.00 0.00 O ATOM 912 OE2 GLU A 57 0.765 -11.614 -15.663 1.00 0.00 O ATOM 0 H GLU A 57 1.066 -10.043 -11.476 1.00 0.00 H new ATOM 0 HA GLU A 57 3.732 -9.715 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.905 -10.531 -13.645 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.015 -11.538 -12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.867 -10.526 -13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.724 -9.428 -14.325 1.00 0.00 H new ATOM 919 N LEU A 58 4.093 -7.252 -11.845 1.00 0.00 N ATOM 920 CA LEU A 58 4.601 -5.955 -12.393 1.00 0.00 C ATOM 921 C LEU A 58 6.133 -5.925 -12.301 1.00 0.00 C ATOM 922 O LEU A 58 6.721 -6.571 -11.455 1.00 0.00 O ATOM 923 CB LEU A 58 4.003 -4.800 -11.566 1.00 0.00 C ATOM 924 CG LEU A 58 2.585 -4.460 -12.077 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.785 -3.779 -10.963 1.00 0.00 C ATOM 926 CD2 LEU A 58 2.654 -3.519 -13.292 1.00 0.00 C ATOM 0 H LEU A 58 4.181 -7.352 -10.834 1.00 0.00 H new ATOM 0 HA LEU A 58 4.307 -5.849 -13.437 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.961 -5.080 -10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.644 -3.921 -11.637 1.00 0.00 H new ATOM 0 HG LEU A 58 2.097 -5.388 -12.375 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.785 -3.540 -11.326 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.709 -4.450 -10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.290 -2.861 -10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.644 -3.293 -13.635 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.156 -2.594 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.210 -4.002 -14.095 1.00 0.00 H new ATOM 938 N PRO A 59 6.773 -5.175 -13.165 1.00 0.00 N ATOM 939 CA PRO A 59 8.260 -5.055 -13.178 1.00 0.00 C ATOM 940 C PRO A 59 8.806 -4.394 -11.904 1.00 0.00 C ATOM 941 O PRO A 59 8.086 -3.764 -11.153 1.00 0.00 O ATOM 942 CB PRO A 59 8.557 -4.203 -14.426 1.00 0.00 C ATOM 943 CG PRO A 59 7.287 -3.466 -14.718 1.00 0.00 C ATOM 944 CD PRO A 59 6.151 -4.364 -14.230 1.00 0.00 C ATOM 0 HA PRO A 59 8.744 -6.031 -13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.379 -3.511 -14.242 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.850 -4.830 -15.268 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.269 -2.503 -14.207 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.192 -3.262 -15.785 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.314 -3.778 -13.849 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.763 -4.990 -15.034 1.00 0.00 H new ATOM 952 N LEU A 60 10.077 -4.560 -11.652 1.00 0.00 N ATOM 953 CA LEU A 60 10.691 -3.977 -10.427 1.00 0.00 C ATOM 954 C LEU A 60 10.685 -2.448 -10.509 1.00 0.00 C ATOM 955 O LEU A 60 11.002 -1.863 -11.526 1.00 0.00 O ATOM 956 CB LEU A 60 12.133 -4.468 -10.315 1.00 0.00 C ATOM 957 CG LEU A 60 12.166 -5.995 -10.441 1.00 0.00 C ATOM 958 CD1 LEU A 60 13.609 -6.486 -10.295 1.00 0.00 C ATOM 959 CD2 LEU A 60 11.282 -6.630 -9.359 1.00 0.00 C ATOM 0 H LEU A 60 10.721 -5.080 -12.249 1.00 0.00 H new ATOM 0 HA LEU A 60 10.117 -4.288 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.744 -4.015 -11.096 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.559 -4.162 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 60 11.784 -6.285 -11.420 1.00 0.00 H new ATOM 0 HD11 LEU A 60 13.635 -7.572 -10.384 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.225 -6.043 -11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.996 -6.193 -9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.311 -7.715 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.650 -6.344 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.256 -6.283 -9.478 1.00 0.00 H new ATOM 971 N LEU A 61 10.318 -1.807 -9.434 1.00 0.00 N ATOM 972 CA LEU A 61 10.274 -0.316 -9.408 1.00 0.00 C ATOM 973 C LEU A 61 11.688 0.243 -9.208 1.00 0.00 C ATOM 974 O LEU A 61 12.549 -0.405 -8.644 1.00 0.00 O ATOM 975 CB LEU A 61 9.373 0.136 -8.256 1.00 0.00 C ATOM 976 CG LEU A 61 7.905 -0.022 -8.660 1.00 0.00 C ATOM 977 CD1 LEU A 61 7.620 -1.488 -9.012 1.00 0.00 C ATOM 978 CD2 LEU A 61 7.012 0.409 -7.492 1.00 0.00 C ATOM 0 H LEU A 61 10.043 -2.258 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 61 9.878 0.055 -10.353 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.581 -0.456 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.582 1.176 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 61 7.697 0.601 -9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.574 -1.597 -9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.258 -1.794 -9.842 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.826 -2.117 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.965 0.298 -7.774 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.222 -0.216 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.213 1.452 -7.246 1.00 0.00 H new ATOM 990 N GLU A 62 11.931 1.444 -9.671 1.00 0.00 N ATOM 991 CA GLU A 62 13.287 2.057 -9.519 1.00 0.00 C ATOM 992 C GLU A 62 13.310 2.975 -8.291 1.00 0.00 C ATOM 993 O GLU A 62 12.565 3.928 -8.191 1.00 0.00 O ATOM 994 CB GLU A 62 13.606 2.860 -10.780 1.00 0.00 C ATOM 995 CG GLU A 62 13.789 1.895 -11.953 1.00 0.00 C ATOM 996 CD GLU A 62 13.999 2.687 -13.244 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.014 3.904 -13.172 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.138 2.061 -14.281 1.00 0.00 O ATOM 0 H GLU A 62 11.246 2.029 -10.150 1.00 0.00 H new ATOM 0 HA GLU A 62 14.034 1.275 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.800 3.562 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.511 3.449 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.644 1.244 -11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.914 1.252 -12.048 1.00 0.00 H new ATOM 1005 N GLN A 63 14.166 2.678 -7.353 1.00 0.00 N ATOM 1006 CA GLN A 63 14.252 3.504 -6.114 1.00 0.00 C ATOM 1007 C GLN A 63 14.782 4.897 -6.445 1.00 0.00 C ATOM 1008 O GLN A 63 15.575 5.082 -7.347 1.00 0.00 O ATOM 1009 CB GLN A 63 15.197 2.830 -5.119 1.00 0.00 C ATOM 1010 CG GLN A 63 16.601 2.801 -5.714 1.00 0.00 C ATOM 1011 CD GLN A 63 17.435 1.703 -5.046 1.00 0.00 C ATOM 1012 OE1 GLN A 63 18.536 1.415 -5.475 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.955 1.070 -4.009 1.00 0.00 N ATOM 0 H GLN A 63 14.815 1.892 -7.391 1.00 0.00 H new ATOM 0 HA GLN A 63 13.257 3.594 -5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.199 3.373 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.858 1.817 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.545 2.623 -6.788 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.083 3.769 -5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.032 1.310 -3.647 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.503 0.336 -3.561 1.00 0.00 H new ATOM 1022 N GLY A 64 14.341 5.874 -5.713 1.00 0.00 N ATOM 1023 CA GLY A 64 14.794 7.275 -5.949 1.00 0.00 C ATOM 1024 C GLY A 64 13.997 7.889 -7.099 1.00 0.00 C ATOM 1025 O GLY A 64 14.067 9.076 -7.352 1.00 0.00 O ATOM 0 H GLY A 64 13.675 5.764 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.660 7.868 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.858 7.288 -6.184 1.00 0.00 H new ATOM 1029 N GLU A 65 13.250 7.086 -7.813 1.00 0.00 N ATOM 1030 CA GLU A 65 12.458 7.613 -8.966 1.00 0.00 C ATOM 1031 C GLU A 65 11.010 7.876 -8.546 1.00 0.00 C ATOM 1032 O GLU A 65 10.525 7.367 -7.548 1.00 0.00 O ATOM 1033 CB GLU A 65 12.482 6.584 -10.099 1.00 0.00 C ATOM 1034 CG GLU A 65 13.921 6.403 -10.590 1.00 0.00 C ATOM 1035 CD GLU A 65 14.410 7.699 -11.241 1.00 0.00 C ATOM 1036 OE1 GLU A 65 13.571 8.492 -11.636 1.00 0.00 O ATOM 1037 OE2 GLU A 65 15.613 7.874 -11.335 1.00 0.00 O ATOM 0 H GLU A 65 13.154 6.084 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 65 12.899 8.551 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.083 5.632 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.845 6.915 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.570 6.137 -9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.971 5.583 -11.307 1.00 0.00 H new ATOM 1044 N SER A 66 10.323 8.678 -9.317 1.00 0.00 N ATOM 1045 CA SER A 66 8.901 9.004 -9.009 1.00 0.00 C ATOM 1046 C SER A 66 7.984 7.966 -9.657 1.00 0.00 C ATOM 1047 O SER A 66 8.267 7.450 -10.720 1.00 0.00 O ATOM 1048 CB SER A 66 8.569 10.390 -9.559 1.00 0.00 C ATOM 1049 OG SER A 66 8.991 10.468 -10.915 1.00 0.00 O ATOM 0 H SER A 66 10.692 9.125 -10.156 1.00 0.00 H new ATOM 0 HA SER A 66 8.752 8.993 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.497 10.576 -9.488 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.066 11.158 -8.966 1.00 0.00 H new ATOM 0 HG SER A 66 9.080 11.408 -11.176 1.00 0.00 H new ATOM 1055 N TYR A 67 6.880 7.666 -9.026 1.00 0.00 N ATOM 1056 CA TYR A 67 5.930 6.666 -9.597 1.00 0.00 C ATOM 1057 C TYR A 67 4.493 7.112 -9.333 1.00 0.00 C ATOM 1058 O TYR A 67 4.176 7.692 -8.312 1.00 0.00 O ATOM 1059 CB TYR A 67 6.164 5.293 -8.945 1.00 0.00 C ATOM 1060 CG TYR A 67 7.300 4.580 -9.644 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.139 4.150 -10.966 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.505 4.347 -8.974 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.184 3.488 -11.618 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.549 3.684 -9.626 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.390 3.255 -10.948 1.00 0.00 C ATOM 1066 OH TYR A 67 10.421 2.602 -11.590 1.00 0.00 O ATOM 0 H TYR A 67 6.594 8.072 -8.135 1.00 0.00 H new ATOM 0 HA TYR A 67 6.097 6.590 -10.671 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.397 5.417 -7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.256 4.693 -9.003 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.208 4.329 -11.483 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.629 4.679 -7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.060 3.157 -12.638 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.479 3.503 -9.108 1.00 0.00 H new ATOM 0 HH TYR A 67 10.894 3.232 -12.173 1.00 0.00 H new ATOM 1076 N LEU A 68 3.627 6.812 -10.260 1.00 0.00 N ATOM 1077 CA LEU A 68 2.184 7.166 -10.120 1.00 0.00 C ATOM 1078 C LEU A 68 1.384 5.879 -9.939 1.00 0.00 C ATOM 1079 O LEU A 68 1.533 4.938 -10.691 1.00 0.00 O ATOM 1080 CB LEU A 68 1.722 7.919 -11.372 1.00 0.00 C ATOM 1081 CG LEU A 68 0.204 8.138 -11.330 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.201 8.830 -10.023 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.212 9.011 -12.519 1.00 0.00 C ATOM 0 H LEU A 68 3.862 6.327 -11.126 1.00 0.00 H new ATOM 0 HA LEU A 68 2.030 7.810 -9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.233 8.879 -11.437 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.990 7.354 -12.265 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.296 7.171 -11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.281 8.978 -10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.091 8.208 -9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.299 9.796 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.290 9.170 -12.494 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.298 9.973 -12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.060 8.512 -13.449 1.00 0.00 H new ATOM 1095 N LEU A 69 0.541 5.827 -8.938 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.271 4.597 -8.683 1.00 0.00 C ATOM 1097 C LEU A 69 -1.745 4.892 -8.951 1.00 0.00 C ATOM 1098 O LEU A 69 -2.336 5.756 -8.332 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.097 4.196 -7.221 1.00 0.00 C ATOM 1100 CG LEU A 69 1.397 4.103 -6.890 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.568 3.769 -5.408 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.052 3.009 -7.743 1.00 0.00 C ATOM 0 H LEU A 69 0.379 6.590 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 69 0.059 3.791 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.579 4.928 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.582 3.237 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 69 1.875 5.058 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.630 3.702 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.109 4.551 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.087 2.815 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.114 2.948 -7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.577 2.051 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.932 3.250 -8.799 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.336 4.181 -9.881 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.779 4.408 -10.221 1.00 0.00 C ATOM 1116 C ARG A 70 -4.597 3.141 -9.966 1.00 0.00 C ATOM 1117 O ARG A 70 -4.119 2.034 -10.114 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.904 4.792 -11.698 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.365 6.206 -11.900 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.431 6.573 -13.383 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.942 7.968 -13.575 1.00 0.00 N ATOM 1122 CZ ARG A 70 -2.774 8.446 -14.781 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.032 7.703 -15.824 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.352 9.670 -14.942 1.00 0.00 N ATOM 0 H ARG A 70 -1.879 3.448 -10.423 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.160 5.212 -9.591 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.349 4.087 -12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.946 4.740 -12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.948 6.916 -11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.336 6.268 -11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -2.824 5.881 -13.967 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.455 6.483 -13.745 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.738 8.551 -12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.366 6.747 -15.699 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.900 8.079 -16.763 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.154 10.252 -14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.220 10.045 -15.882 1.00 0.00 H new ATOM 1138 N SER A 71 -5.835 3.317 -9.591 1.00 0.00 N ATOM 1139 CA SER A 71 -6.733 2.156 -9.327 1.00 0.00 C ATOM 1140 C SER A 71 -6.119 1.234 -8.267 1.00 0.00 C ATOM 1141 O SER A 71 -5.944 0.053 -8.492 1.00 0.00 O ATOM 1142 CB SER A 71 -6.963 1.380 -10.630 1.00 0.00 C ATOM 1143 OG SER A 71 -7.978 2.028 -11.384 1.00 0.00 O ATOM 0 H SER A 71 -6.269 4.230 -9.454 1.00 0.00 H new ATOM 0 HA SER A 71 -7.688 2.524 -8.952 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.039 1.331 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.256 0.353 -10.410 1.00 0.00 H new ATOM 0 HG SER A 71 -8.129 1.538 -12.219 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.799 1.762 -7.109 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.206 0.919 -6.023 1.00 0.00 C ATOM 1151 C VAL A 72 -6.179 0.871 -4.847 1.00 0.00 C ATOM 1152 O VAL A 72 -7.122 1.636 -4.775 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.867 1.513 -5.567 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.777 1.139 -6.574 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -3.980 3.037 -5.482 1.00 0.00 C ATOM 0 H VAL A 72 -5.924 2.745 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.030 -0.089 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.611 1.115 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.824 1.560 -6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.693 0.054 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.036 1.536 -7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.027 3.455 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.237 3.438 -6.462 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.756 3.305 -4.765 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.959 -0.042 -3.934 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.866 -0.181 -2.754 1.00 0.00 C ATOM 1167 C VAL A 73 -6.045 -0.083 -1.466 1.00 0.00 C ATOM 1168 O VAL A 73 -4.881 -0.429 -1.424 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.578 -1.535 -2.823 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.566 -2.670 -2.663 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.620 -1.615 -1.706 1.00 0.00 C ATOM 0 H VAL A 73 -5.182 -0.703 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.609 0.616 -2.762 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.068 -1.634 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.083 -3.628 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.827 -2.614 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.066 -2.578 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.129 -2.578 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.126 -1.511 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.348 -0.813 -1.829 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.656 0.403 -0.420 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.941 0.556 0.888 1.00 0.00 C ATOM 1183 C VAL A 74 -6.303 -0.609 1.812 1.00 0.00 C ATOM 1184 O VAL A 74 -7.448 -1.005 1.907 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.357 1.883 1.532 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.562 3.031 0.903 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -7.851 2.110 1.290 1.00 0.00 C ATOM 0 H VAL A 74 -7.630 0.705 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.864 0.553 0.723 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.156 1.848 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.859 3.974 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.497 2.868 1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.764 3.069 -0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.154 3.053 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.045 2.146 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.420 1.293 1.734 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.326 -1.159 2.495 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.581 -2.304 3.426 1.00 0.00 C ATOM 1199 C GLY A 75 -5.292 -1.873 4.864 1.00 0.00 C ATOM 1200 O GLY A 75 -4.499 -0.985 5.111 1.00 0.00 O ATOM 0 H GLY A 75 -4.352 -0.859 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.616 -2.635 3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.951 -3.152 3.157 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.929 -2.498 5.819 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.697 -2.134 7.246 1.00 0.00 C ATOM 1206 C GLU A 76 -4.575 -3.004 7.817 1.00 0.00 C ATOM 1207 O GLU A 76 -4.768 -4.166 8.115 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.981 -2.386 8.036 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.789 -1.935 9.484 1.00 0.00 C ATOM 1210 CD GLU A 76 -8.101 -2.113 10.252 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -8.982 -2.779 9.734 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -8.202 -1.575 11.342 1.00 0.00 O ATOM 0 H GLU A 76 -6.603 -3.249 5.670 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.415 -1.084 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.811 -1.844 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.237 -3.445 8.005 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.997 -2.517 9.956 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.477 -0.891 9.513 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.400 -2.447 7.964 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.250 -3.232 8.508 1.00 0.00 C ATOM 1221 C TYR A 77 -2.052 -2.892 9.990 1.00 0.00 C ATOM 1222 O TYR A 77 -1.578 -1.831 10.345 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.989 -2.886 7.708 1.00 0.00 C ATOM 1224 CG TYR A 77 0.216 -3.539 8.341 1.00 0.00 C ATOM 1225 CD1 TYR A 77 0.372 -4.929 8.274 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.178 -2.756 8.991 1.00 0.00 C ATOM 1227 CE1 TYR A 77 1.490 -5.535 8.860 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.296 -3.362 9.575 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.452 -4.752 9.510 1.00 0.00 C ATOM 1230 OH TYR A 77 3.552 -5.350 10.087 1.00 0.00 O ATOM 0 H TYR A 77 -3.186 -1.478 7.730 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.450 -4.300 8.419 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.097 -3.224 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.853 -1.805 7.676 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.369 -5.533 7.771 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.057 -1.684 9.042 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.611 -6.607 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.038 -2.758 10.076 1.00 0.00 H new ATOM 0 HH TYR A 77 4.121 -4.664 10.495 1.00 0.00 H new ATOM 1240 N ASN A 78 -2.418 -3.799 10.854 1.00 0.00 N ATOM 1241 CA ASN A 78 -2.270 -3.567 12.322 1.00 0.00 C ATOM 1242 C ASN A 78 -2.754 -2.162 12.695 1.00 0.00 C ATOM 1243 O ASN A 78 -3.923 -1.850 12.584 1.00 0.00 O ATOM 1244 CB ASN A 78 -0.803 -3.722 12.722 1.00 0.00 C ATOM 1245 CG ASN A 78 -0.669 -3.541 14.236 1.00 0.00 C ATOM 1246 OD1 ASN A 78 -1.543 -3.931 14.986 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.395 -2.961 14.721 1.00 0.00 N ATOM 0 H ASN A 78 -2.819 -4.703 10.603 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.876 -4.301 12.853 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.436 -4.705 12.428 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -0.192 -2.985 12.201 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.493 -2.835 15.728 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.129 -2.634 14.093 1.00 0.00 H new ATOM 1254 N ASP A 79 -1.869 -1.319 13.163 1.00 0.00 N ATOM 1255 CA ASP A 79 -2.277 0.061 13.568 1.00 0.00 C ATOM 1256 C ASP A 79 -1.990 1.047 12.432 1.00 0.00 C ATOM 1257 O ASP A 79 -2.455 2.169 12.445 1.00 0.00 O ATOM 1258 CB ASP A 79 -1.475 0.474 14.806 1.00 0.00 C ATOM 1259 CG ASP A 79 -2.018 1.795 15.360 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -2.892 2.368 14.732 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -1.546 2.213 16.405 1.00 0.00 O ATOM 0 H ASP A 79 -0.878 -1.528 13.283 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.344 0.071 13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.538 -0.303 15.567 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.422 0.583 14.548 1.00 0.00 H new ATOM 1266 N ARG A 80 -1.211 0.645 11.458 1.00 0.00 N ATOM 1267 CA ARG A 80 -0.871 1.568 10.327 1.00 0.00 C ATOM 1268 C ARG A 80 -1.575 1.118 9.048 1.00 0.00 C ATOM 1269 O ARG A 80 -1.853 -0.047 8.848 1.00 0.00 O ATOM 1270 CB ARG A 80 0.643 1.562 10.105 1.00 0.00 C ATOM 1271 CG ARG A 80 0.996 2.587 9.028 1.00 0.00 C ATOM 1272 CD ARG A 80 2.515 2.661 8.872 1.00 0.00 C ATOM 1273 NE ARG A 80 2.861 3.805 7.981 1.00 0.00 N ATOM 1274 CZ ARG A 80 4.110 4.067 7.707 1.00 0.00 C ATOM 1275 NH1 ARG A 80 5.061 3.339 8.227 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.408 5.065 6.922 1.00 0.00 N ATOM 0 H ARG A 80 -0.794 -0.284 11.396 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.203 2.575 10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.160 1.800 11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.974 0.569 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.536 2.308 8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.600 3.566 9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.987 2.788 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.895 1.730 8.452 1.00 0.00 H new ATOM 0 HE ARG A 80 2.121 4.384 7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.828 2.564 8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.037 3.545 8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.666 5.639 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.384 5.271 6.707 1.00 0.00 H new ATOM 1290 N PHE A 81 -1.863 2.044 8.175 1.00 0.00 N ATOM 1291 CA PHE A 81 -2.545 1.696 6.896 1.00 0.00 C ATOM 1292 C PHE A 81 -1.489 1.435 5.823 1.00 0.00 C ATOM 1293 O PHE A 81 -0.355 1.852 5.946 1.00 0.00 O ATOM 1294 CB PHE A 81 -3.440 2.860 6.472 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.569 3.004 7.463 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.746 2.267 7.291 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.440 3.871 8.558 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.794 2.395 8.209 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.489 3.998 9.475 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.666 3.261 9.301 1.00 0.00 C ATOM 0 H PHE A 81 -1.653 3.035 8.294 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.155 0.803 7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.861 3.782 6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -3.838 2.683 5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.846 1.599 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.532 4.440 8.693 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.702 1.826 8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.390 4.666 10.318 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.475 3.361 10.009 1.00 0.00 H new ATOM 1310 N GLN A 82 -1.844 0.748 4.769 1.00 0.00 N ATOM 1311 CA GLN A 82 -0.854 0.461 3.690 1.00 0.00 C ATOM 1312 C GLN A 82 -1.571 0.432 2.342 1.00 0.00 C ATOM 1313 O GLN A 82 -2.779 0.311 2.277 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.182 -0.892 3.947 1.00 0.00 C ATOM 1315 CG GLN A 82 -1.231 -2.009 3.972 1.00 0.00 C ATOM 1316 CD GLN A 82 -0.534 -3.354 4.168 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.448 -3.448 4.877 1.00 0.00 O ATOM 1318 NE2 GLN A 82 -1.002 -4.405 3.558 1.00 0.00 N ATOM 0 H GLN A 82 -2.779 0.373 4.609 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.092 1.240 3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.555 -1.093 3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.354 -0.865 4.896 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.944 -1.835 4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.797 -2.012 3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.827 -4.324 2.963 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.544 -5.309 3.675 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.836 0.538 1.264 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.468 0.512 -0.092 1.00 0.00 C ATOM 1329 C VAL A 83 -1.176 -0.840 -0.751 1.00 0.00 C ATOM 1330 O VAL A 83 -0.041 -1.258 -0.852 1.00 0.00 O ATOM 1331 CB VAL A 83 -0.874 1.634 -0.957 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.823 1.945 -2.120 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.683 2.890 -0.102 1.00 0.00 C ATOM 0 H VAL A 83 0.179 0.642 1.264 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.544 0.657 0.002 1.00 0.00 H new ATOM 0 HB VAL A 83 0.089 1.314 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.400 2.741 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.957 1.051 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.788 2.264 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.262 3.687 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.646 3.209 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.005 2.669 0.722 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.198 -1.526 -1.191 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.998 -2.856 -1.844 1.00 0.00 C ATOM 1345 C GLN A 84 -2.183 -2.713 -3.353 1.00 0.00 C ATOM 1346 O GLN A 84 -3.179 -2.198 -3.820 1.00 0.00 O ATOM 1347 CB GLN A 84 -3.032 -3.843 -1.301 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.751 -4.102 0.178 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.827 -5.024 0.747 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.673 -5.509 0.021 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.835 -5.288 2.025 1.00 0.00 N ATOM 0 H GLN A 84 -3.169 -1.221 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.993 -3.221 -1.632 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.037 -3.441 -1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.989 -4.777 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.767 -4.556 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.737 -3.160 0.727 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.125 -4.881 2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.551 -5.901 2.415 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.229 -3.167 -4.118 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.332 -3.069 -5.605 1.00 0.00 C ATOM 1362 C VAL A 85 -1.827 -4.406 -6.159 1.00 0.00 C ATOM 1363 O VAL A 85 -1.328 -5.457 -5.793 1.00 0.00 O ATOM 1364 CB VAL A 85 0.043 -2.752 -6.187 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.094 -2.455 -7.677 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.626 -1.534 -5.470 1.00 0.00 C ATOM 0 H VAL A 85 -0.374 -3.606 -3.775 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.030 -2.278 -5.877 1.00 0.00 H new ATOM 0 HB VAL A 85 0.707 -3.606 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.887 -2.228 -8.095 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.512 -3.324 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.755 -1.600 -7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.608 -1.304 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.035 -0.679 -5.609 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.721 -1.749 -4.406 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.806 -4.376 -7.031 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.358 -5.641 -7.614 1.00 0.00 C ATOM 1378 C ASN A 86 -3.302 -5.578 -9.140 1.00 0.00 C ATOM 1379 O ASN A 86 -2.752 -4.663 -9.721 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.815 -5.804 -7.178 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.591 -4.518 -7.471 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.257 -3.784 -8.379 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.623 -4.215 -6.732 1.00 0.00 N ATOM 0 H ASN A 86 -3.251 -3.522 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.765 -6.485 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.270 -6.642 -7.705 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.862 -6.033 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -7.150 -3.361 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.903 -4.832 -5.970 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.868 -6.556 -9.789 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.859 -6.592 -11.278 1.00 0.00 C ATOM 1392 C LYS A 87 -4.614 -5.381 -11.835 1.00 0.00 C ATOM 1393 O LYS A 87 -4.208 -4.781 -12.811 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.549 -7.880 -11.736 1.00 0.00 C ATOM 1395 CG LYS A 87 -4.448 -8.011 -13.255 1.00 0.00 C ATOM 1396 CD LYS A 87 -5.086 -9.331 -13.697 1.00 0.00 C ATOM 1397 CE LYS A 87 -4.967 -9.471 -15.216 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.594 -10.752 -15.652 1.00 0.00 N ATOM 0 H LYS A 87 -4.343 -7.342 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.832 -6.563 -11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.085 -8.742 -11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.596 -7.870 -11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.950 -7.172 -13.737 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.404 -7.978 -13.565 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.593 -10.169 -13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.134 -9.358 -13.399 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.455 -8.630 -15.708 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.918 -9.449 -15.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.512 -10.845 -16.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.109 -11.550 -15.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.599 -10.756 -15.383 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.711 -5.023 -11.229 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.496 -3.858 -11.731 1.00 0.00 C ATOM 1414 C ASN A 88 -5.710 -2.564 -11.499 1.00 0.00 C ATOM 1415 O ASN A 88 -6.045 -1.522 -12.026 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.826 -3.779 -10.976 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.571 -5.109 -11.099 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -9.331 -5.475 -10.224 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -8.387 -5.853 -12.154 1.00 0.00 N ATOM 0 H ASN A 88 -6.099 -5.486 -10.407 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.682 -3.984 -12.798 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.646 -3.548 -9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.436 -2.971 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.881 -6.741 -12.244 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.749 -5.547 -12.889 1.00 0.00 H new ATOM 1426 N SER A 89 -4.671 -2.621 -10.711 1.00 0.00 N ATOM 1427 CA SER A 89 -3.866 -1.392 -10.442 1.00 0.00 C ATOM 1428 C SER A 89 -2.860 -1.172 -11.575 1.00 0.00 C ATOM 1429 O SER A 89 -2.588 -2.059 -12.358 1.00 0.00 O ATOM 1430 CB SER A 89 -3.118 -1.549 -9.120 1.00 0.00 C ATOM 1431 OG SER A 89 -4.056 -1.762 -8.075 1.00 0.00 O ATOM 0 H SER A 89 -4.344 -3.465 -10.241 1.00 0.00 H new ATOM 0 HA SER A 89 -4.534 -0.533 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.424 -2.388 -9.178 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.525 -0.658 -8.916 1.00 0.00 H new ATOM 0 HG SER A 89 -4.621 -2.532 -8.295 1.00 0.00 H new ATOM 1437 N SER A 90 -2.308 0.011 -11.670 1.00 0.00 N ATOM 1438 CA SER A 90 -1.317 0.308 -12.751 1.00 0.00 C ATOM 1439 C SER A 90 -0.200 1.176 -12.178 1.00 0.00 C ATOM 1440 O SER A 90 -0.354 1.792 -11.139 1.00 0.00 O ATOM 1441 CB SER A 90 -2.015 1.056 -13.884 1.00 0.00 C ATOM 1442 OG SER A 90 -2.122 2.431 -13.542 1.00 0.00 O ATOM 0 H SER A 90 -2.502 0.790 -11.041 1.00 0.00 H new ATOM 0 HA SER A 90 -0.898 -0.622 -13.135 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.453 0.943 -14.811 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.005 0.634 -14.058 1.00 0.00 H new ATOM 0 HG SER A 90 -2.568 2.915 -14.268 1.00 0.00 H new ATOM 1448 N ILE A 91 0.923 1.248 -12.853 1.00 0.00 N ATOM 1449 CA ILE A 91 2.059 2.086 -12.361 1.00 0.00 C ATOM 1450 C ILE A 91 2.688 2.829 -13.543 1.00 0.00 C ATOM 1451 O ILE A 91 2.998 2.238 -14.559 1.00 0.00 O ATOM 1452 CB ILE A 91 3.118 1.187 -11.721 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.529 0.512 -10.478 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.334 2.032 -11.328 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.506 -0.532 -9.940 1.00 0.00 C ATOM 0 H ILE A 91 1.101 0.758 -13.730 1.00 0.00 H new ATOM 0 HA ILE A 91 1.689 2.800 -11.626 1.00 0.00 H new ATOM 0 HB ILE A 91 3.428 0.422 -12.432 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.323 1.259 -9.711 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.579 0.039 -10.726 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.089 1.392 -10.872 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.749 2.507 -12.217 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.029 2.799 -10.616 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.080 -1.007 -9.056 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.690 -1.286 -10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.446 -0.048 -9.674 1.00 0.00 H new ATOM 1467 N GLU A 92 2.885 4.119 -13.417 1.00 0.00 N ATOM 1468 CA GLU A 92 3.502 4.912 -14.527 1.00 0.00 C ATOM 1469 C GLU A 92 4.649 5.754 -13.961 1.00 0.00 C ATOM 1470 O GLU A 92 4.526 6.380 -12.927 1.00 0.00 O ATOM 1471 CB GLU A 92 2.448 5.830 -15.149 1.00 0.00 C ATOM 1472 CG GLU A 92 3.061 6.581 -16.332 1.00 0.00 C ATOM 1473 CD GLU A 92 1.994 7.461 -16.984 1.00 0.00 C ATOM 1474 OE1 GLU A 92 0.826 7.253 -16.696 1.00 0.00 O ATOM 1475 OE2 GLU A 92 2.362 8.325 -17.761 1.00 0.00 O ATOM 0 H GLU A 92 2.643 4.660 -12.587 1.00 0.00 H new ATOM 0 HA GLU A 92 3.885 4.238 -15.293 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.591 5.245 -15.481 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.082 6.538 -14.405 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.897 7.194 -15.994 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.459 5.873 -17.059 1.00 0.00 H new ATOM 1482 N LYS A 93 5.765 5.763 -14.636 1.00 0.00 N ATOM 1483 CA LYS A 93 6.935 6.550 -14.153 1.00 0.00 C ATOM 1484 C LYS A 93 6.694 8.037 -14.404 1.00 0.00 C ATOM 1485 O LYS A 93 6.247 8.432 -15.462 1.00 0.00 O ATOM 1486 CB LYS A 93 8.187 6.098 -14.906 1.00 0.00 C ATOM 1487 CG LYS A 93 9.409 6.866 -14.396 1.00 0.00 C ATOM 1488 CD LYS A 93 10.660 6.355 -15.113 1.00 0.00 C ATOM 1489 CE LYS A 93 11.892 7.094 -14.589 1.00 0.00 C ATOM 1490 NZ LYS A 93 11.829 8.523 -15.006 1.00 0.00 N ATOM 0 H LYS A 93 5.918 5.256 -15.507 1.00 0.00 H new ATOM 0 HA LYS A 93 7.070 6.386 -13.084 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.337 5.027 -14.769 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.060 6.268 -15.975 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.283 7.934 -14.575 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.513 6.734 -13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.771 5.283 -14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.563 6.507 -16.188 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.937 7.023 -13.502 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.799 6.631 -14.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.767 8.959 -14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.536 8.581 -16.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.140 9.028 -14.412 1.00 0.00 H new ATOM 1504 N LEU A 94 6.988 8.865 -13.436 1.00 0.00 N ATOM 1505 CA LEU A 94 6.775 10.334 -13.609 1.00 0.00 C ATOM 1506 C LEU A 94 8.071 11.004 -14.076 1.00 0.00 C ATOM 1507 O LEU A 94 9.130 10.822 -13.506 1.00 0.00 O ATOM 1508 CB LEU A 94 6.302 10.939 -12.264 1.00 0.00 C ATOM 1509 CG LEU A 94 4.933 11.632 -12.434 1.00 0.00 C ATOM 1510 CD1 LEU A 94 5.043 12.765 -13.485 1.00 0.00 C ATOM 1511 CD2 LEU A 94 3.862 10.593 -12.856 1.00 0.00 C ATOM 0 H LEU A 94 7.367 8.587 -12.531 1.00 0.00 H new ATOM 0 HA LEU A 94 6.012 10.507 -14.368 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.228 10.154 -11.512 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.038 11.658 -11.903 1.00 0.00 H new ATOM 0 HG LEU A 94 4.631 12.071 -11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.074 13.250 -13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.778 13.498 -13.154 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.355 12.345 -14.441 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.899 11.090 -12.974 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.152 10.135 -13.802 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.781 9.822 -12.090 1.00 0.00 H new ATOM 1523 N SER A 95 7.977 11.782 -15.115 1.00 0.00 N ATOM 1524 CA SER A 95 9.176 12.481 -15.644 1.00 0.00 C ATOM 1525 C SER A 95 9.497 13.685 -14.757 1.00 0.00 C ATOM 1526 O SER A 95 10.499 14.345 -14.937 1.00 0.00 O ATOM 1527 CB SER A 95 8.892 12.963 -17.064 1.00 0.00 C ATOM 1528 OG SER A 95 10.055 13.594 -17.586 1.00 0.00 O ATOM 0 H SER A 95 7.112 11.965 -15.624 1.00 0.00 H new ATOM 0 HA SER A 95 10.024 11.796 -15.650 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.606 12.122 -17.696 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.055 13.661 -17.063 1.00 0.00 H new ATOM 0 HG SER A 95 10.625 13.892 -16.847 1.00 0.00 H new ATOM 1534 N GLU A 96 8.642 13.983 -13.805 1.00 0.00 N ATOM 1535 CA GLU A 96 8.877 15.151 -12.897 1.00 0.00 C ATOM 1536 C GLU A 96 9.107 14.642 -11.465 1.00 0.00 C ATOM 1537 O GLU A 96 8.166 14.408 -10.732 1.00 0.00 O ATOM 1538 CB GLU A 96 7.647 16.060 -12.920 1.00 0.00 C ATOM 1539 CG GLU A 96 7.559 16.744 -14.288 1.00 0.00 C ATOM 1540 CD GLU A 96 8.632 17.832 -14.385 1.00 0.00 C ATOM 1541 OE1 GLU A 96 8.769 18.591 -13.439 1.00 0.00 O ATOM 1542 OE2 GLU A 96 9.299 17.889 -15.406 1.00 0.00 O ATOM 0 H GLU A 96 7.785 13.462 -13.618 1.00 0.00 H new ATOM 0 HA GLU A 96 9.752 15.708 -13.232 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.745 15.478 -12.731 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.716 16.807 -12.129 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.697 16.011 -15.083 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.570 17.181 -14.425 1.00 0.00 H new ATOM 1549 N PRO A 97 10.347 14.479 -11.061 1.00 0.00 N ATOM 1550 CA PRO A 97 10.686 13.995 -9.688 1.00 0.00 C ATOM 1551 C PRO A 97 9.990 14.820 -8.596 1.00 0.00 C ATOM 1552 O PRO A 97 9.682 15.982 -8.778 1.00 0.00 O ATOM 1553 CB PRO A 97 12.216 14.150 -9.608 1.00 0.00 C ATOM 1554 CG PRO A 97 12.688 14.123 -11.028 1.00 0.00 C ATOM 1555 CD PRO A 97 11.558 14.724 -11.864 1.00 0.00 C ATOM 0 HA PRO A 97 10.352 12.971 -9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.492 15.084 -9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.664 13.343 -9.029 1.00 0.00 H new ATOM 0 HG2 PRO A 97 13.607 14.698 -11.144 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.908 13.104 -11.346 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.713 15.789 -12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 97 11.490 14.249 -12.843 1.00 0.00 H new ATOM 1563 N ILE A 98 9.735 14.216 -7.465 1.00 0.00 N ATOM 1564 CA ILE A 98 9.054 14.934 -6.346 1.00 0.00 C ATOM 1565 C ILE A 98 10.094 15.349 -5.307 1.00 0.00 C ATOM 1566 O ILE A 98 10.954 14.577 -4.930 1.00 0.00 O ATOM 1567 CB ILE A 98 8.022 14.005 -5.710 1.00 0.00 C ATOM 1568 CG1 ILE A 98 6.978 13.637 -6.764 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.341 14.716 -4.541 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.066 12.536 -6.224 1.00 0.00 C ATOM 0 H ILE A 98 9.972 13.244 -7.266 1.00 0.00 H new ATOM 0 HA ILE A 98 8.552 15.824 -6.725 1.00 0.00 H new ATOM 0 HB ILE A 98 8.512 13.104 -5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.388 14.515 -7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.471 13.299 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.605 14.051 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.088 14.990 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.843 15.616 -4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.323 12.276 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.662 11.656 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.562 12.890 -5.325 1.00 0.00 H new ATOM 1582 N GLU A 99 10.029 16.569 -4.848 1.00 0.00 N ATOM 1583 CA GLU A 99 11.019 17.046 -3.840 1.00 0.00 C ATOM 1584 C GLU A 99 10.553 16.664 -2.437 1.00 0.00 C ATOM 1585 O GLU A 99 9.416 16.881 -2.068 1.00 0.00 O ATOM 1586 CB GLU A 99 11.139 18.567 -3.928 1.00 0.00 C ATOM 1587 CG GLU A 99 11.739 18.967 -5.278 1.00 0.00 C ATOM 1588 CD GLU A 99 13.166 18.427 -5.396 1.00 0.00 C ATOM 1589 OE1 GLU A 99 13.748 18.121 -4.368 1.00 0.00 O ATOM 1590 OE2 GLU A 99 13.654 18.334 -6.510 1.00 0.00 O ATOM 0 H GLU A 99 9.331 17.258 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 99 11.986 16.584 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.157 19.025 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.766 18.938 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.125 18.575 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.743 20.053 -5.377 1.00 0.00 H new