USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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: B 133 GLN :FLIP amide:sc= 0 F(o=-0.78,f=-0.22) USER MOD Set 1.2: B 134 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.1!) USER MOD Set 2.1: A 31 THR OG1 : rot 83:sc= -0.707 USER MOD Set 2.2: B 131 THR OG1 : rot -120:sc=-0.00575 USER MOD Set 3.1: B 114 TYR OH : rot 25:sc= -0.153 USER MOD Set 3.2: B 123 ASN : amide:sc= 0.91 K(o=0.76,f=-3.4!) USER MOD Set 4.1: A 14 TYR OH : rot 110:sc= -1.92! USER MOD Set 4.2: B 103 GLN : amide:sc= -1.1 X(o=-3,f=-3.4) USER MOD Set 5.1: A 30 THR OG1 : rot -23:sc= 1.11 USER MOD Set 5.2: A 33 GLN : amide:sc= -0.136 K(o=0.97,f=-6.9!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.4!) USER MOD Single : A 6 THR OG1 : rot 80:sc= -3.11! USER MOD Single : A 8 THR OG1 : rot 53:sc= 0.0692 USER MOD Single : A 11 SER OG : rot 51:sc= 0.119 USER MOD Single : A 13 SER OG : rot 110:sc= -2.4! USER MOD Single : A 15 GLN : amide:sc= -1.35 X(o=-1.3,f=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 120:sc= -0.435 USER MOD Single : A 23 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.596 USER MOD Single : A 29 SER OG : rot -100:sc= 0.856 USER MOD Single : A 32 MET CE :methyl -115:sc= -17.8! (180deg=-24.9!) USER MOD Single : A 34 ASN : amide:sc= -0.101 K(o=-0.1,f=-0.79) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot -130:sc= -2.83! USER MOD Single : B 108 THR OG1 : rot 61:sc= 0.284 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 115 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.39) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot -165:sc= -1.6 USER MOD Single : B 125 SER OG : rot 180:sc= -0.533 USER MOD Single : B 129 SER OG : rot -73:sc= 0.0662! USER MOD Single : B 130 THR OG1 : rot 98:sc= 1.14 USER MOD Single : B 132 MET CE :methyl 133:sc= -18.3! (180deg=-22!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.847 -10.539 13.184 1.00 0.00 N ATOM 21 CA LYS A 2 4.557 -10.043 11.837 1.00 0.00 C ATOM 22 C LYS A 2 3.257 -10.636 11.305 1.00 0.00 C ATOM 23 O LYS A 2 3.110 -11.857 11.208 1.00 0.00 O ATOM 24 CB LYS A 2 5.703 -10.344 10.864 1.00 0.00 C ATOM 25 CG LYS A 2 6.126 -11.804 10.834 1.00 0.00 C ATOM 26 CD LYS A 2 5.880 -12.422 9.467 1.00 0.00 C ATOM 27 CE LYS A 2 6.586 -13.760 9.325 1.00 0.00 C ATOM 28 NZ LYS A 2 5.663 -14.905 9.589 1.00 0.00 N ATOM 0 HA LYS A 2 4.448 -8.961 11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.401 -10.044 9.861 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.564 -9.733 11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.183 -11.884 11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 2 5.574 -12.360 11.592 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.809 -12.557 9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.229 -11.741 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.997 -13.849 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.426 -13.803 10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.181 -15.800 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.290 -14.834 10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.875 -14.879 8.911 1.00 0.00 H new ATOM 42 N GLN A 3 2.319 -9.766 10.953 1.00 0.00 N ATOM 43 CA GLN A 3 1.034 -10.192 10.422 1.00 0.00 C ATOM 44 C GLN A 3 0.937 -9.852 8.953 1.00 0.00 C ATOM 45 O GLN A 3 1.000 -8.686 8.568 1.00 0.00 O ATOM 46 CB GLN A 3 -0.124 -9.542 11.200 1.00 0.00 C ATOM 47 CG GLN A 3 -1.487 -9.778 10.571 1.00 0.00 C ATOM 48 CD GLN A 3 -2.045 -11.161 10.846 1.00 0.00 C ATOM 49 OE1 GLN A 3 -1.638 -11.835 11.789 1.00 0.00 O ATOM 50 NE2 GLN A 3 -2.985 -11.590 10.017 1.00 0.00 N ATOM 0 H GLN A 3 2.427 -8.754 11.027 1.00 0.00 H new ATOM 0 HA GLN A 3 0.957 -11.273 10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.131 -9.931 12.218 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.054 -8.469 11.270 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.186 -9.031 10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.412 -9.632 9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.294 -10.998 9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.400 -12.512 10.150 1.00 0.00 H new ATOM 59 N ARG A 4 0.808 -10.875 8.126 1.00 0.00 N ATOM 60 CA ARG A 4 0.739 -10.663 6.705 1.00 0.00 C ATOM 61 C ARG A 4 -0.633 -10.197 6.261 1.00 0.00 C ATOM 62 O ARG A 4 -1.583 -10.977 6.169 1.00 0.00 O ATOM 63 CB ARG A 4 1.103 -11.929 5.958 1.00 0.00 C ATOM 64 CG ARG A 4 1.969 -11.658 4.755 1.00 0.00 C ATOM 65 CD ARG A 4 2.460 -12.951 4.152 1.00 0.00 C ATOM 66 NE ARG A 4 3.618 -13.481 4.882 1.00 0.00 N ATOM 67 CZ ARG A 4 4.558 -14.252 4.349 1.00 0.00 C ATOM 68 NH1 ARG A 4 4.488 -14.626 3.094 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.572 -14.664 5.082 1.00 0.00 N ATOM 0 H ARG A 4 0.750 -11.850 8.418 1.00 0.00 H new ATOM 0 HA ARG A 4 1.457 -9.877 6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.625 -12.608 6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.191 -12.434 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.403 -11.096 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.819 -11.039 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.655 -13.686 4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.730 -12.787 3.109 1.00 0.00 H new ATOM 0 HE ARG A 4 3.707 -13.240 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.704 -14.324 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.217 -15.219 2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.637 -14.391 6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.292 -15.256 4.669 1.00 0.00 H new ATOM 83 N ILE A 5 -0.700 -8.924 5.933 1.00 0.00 N ATOM 84 CA ILE A 5 -1.916 -8.318 5.431 1.00 0.00 C ATOM 85 C ILE A 5 -1.680 -7.997 3.974 1.00 0.00 C ATOM 86 O ILE A 5 -0.654 -7.405 3.628 1.00 0.00 O ATOM 87 CB ILE A 5 -2.272 -7.034 6.202 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.384 -5.879 5.732 1.00 0.00 C ATOM 89 CG2 ILE A 5 -2.101 -7.275 7.693 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.882 -4.507 6.108 1.00 0.00 C ATOM 0 H ILE A 5 0.087 -8.279 6.007 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.752 -9.005 5.559 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.311 -6.766 6.007 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.385 -6.014 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.288 -5.931 4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.353 -6.366 8.240 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.761 -8.083 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.067 -7.549 7.901 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.189 -3.753 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.867 -4.345 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.950 -4.429 7.193 1.00 0.00 H new ATOM 102 N THR A 6 -2.558 -8.422 3.098 1.00 0.00 N ATOM 103 CA THR A 6 -2.312 -8.167 1.697 1.00 0.00 C ATOM 104 C THR A 6 -3.516 -7.592 0.954 1.00 0.00 C ATOM 105 O THR A 6 -4.611 -8.150 0.998 1.00 0.00 O ATOM 106 CB THR A 6 -1.757 -9.433 1.024 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.308 -9.616 -0.262 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.970 -10.715 1.808 1.00 0.00 C ATOM 0 H THR A 6 -3.417 -8.927 3.315 1.00 0.00 H new ATOM 0 HA THR A 6 -1.559 -7.381 1.640 1.00 0.00 H new ATOM 0 HB THR A 6 -0.683 -9.251 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.846 -9.035 -0.902 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.546 -11.554 1.256 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.479 -10.634 2.778 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.038 -10.879 1.954 1.00 0.00 H new ATOM 116 N VAL A 7 -3.268 -6.513 0.193 1.00 0.00 N ATOM 117 CA VAL A 7 -4.289 -5.898 -0.660 1.00 0.00 C ATOM 118 C VAL A 7 -4.025 -6.357 -2.084 1.00 0.00 C ATOM 119 O VAL A 7 -3.063 -5.911 -2.709 1.00 0.00 O ATOM 120 CB VAL A 7 -4.321 -4.326 -0.589 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.008 -3.753 -0.077 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.683 -3.674 -1.944 1.00 0.00 C ATOM 0 H VAL A 7 -2.361 -6.048 0.154 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.268 -6.217 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.111 -4.082 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.074 -2.665 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.810 -4.135 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.198 -4.047 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.690 -2.589 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.945 -3.959 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.670 -4.014 -2.259 1.00 0.00 H new ATOM 132 N THR A 8 -4.836 -7.269 -2.595 1.00 0.00 N ATOM 133 CA THR A 8 -4.631 -7.771 -3.944 1.00 0.00 C ATOM 134 C THR A 8 -4.971 -6.692 -4.967 1.00 0.00 C ATOM 135 O THR A 8 -6.122 -6.555 -5.377 1.00 0.00 O ATOM 136 CB THR A 8 -5.464 -9.026 -4.172 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.765 -8.878 -3.644 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.863 -10.252 -3.542 1.00 0.00 C ATOM 0 H THR A 8 -5.633 -7.673 -2.103 1.00 0.00 H new ATOM 0 HA THR A 8 -3.581 -8.035 -4.068 1.00 0.00 H new ATOM 0 HB THR A 8 -5.493 -9.156 -5.254 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.169 -8.057 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.502 -11.113 -3.739 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.874 -10.430 -3.964 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.777 -10.103 -2.466 1.00 0.00 H new ATOM 146 N VAL A 9 -3.960 -5.916 -5.356 1.00 0.00 N ATOM 147 CA VAL A 9 -4.155 -4.830 -6.313 1.00 0.00 C ATOM 148 C VAL A 9 -3.991 -5.309 -7.758 1.00 0.00 C ATOM 149 O VAL A 9 -4.377 -6.436 -8.067 1.00 0.00 O ATOM 150 CB VAL A 9 -3.228 -3.627 -6.032 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.924 -2.327 -6.408 1.00 0.00 C ATOM 152 CG2 VAL A 9 -2.813 -3.587 -4.574 1.00 0.00 C ATOM 0 H VAL A 9 -3.001 -6.019 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.183 -4.491 -6.183 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.331 -3.743 -6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.260 -1.487 -6.205 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.176 -2.343 -7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.836 -2.219 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.161 -2.730 -4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.699 -3.498 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.280 -4.504 -4.322 1.00 0.00 H new ATOM 162 N ASP A 10 -3.484 -4.423 -8.640 1.00 0.00 N ATOM 163 CA ASP A 10 -3.331 -4.682 -10.087 1.00 0.00 C ATOM 164 C ASP A 10 -4.150 -3.632 -10.861 1.00 0.00 C ATOM 165 O ASP A 10 -4.177 -3.614 -12.095 1.00 0.00 O ATOM 166 CB ASP A 10 -3.822 -6.079 -10.472 1.00 0.00 C ATOM 167 CG ASP A 10 -3.567 -6.431 -11.929 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.435 -6.221 -12.407 1.00 0.00 O ATOM 169 OD2 ASP A 10 -4.499 -6.941 -12.591 1.00 0.00 O ATOM 0 H ASP A 10 -3.165 -3.495 -8.363 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.272 -4.620 -10.336 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.331 -6.816 -9.837 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.891 -6.148 -10.272 1.00 0.00 H new ATOM 174 N SER A 11 -4.804 -2.749 -10.099 1.00 0.00 N ATOM 175 CA SER A 11 -5.623 -1.677 -10.656 1.00 0.00 C ATOM 176 C SER A 11 -5.822 -0.510 -9.673 1.00 0.00 C ATOM 177 O SER A 11 -5.979 0.630 -10.108 1.00 0.00 O ATOM 178 CB SER A 11 -6.990 -2.224 -11.085 1.00 0.00 C ATOM 179 OG SER A 11 -7.583 -3.005 -10.055 1.00 0.00 O ATOM 0 H SER A 11 -4.778 -2.761 -9.079 1.00 0.00 H new ATOM 0 HA SER A 11 -5.086 -1.288 -11.521 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.651 -1.396 -11.342 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.875 -2.831 -11.983 1.00 0.00 H new ATOM 0 HG SER A 11 -7.568 -2.503 -9.214 1.00 0.00 H new ATOM 185 N ASP A 12 -5.887 -0.787 -8.359 1.00 0.00 N ATOM 186 CA ASP A 12 -6.151 0.263 -7.376 1.00 0.00 C ATOM 187 C ASP A 12 -4.959 1.217 -7.078 1.00 0.00 C ATOM 188 O ASP A 12 -4.992 1.933 -6.088 1.00 0.00 O ATOM 189 CB ASP A 12 -6.676 -0.395 -6.099 1.00 0.00 C ATOM 190 CG ASP A 12 -7.947 -1.189 -6.337 1.00 0.00 C ATOM 191 OD1 ASP A 12 -7.884 -2.225 -7.038 1.00 0.00 O ATOM 192 OD2 ASP A 12 -9.003 -0.772 -5.825 1.00 0.00 O ATOM 0 H ASP A 12 -5.761 -1.718 -7.963 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.898 0.925 -7.814 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.910 -1.055 -5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.866 0.373 -5.349 1.00 0.00 H new ATOM 197 N SER A 13 -3.966 1.294 -7.975 1.00 0.00 N ATOM 198 CA SER A 13 -2.828 2.233 -7.841 1.00 0.00 C ATOM 199 C SER A 13 -1.705 1.767 -6.908 1.00 0.00 C ATOM 200 O SER A 13 -0.784 2.534 -6.625 1.00 0.00 O ATOM 201 CB SER A 13 -3.332 3.591 -7.368 1.00 0.00 C ATOM 202 OG SER A 13 -4.327 4.092 -8.249 1.00 0.00 O ATOM 0 H SER A 13 -3.923 0.713 -8.812 1.00 0.00 H new ATOM 0 HA SER A 13 -2.388 2.289 -8.837 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.742 3.502 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.501 4.294 -7.313 1.00 0.00 H new ATOM 0 HG SER A 13 -5.199 4.072 -7.802 1.00 0.00 H new ATOM 208 N TYR A 14 -1.760 0.527 -6.445 1.00 0.00 N ATOM 209 CA TYR A 14 -0.718 -0.005 -5.559 1.00 0.00 C ATOM 210 C TYR A 14 0.651 -0.061 -6.245 1.00 0.00 C ATOM 211 O TYR A 14 1.673 0.285 -5.644 1.00 0.00 O ATOM 212 CB TYR A 14 -1.097 -1.402 -5.099 1.00 0.00 C ATOM 213 CG TYR A 14 0.028 -2.396 -5.217 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.999 -2.484 -4.236 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.119 -3.233 -6.315 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.032 -3.393 -4.340 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.142 -4.143 -6.433 1.00 0.00 C ATOM 218 CZ TYR A 14 2.096 -4.226 -5.443 1.00 0.00 C ATOM 219 OH TYR A 14 3.108 -5.147 -5.555 1.00 0.00 O ATOM 0 H TYR A 14 -2.508 -0.132 -6.663 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.643 0.671 -4.707 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.426 -1.358 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.945 -1.753 -5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.948 -1.832 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.627 -3.170 -7.093 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.784 -3.454 -3.567 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.198 -4.789 -7.297 1.00 0.00 H new ATOM 0 HH TYR A 14 2.743 -6.049 -5.443 1.00 0.00 H new ATOM 229 N GLN A 15 0.664 -0.563 -7.481 1.00 0.00 N ATOM 230 CA GLN A 15 1.906 -0.750 -8.230 1.00 0.00 C ATOM 231 C GLN A 15 2.805 0.498 -8.239 1.00 0.00 C ATOM 232 O GLN A 15 4.018 0.376 -8.113 1.00 0.00 O ATOM 233 CB GLN A 15 1.610 -1.183 -9.674 1.00 0.00 C ATOM 234 CG GLN A 15 0.612 -2.333 -9.803 1.00 0.00 C ATOM 235 CD GLN A 15 -0.328 -2.164 -10.985 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.659 -1.047 -11.373 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.761 -3.274 -11.567 1.00 0.00 N ATOM 0 H GLN A 15 -0.176 -0.848 -7.985 1.00 0.00 H new ATOM 0 HA GLN A 15 2.454 -1.537 -7.711 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.227 -0.324 -10.225 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.546 -1.476 -10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.157 -3.271 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.027 -2.405 -8.886 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.463 -4.184 -11.215 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.392 -3.218 -12.367 1.00 0.00 H new ATOM 246 N LEU A 16 2.220 1.688 -8.397 1.00 0.00 N ATOM 247 CA LEU A 16 2.999 2.939 -8.435 1.00 0.00 C ATOM 248 C LEU A 16 3.809 3.173 -7.147 1.00 0.00 C ATOM 249 O LEU A 16 4.996 3.489 -7.202 1.00 0.00 O ATOM 250 CB LEU A 16 2.071 4.129 -8.687 1.00 0.00 C ATOM 251 CG LEU A 16 2.442 4.998 -9.891 1.00 0.00 C ATOM 252 CD1 LEU A 16 1.232 5.771 -10.388 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.574 5.950 -9.533 1.00 0.00 C ATOM 0 H LEU A 16 1.214 1.817 -8.501 1.00 0.00 H new ATOM 0 HA LEU A 16 3.713 2.844 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.057 3.756 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.060 4.756 -7.796 1.00 0.00 H new ATOM 0 HG LEU A 16 2.783 4.344 -10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.517 6.382 -11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.451 5.072 -10.686 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.859 6.414 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.825 6.560 -10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.260 6.597 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.449 5.376 -9.228 1.00 0.00 H new ATOM 265 N LEU A 17 3.148 3.026 -6.001 1.00 0.00 N ATOM 266 CA LEU A 17 3.809 3.232 -4.702 1.00 0.00 C ATOM 267 C LEU A 17 5.111 2.451 -4.609 1.00 0.00 C ATOM 268 O LEU A 17 6.185 3.013 -4.388 1.00 0.00 O ATOM 269 CB LEU A 17 2.909 2.810 -3.553 1.00 0.00 C ATOM 270 CG LEU A 17 2.475 3.948 -2.636 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.625 4.360 -1.737 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.993 5.131 -3.456 1.00 0.00 C ATOM 0 H LEU A 17 2.163 2.767 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 17 4.021 4.298 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.019 2.331 -3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.429 2.060 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 17 1.651 3.602 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.305 5.173 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.935 3.510 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.463 4.694 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.686 5.936 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.800 5.481 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.146 4.827 -4.070 1.00 0.00 H new ATOM 284 N LYS A 18 5.003 1.152 -4.800 1.00 0.00 N ATOM 285 CA LYS A 18 6.155 0.267 -4.761 1.00 0.00 C ATOM 286 C LYS A 18 7.036 0.502 -5.977 1.00 0.00 C ATOM 287 O LYS A 18 8.242 0.265 -5.946 1.00 0.00 O ATOM 288 CB LYS A 18 5.680 -1.172 -4.720 1.00 0.00 C ATOM 289 CG LYS A 18 4.724 -1.478 -5.847 1.00 0.00 C ATOM 290 CD LYS A 18 4.875 -2.911 -6.312 1.00 0.00 C ATOM 291 CE LYS A 18 4.482 -3.081 -7.769 1.00 0.00 C ATOM 292 NZ LYS A 18 5.308 -4.123 -8.442 1.00 0.00 N ATOM 0 H LYS A 18 4.119 0.679 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 18 6.743 0.474 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.539 -1.840 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.191 -1.367 -3.765 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.700 -1.305 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.909 -0.800 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.909 -3.229 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.257 -3.560 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.429 -3.354 -7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.598 -2.131 -8.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.012 -4.212 -9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.311 -3.850 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.178 -5.035 -7.959 1.00 0.00 H new ATOM 306 N ALA A 19 6.408 0.989 -7.038 1.00 0.00 N ATOM 307 CA ALA A 19 7.103 1.294 -8.276 1.00 0.00 C ATOM 308 C ALA A 19 8.086 2.439 -8.063 1.00 0.00 C ATOM 309 O ALA A 19 9.098 2.527 -8.758 1.00 0.00 O ATOM 310 CB ALA A 19 6.122 1.637 -9.388 1.00 0.00 C ATOM 0 H ALA A 19 5.407 1.182 -7.063 1.00 0.00 H new ATOM 0 HA ALA A 19 7.657 0.406 -8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.672 1.861 -10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.458 0.790 -9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.532 2.506 -9.098 1.00 0.00 H new ATOM 316 N TYR A 20 7.797 3.308 -7.084 1.00 0.00 N ATOM 317 CA TYR A 20 8.686 4.411 -6.796 1.00 0.00 C ATOM 318 C TYR A 20 9.753 3.982 -5.788 1.00 0.00 C ATOM 319 O TYR A 20 10.910 4.342 -5.977 1.00 0.00 O ATOM 320 CB TYR A 20 7.915 5.696 -6.407 1.00 0.00 C ATOM 321 CG TYR A 20 7.373 5.814 -4.994 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.159 5.585 -3.871 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.047 6.195 -4.796 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.633 5.718 -2.600 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.523 6.331 -3.530 1.00 0.00 C ATOM 326 CZ TYR A 20 6.317 6.088 -2.437 1.00 0.00 C ATOM 327 OH TYR A 20 5.790 6.211 -1.174 1.00 0.00 O ATOM 0 H TYR A 20 6.966 3.260 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 20 9.218 4.685 -7.707 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.576 6.545 -6.581 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.075 5.800 -7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.193 5.300 -3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.418 6.387 -5.653 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.253 5.532 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.493 6.627 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 20 5.476 7.129 -1.038 1.00 0.00 H new ATOM 337 N ASP A 21 9.378 3.155 -4.772 1.00 0.00 N ATOM 338 CA ASP A 21 10.360 2.622 -3.789 1.00 0.00 C ATOM 339 C ASP A 21 9.764 2.385 -2.396 1.00 0.00 C ATOM 340 O ASP A 21 10.454 2.550 -1.388 1.00 0.00 O ATOM 341 CB ASP A 21 11.592 3.536 -3.653 1.00 0.00 C ATOM 342 CG ASP A 21 12.800 3.013 -4.414 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.997 1.777 -4.455 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.556 3.840 -4.966 1.00 0.00 O ATOM 0 H ASP A 21 8.418 2.848 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 21 10.661 1.657 -4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.342 4.532 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.849 3.638 -2.599 1.00 0.00 H new ATOM 349 N VAL A 22 8.497 1.994 -2.321 1.00 0.00 N ATOM 350 CA VAL A 22 7.867 1.755 -1.022 1.00 0.00 C ATOM 351 C VAL A 22 6.765 0.708 -1.095 1.00 0.00 C ATOM 352 O VAL A 22 5.590 1.034 -1.296 1.00 0.00 O ATOM 353 CB VAL A 22 7.299 3.070 -0.439 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.367 2.803 0.737 1.00 0.00 C ATOM 355 CG2 VAL A 22 8.432 3.986 -0.018 1.00 0.00 C ATOM 0 H VAL A 22 7.892 1.837 -3.127 1.00 0.00 H new ATOM 0 HA VAL A 22 8.646 1.371 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 22 6.716 3.559 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.986 3.749 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.533 2.184 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.914 2.285 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.021 4.909 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.037 3.491 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.053 4.218 -0.883 1.00 0.00 H new ATOM 365 N ASN A 23 7.144 -0.559 -0.925 1.00 0.00 N ATOM 366 CA ASN A 23 6.170 -1.646 -0.956 1.00 0.00 C ATOM 367 C ASN A 23 5.276 -1.593 0.284 1.00 0.00 C ATOM 368 O ASN A 23 5.240 -2.533 1.077 1.00 0.00 O ATOM 369 CB ASN A 23 6.843 -3.013 -1.045 1.00 0.00 C ATOM 370 CG ASN A 23 7.675 -3.185 -2.302 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.144 -3.436 -3.381 1.00 0.00 O ATOM 372 ND2 ASN A 23 8.987 -3.058 -2.173 1.00 0.00 N ATOM 0 H ASN A 23 8.107 -0.854 -0.766 1.00 0.00 H new ATOM 0 HA ASN A 23 5.564 -1.511 -1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.480 -3.155 -0.172 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.080 -3.790 -1.012 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.593 -3.169 -2.986 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.392 -2.849 -1.260 1.00 0.00 H new ATOM 379 N ILE A 24 4.566 -0.477 0.408 1.00 0.00 N ATOM 380 CA ILE A 24 3.616 -0.154 1.466 1.00 0.00 C ATOM 381 C ILE A 24 3.968 -0.537 2.909 1.00 0.00 C ATOM 382 O ILE A 24 3.250 -0.114 3.811 1.00 0.00 O ATOM 383 CB ILE A 24 2.227 -0.673 1.149 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.249 -1.571 -0.063 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.250 0.469 0.981 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.771 -2.907 0.308 1.00 0.00 C ATOM 0 H ILE A 24 4.644 0.277 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 24 3.663 0.935 1.458 1.00 0.00 H new ATOM 0 HB ILE A 24 1.887 -1.274 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.244 -1.665 -0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.872 -1.131 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.261 0.071 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.205 1.048 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.579 1.112 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.784 -3.550 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.784 -2.806 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.130 -3.349 1.071 1.00 0.00 H new ATOM 398 N SER A 25 4.995 -1.346 3.145 1.00 0.00 N ATOM 399 CA SER A 25 5.324 -1.770 4.500 1.00 0.00 C ATOM 400 C SER A 25 5.112 -0.614 5.503 1.00 0.00 C ATOM 401 O SER A 25 4.249 -0.701 6.390 1.00 0.00 O ATOM 402 CB SER A 25 6.761 -2.303 4.523 1.00 0.00 C ATOM 403 OG SER A 25 7.686 -1.339 5.000 1.00 0.00 O ATOM 0 H SER A 25 5.610 -1.719 2.421 1.00 0.00 H new ATOM 0 HA SER A 25 4.656 -2.574 4.809 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.807 -3.190 5.154 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.048 -2.612 3.518 1.00 0.00 H new ATOM 0 HG SER A 25 8.588 -1.722 4.999 1.00 0.00 H new ATOM 409 N GLY A 26 5.858 0.481 5.337 1.00 0.00 N ATOM 410 CA GLY A 26 5.689 1.636 6.209 1.00 0.00 C ATOM 411 C GLY A 26 4.494 2.492 5.807 1.00 0.00 C ATOM 412 O GLY A 26 3.852 3.111 6.658 1.00 0.00 O ATOM 0 H GLY A 26 6.573 0.588 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.561 1.297 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.594 2.244 6.184 1.00 0.00 H new ATOM 416 N LEU A 27 4.188 2.517 4.505 1.00 0.00 N ATOM 417 CA LEU A 27 3.061 3.287 3.990 1.00 0.00 C ATOM 418 C LEU A 27 1.748 2.814 4.607 1.00 0.00 C ATOM 419 O LEU A 27 1.080 3.578 5.300 1.00 0.00 O ATOM 420 CB LEU A 27 2.995 3.158 2.470 1.00 0.00 C ATOM 421 CG LEU A 27 2.220 4.259 1.759 1.00 0.00 C ATOM 422 CD1 LEU A 27 3.161 5.381 1.365 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.508 3.698 0.539 1.00 0.00 C ATOM 0 H LEU A 27 4.710 2.010 3.790 1.00 0.00 H new ATOM 0 HA LEU A 27 3.210 4.333 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.012 3.141 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.542 2.198 2.222 1.00 0.00 H new ATOM 0 HG LEU A 27 1.467 4.660 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.600 6.165 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.631 5.792 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.929 4.993 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.958 4.496 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.241 3.278 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.813 2.918 0.850 1.00 0.00 H new ATOM 435 N VAL A 28 1.396 1.544 4.370 1.00 0.00 N ATOM 436 CA VAL A 28 0.170 0.968 4.925 1.00 0.00 C ATOM 437 C VAL A 28 0.018 1.325 6.405 1.00 0.00 C ATOM 438 O VAL A 28 -0.892 2.056 6.791 1.00 0.00 O ATOM 439 CB VAL A 28 0.170 -0.569 4.770 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.902 -1.216 5.638 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.023 -0.945 3.317 1.00 0.00 C ATOM 0 H VAL A 28 1.943 0.899 3.799 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.670 1.387 4.370 1.00 0.00 H new ATOM 0 HB VAL A 28 1.137 -0.943 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.874 -2.297 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.717 -0.974 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.882 -0.840 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.021 -2.031 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.975 -0.550 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.788 -0.526 2.722 1.00 0.00 H new ATOM 451 N SER A 29 0.928 0.794 7.210 1.00 0.00 N ATOM 452 CA SER A 29 0.950 1.003 8.655 1.00 0.00 C ATOM 453 C SER A 29 0.834 2.472 9.066 1.00 0.00 C ATOM 454 O SER A 29 0.071 2.791 9.980 1.00 0.00 O ATOM 455 CB SER A 29 2.251 0.438 9.195 1.00 0.00 C ATOM 456 OG SER A 29 3.362 0.899 8.435 1.00 0.00 O ATOM 0 H SER A 29 1.684 0.197 6.875 1.00 0.00 H new ATOM 0 HA SER A 29 0.078 0.497 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.373 0.730 10.238 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.216 -0.651 9.171 1.00 0.00 H new ATOM 0 HG SER A 29 3.640 0.201 7.806 1.00 0.00 H new ATOM 462 N THR A 30 1.558 3.371 8.400 1.00 0.00 N ATOM 463 CA THR A 30 1.469 4.787 8.742 1.00 0.00 C ATOM 464 C THR A 30 0.138 5.323 8.261 1.00 0.00 C ATOM 465 O THR A 30 -0.569 6.025 8.986 1.00 0.00 O ATOM 466 CB THR A 30 2.634 5.592 8.151 1.00 0.00 C ATOM 467 OG1 THR A 30 3.007 6.644 9.029 1.00 0.00 O ATOM 468 CG2 THR A 30 2.345 6.218 6.802 1.00 0.00 C ATOM 0 H THR A 30 2.199 3.150 7.638 1.00 0.00 H new ATOM 0 HA THR A 30 1.537 4.893 9.825 1.00 0.00 H new ATOM 0 HB THR A 30 3.432 4.861 8.020 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.254 6.861 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.222 6.767 6.460 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.103 5.436 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.501 6.902 6.892 1.00 0.00 H new ATOM 476 N THR A 31 -0.211 4.956 7.034 1.00 0.00 N ATOM 477 CA THR A 31 -1.474 5.363 6.454 1.00 0.00 C ATOM 478 C THR A 31 -2.621 4.959 7.387 1.00 0.00 C ATOM 479 O THR A 31 -3.588 5.705 7.563 1.00 0.00 O ATOM 480 CB THR A 31 -1.647 4.747 5.060 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.806 5.397 4.121 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.059 4.833 4.530 1.00 0.00 C ATOM 0 H THR A 31 0.367 4.377 6.425 1.00 0.00 H new ATOM 0 HA THR A 31 -1.487 6.447 6.339 1.00 0.00 H new ATOM 0 HB THR A 31 -1.385 3.696 5.179 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.096 5.018 4.172 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.105 4.378 3.541 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.733 4.305 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.359 5.879 4.462 1.00 0.00 H new ATOM 490 N MET A 32 -2.480 3.775 8.001 1.00 0.00 N ATOM 491 CA MET A 32 -3.476 3.252 8.938 1.00 0.00 C ATOM 492 C MET A 32 -3.734 4.225 10.083 1.00 0.00 C ATOM 493 O MET A 32 -4.860 4.636 10.303 1.00 0.00 O ATOM 494 CB MET A 32 -3.014 1.928 9.555 1.00 0.00 C ATOM 495 CG MET A 32 -2.770 0.803 8.570 1.00 0.00 C ATOM 496 SD MET A 32 -4.000 0.713 7.267 1.00 0.00 S ATOM 497 CE MET A 32 -3.768 -0.979 6.740 1.00 0.00 C ATOM 0 H MET A 32 -1.678 3.160 7.862 1.00 0.00 H new ATOM 0 HA MET A 32 -4.389 3.105 8.361 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.094 2.107 10.111 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.764 1.601 10.276 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.785 0.931 8.121 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.753 -0.144 9.109 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.397 -0.993 5.715 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.046 -1.468 7.394 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.719 -1.509 6.789 1.00 0.00 H new ATOM 507 N GLN A 33 -2.682 4.583 10.816 1.00 0.00 N ATOM 508 CA GLN A 33 -2.818 5.500 11.950 1.00 0.00 C ATOM 509 C GLN A 33 -3.586 6.763 11.555 1.00 0.00 C ATOM 510 O GLN A 33 -4.410 7.266 12.323 1.00 0.00 O ATOM 511 CB GLN A 33 -1.445 5.850 12.534 1.00 0.00 C ATOM 512 CG GLN A 33 -0.758 7.039 11.867 1.00 0.00 C ATOM 513 CD GLN A 33 0.752 6.999 11.997 1.00 0.00 C ATOM 514 OE1 GLN A 33 1.465 6.725 11.031 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.252 7.282 13.190 1.00 0.00 N ATOM 0 H GLN A 33 -1.731 4.256 10.648 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.396 4.993 12.723 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.560 6.062 13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.796 4.978 12.451 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.026 7.061 10.811 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.131 7.963 12.310 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.627 7.504 13.965 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.262 7.278 13.334 1.00 0.00 H new ATOM 524 N ASN A 34 -3.330 7.252 10.344 1.00 0.00 N ATOM 525 CA ASN A 34 -4.011 8.440 9.836 1.00 0.00 C ATOM 526 C ASN A 34 -5.478 8.133 9.554 1.00 0.00 C ATOM 527 O ASN A 34 -6.376 8.829 10.040 1.00 0.00 O ATOM 528 CB ASN A 34 -3.321 8.924 8.556 1.00 0.00 C ATOM 529 CG ASN A 34 -2.616 10.255 8.702 1.00 0.00 C ATOM 530 OD1 ASN A 34 -3.048 11.135 9.451 1.00 0.00 O ATOM 531 ND2 ASN A 34 -1.529 10.414 7.960 1.00 0.00 N ATOM 0 H ASN A 34 -2.656 6.844 9.696 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.960 9.225 10.591 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.596 8.173 8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.064 9.003 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.012 11.293 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.209 9.658 7.355 1.00 0.00 H new ATOM 538 N GLU A 35 -5.713 7.066 8.792 1.00 0.00 N ATOM 539 CA GLU A 35 -7.072 6.646 8.477 1.00 0.00 C ATOM 540 C GLU A 35 -7.767 6.115 9.732 1.00 0.00 C ATOM 541 O GLU A 35 -8.977 6.127 9.815 1.00 0.00 O ATOM 542 CB GLU A 35 -7.073 5.584 7.372 1.00 0.00 C ATOM 543 CG GLU A 35 -8.472 5.200 6.901 1.00 0.00 C ATOM 544 CD GLU A 35 -9.023 6.140 5.849 1.00 0.00 C ATOM 545 OE1 GLU A 35 -8.804 5.874 4.648 1.00 0.00 O ATOM 546 OE2 GLU A 35 -9.688 7.139 6.219 1.00 0.00 O ATOM 0 H GLU A 35 -4.983 6.481 8.385 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.623 7.513 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.501 5.955 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.563 4.692 7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.448 4.187 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.146 5.187 7.757 1.00 0.00 H new ATOM 553 N ALA A 36 -6.985 5.673 10.712 1.00 0.00 N ATOM 554 CA ALA A 36 -7.516 5.162 11.970 1.00 0.00 C ATOM 555 C ALA A 36 -7.910 6.306 12.891 1.00 0.00 C ATOM 556 O ALA A 36 -8.999 6.297 13.468 1.00 0.00 O ATOM 557 CB ALA A 36 -6.483 4.278 12.643 1.00 0.00 C ATOM 0 H ALA A 36 -5.967 5.659 10.656 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.408 4.572 11.758 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.885 3.899 13.583 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.239 3.441 11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.582 4.858 12.842 1.00 0.00 H new ATOM 563 N ARG A 37 -7.030 7.305 13.012 1.00 0.00 N ATOM 564 CA ARG A 37 -7.326 8.460 13.847 1.00 0.00 C ATOM 565 C ARG A 37 -8.521 9.198 13.300 1.00 0.00 C ATOM 566 O ARG A 37 -9.456 9.550 14.022 1.00 0.00 O ATOM 567 CB ARG A 37 -6.174 9.445 13.846 1.00 0.00 C ATOM 568 CG ARG A 37 -5.418 9.523 15.160 1.00 0.00 C ATOM 569 CD ARG A 37 -6.349 9.835 16.320 1.00 0.00 C ATOM 570 NE ARG A 37 -5.754 10.786 17.263 1.00 0.00 N ATOM 571 CZ ARG A 37 -6.422 11.378 18.246 1.00 0.00 C ATOM 572 NH1 ARG A 37 -7.706 11.131 18.425 1.00 0.00 N ATOM 573 NH2 ARG A 37 -5.803 12.221 19.047 1.00 0.00 N ATOM 0 H ARG A 37 -6.122 7.333 12.548 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.509 8.088 14.855 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.477 9.170 13.055 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.558 10.435 13.602 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.909 8.577 15.345 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.648 10.292 15.093 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.283 10.243 15.935 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.597 8.912 16.844 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.764 11.007 17.157 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.192 10.482 17.806 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.213 11.589 19.182 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.811 12.418 18.912 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.315 12.676 19.802 1.00 0.00 H new ATOM 587 N ARG A 38 -8.423 9.473 12.010 1.00 0.00 N ATOM 588 CA ARG A 38 -9.430 10.224 11.307 1.00 0.00 C ATOM 589 C ARG A 38 -10.620 9.362 10.830 1.00 0.00 C ATOM 590 O ARG A 38 -11.772 9.733 11.043 1.00 0.00 O ATOM 591 CB ARG A 38 -8.781 10.942 10.120 1.00 0.00 C ATOM 592 CG ARG A 38 -9.721 11.867 9.369 1.00 0.00 C ATOM 593 CD ARG A 38 -9.605 11.673 7.867 1.00 0.00 C ATOM 594 NE ARG A 38 -9.111 12.880 7.198 1.00 0.00 N ATOM 595 CZ ARG A 38 -9.535 13.319 6.016 1.00 0.00 C ATOM 596 NH1 ARG A 38 -10.476 12.681 5.343 1.00 0.00 N ATOM 597 NH2 ARG A 38 -9.019 14.421 5.519 1.00 0.00 N ATOM 0 H ARG A 38 -7.640 9.178 11.427 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.847 10.945 12.010 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.930 11.520 10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.391 10.197 9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.748 11.679 9.684 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.495 12.903 9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.932 10.841 7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.579 11.404 7.459 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.390 13.423 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.893 11.833 5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.786 13.036 4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.303 14.928 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.335 14.769 4.614 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.836 -9.719 -10.496 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.714 -9.301 -9.094 1.00 0.00 C ATOM 1186 C LYS B 102 -3.313 -9.535 -8.531 1.00 0.00 C ATOM 1187 O LYS B 102 -2.807 -10.663 -8.516 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.753 -10.008 -8.207 1.00 0.00 C ATOM 1189 CG LYS B 102 -5.416 -11.455 -7.856 1.00 0.00 C ATOM 1190 CD LYS B 102 -5.578 -12.389 -9.048 1.00 0.00 C ATOM 1191 CE LYS B 102 -4.352 -13.269 -9.237 1.00 0.00 C ATOM 1192 NZ LYS B 102 -4.586 -14.333 -10.258 1.00 0.00 N ATOM 0 HA LYS B 102 -4.903 -8.228 -9.082 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.867 -9.442 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.718 -9.987 -8.714 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -4.390 -11.509 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.061 -11.790 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.458 -13.016 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -5.749 -11.802 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -3.506 -12.653 -9.541 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -4.085 -13.730 -8.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -3.728 -14.912 -10.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -5.377 -14.936 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -4.816 -13.893 -11.172 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.704 -8.462 -8.047 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.380 -8.543 -7.455 1.00 0.00 C ATOM 1208 C GLN B 103 -1.499 -8.559 -5.944 1.00 0.00 C ATOM 1209 O GLN B 103 -1.920 -7.577 -5.335 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.491 -7.377 -7.909 1.00 0.00 C ATOM 1211 CG GLN B 103 0.833 -7.305 -7.156 1.00 0.00 C ATOM 1212 CD GLN B 103 2.000 -6.878 -8.025 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.840 -6.135 -8.992 1.00 0.00 O ATOM 1214 NE2 GLN B 103 3.189 -7.331 -7.668 1.00 0.00 N ATOM 0 H GLN B 103 -3.107 -7.525 -8.053 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.909 -9.466 -7.792 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.290 -7.475 -8.976 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.032 -6.441 -7.771 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.733 -6.605 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN B 103 1.050 -8.282 -6.724 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.279 -7.946 -6.859 1.00 0.00 H new ATOM 0 HE22 GLN B 103 4.017 -7.066 -8.201 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.138 -9.678 -5.340 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.233 -9.800 -3.902 1.00 0.00 C ATOM 1225 C ARG B 104 -0.071 -9.090 -3.227 1.00 0.00 C ATOM 1226 O ARG B 104 1.038 -9.621 -3.139 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.263 -11.266 -3.478 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.965 -11.487 -2.150 1.00 0.00 C ATOM 1229 CD ARG B 104 -2.601 -12.861 -2.088 1.00 0.00 C ATOM 1230 NE ARG B 104 -4.026 -12.807 -2.424 1.00 0.00 N ATOM 1231 CZ ARG B 104 -4.658 -13.690 -3.188 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.028 -14.731 -3.678 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -5.929 -13.524 -3.461 1.00 0.00 N ATOM 0 H ARG B 104 -0.781 -10.504 -5.819 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.165 -9.330 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.764 -11.851 -4.249 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.241 -11.639 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.250 -11.377 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.729 -10.723 -2.008 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -2.088 -13.532 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -2.477 -13.276 -1.088 1.00 0.00 H new ATOM 0 HE ARG B 104 -4.573 -12.035 -2.043 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -3.039 -14.871 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -4.528 -15.400 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -6.430 -12.718 -3.087 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -6.417 -14.201 -4.048 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.349 -7.896 -2.726 1.00 0.00 N ATOM 1248 CA ILE B 105 0.644 -7.104 -2.020 1.00 0.00 C ATOM 1249 C ILE B 105 0.412 -7.288 -0.540 1.00 0.00 C ATOM 1250 O ILE B 105 -0.676 -7.019 -0.044 1.00 0.00 O ATOM 1251 CB ILE B 105 0.571 -5.613 -2.417 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.278 -4.798 -1.435 1.00 0.00 C ATOM 1253 CG2 ILE B 105 0.001 -5.494 -3.819 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.164 -3.309 -1.643 1.00 0.00 C ATOM 0 H ILE B 105 -1.264 -7.452 -2.797 1.00 0.00 H new ATOM 0 HA ILE B 105 1.645 -7.442 -2.289 1.00 0.00 H new ATOM 0 HB ILE B 105 1.582 -5.206 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.322 -5.093 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.024 -5.040 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.052 -4.443 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE B 105 0.644 -6.027 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -0.999 -5.927 -3.843 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -0.789 -2.791 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.874 -3.002 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -0.494 -3.056 -2.651 1.00 0.00 H new ATOM 1266 N THR B 106 1.399 -7.824 0.149 1.00 0.00 N ATOM 1267 CA THR B 106 1.249 -8.121 1.563 1.00 0.00 C ATOM 1268 C THR B 106 2.306 -7.438 2.426 1.00 0.00 C ATOM 1269 O THR B 106 3.503 -7.684 2.282 1.00 0.00 O ATOM 1270 CB THR B 106 1.257 -9.660 1.752 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.366 -10.106 2.517 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.277 -10.435 0.446 1.00 0.00 C ATOM 0 H THR B 106 2.310 -8.063 -0.243 1.00 0.00 H new ATOM 0 HA THR B 106 0.296 -7.716 1.903 1.00 0.00 H new ATOM 0 HB THR B 106 0.322 -9.859 2.276 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.813 -10.841 2.048 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.282 -11.504 0.657 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.392 -10.185 -0.139 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.172 -10.173 -0.119 1.00 0.00 H new ATOM 1280 N VAL B 107 1.831 -6.656 3.388 1.00 0.00 N ATOM 1281 CA VAL B 107 2.697 -5.998 4.371 1.00 0.00 C ATOM 1282 C VAL B 107 2.640 -6.815 5.657 1.00 0.00 C ATOM 1283 O VAL B 107 1.646 -6.751 6.386 1.00 0.00 O ATOM 1284 CB VAL B 107 2.311 -4.498 4.669 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.868 -4.189 4.304 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.556 -4.124 6.139 1.00 0.00 C ATOM 0 H VAL B 107 0.838 -6.458 3.512 1.00 0.00 H new ATOM 0 HA VAL B 107 3.703 -5.959 3.954 1.00 0.00 H new ATOM 0 HB VAL B 107 2.963 -3.895 4.038 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.652 -3.144 4.528 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.715 -4.371 3.240 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.201 -4.829 4.882 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.277 -3.083 6.301 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.954 -4.765 6.783 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.611 -4.258 6.378 1.00 0.00 H new ATOM 1296 N THR B 108 3.678 -7.602 5.935 1.00 0.00 N ATOM 1297 CA THR B 108 3.688 -8.417 7.139 1.00 0.00 C ATOM 1298 C THR B 108 3.834 -7.523 8.365 1.00 0.00 C ATOM 1299 O THR B 108 4.864 -7.515 9.040 1.00 0.00 O ATOM 1300 CB THR B 108 4.799 -9.454 7.072 1.00 0.00 C ATOM 1301 OG1 THR B 108 6.060 -8.844 6.882 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.608 -10.471 5.984 1.00 0.00 C ATOM 0 H THR B 108 4.509 -7.690 5.350 1.00 0.00 H new ATOM 0 HA THR B 108 2.743 -8.954 7.217 1.00 0.00 H new ATOM 0 HB THR B 108 4.758 -9.968 8.032 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.249 -8.243 7.633 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.438 -11.178 5.997 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.673 -11.007 6.147 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.574 -9.968 5.018 1.00 0.00 H new ATOM 1310 N VAL B 109 2.781 -6.749 8.601 1.00 0.00 N ATOM 1311 CA VAL B 109 2.707 -5.790 9.695 1.00 0.00 C ATOM 1312 C VAL B 109 2.601 -6.493 11.071 1.00 0.00 C ATOM 1313 O VAL B 109 3.435 -7.341 11.357 1.00 0.00 O ATOM 1314 CB VAL B 109 1.554 -4.801 9.402 1.00 0.00 C ATOM 1315 CG1 VAL B 109 0.228 -5.529 9.273 1.00 0.00 C ATOM 1316 CG2 VAL B 109 1.491 -3.663 10.413 1.00 0.00 C ATOM 0 H VAL B 109 1.939 -6.772 8.026 1.00 0.00 H new ATOM 0 HA VAL B 109 3.632 -5.217 9.758 1.00 0.00 H new ATOM 0 HB VAL B 109 1.766 -4.335 8.440 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -0.564 -4.809 9.067 1.00 0.00 H new ATOM 0 HG12 VAL B 109 0.286 -6.248 8.456 1.00 0.00 H new ATOM 0 HG13 VAL B 109 0.009 -6.053 10.203 1.00 0.00 H new ATOM 0 HG21 VAL B 109 0.665 -2.998 10.161 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.337 -4.072 11.412 1.00 0.00 H new ATOM 0 HG23 VAL B 109 2.426 -3.104 10.390 1.00 0.00 H new ATOM 1326 N ASP B 110 1.649 -6.111 11.951 1.00 0.00 N ATOM 1327 CA ASP B 110 1.552 -6.692 13.314 1.00 0.00 C ATOM 1328 C ASP B 110 2.497 -5.939 14.264 1.00 0.00 C ATOM 1329 O ASP B 110 2.497 -6.143 15.478 1.00 0.00 O ATOM 1330 CB ASP B 110 1.884 -8.184 13.322 1.00 0.00 C ATOM 1331 CG ASP B 110 1.711 -8.834 14.679 1.00 0.00 C ATOM 1332 OD1 ASP B 110 0.680 -8.583 15.338 1.00 0.00 O ATOM 1333 OD2 ASP B 110 2.614 -9.606 15.076 1.00 0.00 O ATOM 0 H ASP B 110 0.940 -5.407 11.746 1.00 0.00 H new ATOM 0 HA ASP B 110 0.522 -6.583 13.652 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.246 -8.694 12.600 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.913 -8.321 12.991 1.00 0.00 H new ATOM 1338 N SER B 111 3.268 -5.031 13.677 1.00 0.00 N ATOM 1339 CA SER B 111 4.196 -4.184 14.407 1.00 0.00 C ATOM 1340 C SER B 111 3.924 -2.734 14.038 1.00 0.00 C ATOM 1341 O SER B 111 3.523 -1.939 14.885 1.00 0.00 O ATOM 1342 CB SER B 111 5.648 -4.565 14.098 1.00 0.00 C ATOM 1343 OG SER B 111 6.207 -5.332 15.154 1.00 0.00 O ATOM 0 H SER B 111 3.264 -4.863 12.671 1.00 0.00 H new ATOM 0 HA SER B 111 4.049 -4.322 15.478 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.689 -5.134 13.169 1.00 0.00 H new ATOM 0 HB3 SER B 111 6.240 -3.663 13.946 1.00 0.00 H new ATOM 0 HG SER B 111 7.133 -5.565 14.934 1.00 0.00 H new ATOM 1349 N ASP B 112 4.151 -2.405 12.764 1.00 0.00 N ATOM 1350 CA ASP B 112 3.944 -1.052 12.244 1.00 0.00 C ATOM 1351 C ASP B 112 2.672 -0.390 12.823 1.00 0.00 C ATOM 1352 O ASP B 112 2.760 0.366 13.794 1.00 0.00 O ATOM 1353 CB ASP B 112 3.898 -1.099 10.714 1.00 0.00 C ATOM 1354 CG ASP B 112 4.882 -2.084 10.115 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.631 -3.304 10.219 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.900 -1.638 9.549 1.00 0.00 O ATOM 0 H ASP B 112 4.483 -3.069 12.065 1.00 0.00 H new ATOM 0 HA ASP B 112 4.782 -0.431 12.562 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.890 -1.364 10.396 1.00 0.00 H new ATOM 0 HB3 ASP B 112 4.105 -0.104 10.320 1.00 0.00 H new ATOM 1361 N SER B 113 1.493 -0.654 12.230 1.00 0.00 N ATOM 1362 CA SER B 113 0.228 -0.065 12.709 1.00 0.00 C ATOM 1363 C SER B 113 -0.942 -0.434 11.777 1.00 0.00 C ATOM 1364 O SER B 113 -1.765 0.408 11.427 1.00 0.00 O ATOM 1365 CB SER B 113 0.354 1.461 12.808 1.00 0.00 C ATOM 1366 OG SER B 113 0.157 1.902 14.141 1.00 0.00 O ATOM 0 H SER B 113 1.390 -1.268 11.422 1.00 0.00 H new ATOM 0 HA SER B 113 0.022 -0.472 13.699 1.00 0.00 H new ATOM 0 HB2 SER B 113 1.339 1.771 12.460 1.00 0.00 H new ATOM 0 HB3 SER B 113 -0.378 1.933 12.153 1.00 0.00 H new ATOM 0 HG SER B 113 0.244 2.877 14.179 1.00 0.00 H new ATOM 1372 N TYR B 114 -0.997 -1.703 11.381 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.048 -2.208 10.484 1.00 0.00 C ATOM 1374 C TYR B 114 -3.340 -2.578 11.210 1.00 0.00 C ATOM 1375 O TYR B 114 -4.434 -2.307 10.715 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.551 -3.433 9.741 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.618 -4.479 9.519 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.460 -4.411 8.423 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.782 -5.531 10.411 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.430 -5.363 8.210 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -3.748 -6.489 10.210 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.571 -6.409 9.106 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.540 -7.367 8.908 1.00 0.00 O ATOM 0 H TYR B 114 -0.321 -2.411 11.667 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.275 -1.392 9.797 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.150 -3.124 8.776 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.728 -3.878 10.300 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.354 -3.596 7.722 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -2.140 -5.598 11.277 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -5.078 -5.295 7.349 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.862 -7.300 10.914 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.762 -7.416 7.955 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.207 -3.278 12.336 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.375 -3.774 13.066 1.00 0.00 C ATOM 1395 C GLN B 115 -5.436 -2.693 13.287 1.00 0.00 C ATOM 1396 O GLN B 115 -6.615 -2.984 13.184 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.964 -4.403 14.404 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.640 -5.162 14.367 1.00 0.00 C ATOM 1399 CD GLN B 115 -1.506 -4.406 15.034 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -1.658 -3.882 16.132 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -0.362 -4.344 14.373 1.00 0.00 N ATOM 0 H GLN B 115 -2.310 -3.514 12.761 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.826 -4.543 12.439 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -3.896 -3.616 15.155 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.750 -5.085 14.727 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -2.766 -6.126 14.860 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.373 -5.366 13.330 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -0.275 -4.793 13.461 1.00 0.00 H new ATOM 0 HE22 GLN B 115 0.433 -3.847 14.775 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.039 -1.458 13.578 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.018 -0.377 13.790 1.00 0.00 C ATOM 1412 C LEU B 116 -7.049 -0.306 12.644 1.00 0.00 C ATOM 1413 O LEU B 116 -8.253 -0.378 12.867 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.287 0.967 13.904 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.230 1.566 15.308 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.023 2.478 15.449 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -6.508 2.328 15.605 1.00 0.00 C ATOM 0 H LEU B 116 -4.064 -1.175 13.673 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.556 -0.591 14.714 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.267 0.838 13.541 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.773 1.683 13.242 1.00 0.00 H new ATOM 0 HG LEU B 116 -5.133 0.754 16.029 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -3.998 2.896 16.455 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -3.112 1.906 15.271 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.091 3.287 14.722 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -6.455 2.750 16.609 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -6.629 3.132 14.879 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -7.359 1.650 15.541 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.541 -0.151 11.426 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.422 -0.047 10.248 1.00 0.00 C ATOM 1431 C LEU B 117 -8.320 -1.273 10.094 1.00 0.00 C ATOM 1432 O LEU B 117 -9.533 -1.151 9.905 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.647 0.182 8.963 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.825 1.581 8.373 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -8.234 1.755 7.837 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -6.538 2.637 9.423 1.00 0.00 C ATOM 0 H LEU B 117 -5.543 -0.094 11.221 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.050 0.826 10.427 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.588 0.011 9.154 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.961 -0.556 8.225 1.00 0.00 H new ATOM 0 HG LEU B 117 -6.119 1.699 7.551 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -8.344 2.756 7.421 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.421 1.016 7.058 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -8.951 1.618 8.647 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.669 3.628 8.988 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.226 2.514 10.260 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.513 2.529 9.777 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.722 -2.448 10.181 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.460 -3.702 10.051 1.00 0.00 C ATOM 1450 C LYS B 118 -9.300 -3.980 11.290 1.00 0.00 C ATOM 1451 O LYS B 118 -10.326 -4.657 11.223 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.490 -4.848 9.808 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.595 -5.093 10.999 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.703 -6.530 11.489 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.572 -6.619 12.999 1.00 0.00 C ATOM 1456 NZ LYS B 118 -7.242 -7.840 13.544 1.00 0.00 N ATOM 0 H LYS B 118 -6.722 -2.565 10.342 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.136 -3.613 9.201 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.050 -5.756 9.583 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -6.878 -4.626 8.934 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.561 -4.876 10.730 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -6.865 -4.411 11.805 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.661 -6.948 11.181 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.926 -7.134 11.020 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.517 -6.631 13.272 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -7.009 -5.731 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -7.131 -7.865 14.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -8.254 -7.816 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.808 -8.689 13.128 1.00 0.00 H new ATOM 1470 N ALA B 119 -8.857 -3.435 12.413 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.556 -3.589 13.685 1.00 0.00 C ATOM 1472 C ALA B 119 -10.991 -3.110 13.547 1.00 0.00 C ATOM 1473 O ALA B 119 -11.882 -3.560 14.268 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.844 -2.831 14.796 1.00 0.00 C ATOM 0 H ALA B 119 -8.006 -2.875 12.471 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.558 -4.646 13.952 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.386 -2.963 15.732 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.830 -3.215 14.907 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.805 -1.771 14.546 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.203 -2.211 12.588 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.517 -1.683 12.311 1.00 0.00 C ATOM 1482 C TYR B 120 -13.199 -2.605 11.307 1.00 0.00 C ATOM 1483 O TYR B 120 -14.306 -3.071 11.571 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.430 -0.250 11.761 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.515 0.676 12.532 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -10.956 0.303 13.752 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -11.185 1.924 12.023 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -10.098 1.146 14.430 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.336 2.755 12.696 1.00 0.00 C ATOM 1490 CZ TYR B 120 -9.790 2.372 13.892 1.00 0.00 C ATOM 1491 OH TYR B 120 -8.947 3.226 14.561 1.00 0.00 O ATOM 0 H TYR B 120 -10.467 -1.836 11.990 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.098 -1.640 13.232 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.090 -0.294 10.726 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -13.431 0.180 11.749 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -11.198 -0.661 14.174 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -11.606 2.243 11.081 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -9.672 0.844 15.376 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -10.093 3.722 12.282 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.018 4.124 14.175 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.494 -2.892 10.179 1.00 0.00 N ATOM 1502 CA ASP B 121 -12.996 -3.806 9.126 1.00 0.00 C ATOM 1503 C ASP B 121 -12.580 -3.352 7.722 1.00 0.00 C ATOM 1504 O ASP B 121 -13.409 -3.279 6.813 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.529 -3.951 9.169 1.00 0.00 C ATOM 1506 CG ASP B 121 -14.988 -5.268 9.775 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -14.139 -6.017 10.310 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.201 -5.554 9.702 1.00 0.00 O ATOM 0 H ASP B 121 -11.574 -2.500 9.979 1.00 0.00 H new ATOM 0 HA ASP B 121 -12.541 -4.774 9.336 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -14.950 -3.127 9.745 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -14.924 -3.867 8.157 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.303 -3.034 7.535 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.836 -2.582 6.231 1.00 0.00 C ATOM 1515 C VAL B 122 -9.363 -2.935 5.967 1.00 0.00 C ATOM 1516 O VAL B 122 -8.454 -2.137 6.215 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.086 -1.064 6.081 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.083 -0.242 6.871 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.083 -0.656 4.616 1.00 0.00 C ATOM 0 H VAL B 122 -10.584 -3.080 8.257 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.411 -3.116 5.474 1.00 0.00 H new ATOM 0 HB VAL B 122 -12.073 -0.858 6.495 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.296 0.819 6.737 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -10.157 -0.496 7.928 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.075 -0.458 6.515 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.261 0.416 4.537 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -10.117 -0.897 4.173 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -11.869 -1.194 4.087 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.125 -4.150 5.464 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.759 -4.600 5.170 1.00 0.00 C ATOM 1531 C ASN B 123 -7.146 -3.825 3.999 1.00 0.00 C ATOM 1532 O ASN B 123 -6.749 -4.419 2.998 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.707 -6.094 4.861 1.00 0.00 C ATOM 1534 CG ASN B 123 -7.704 -6.955 6.107 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -6.683 -7.088 6.784 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -8.845 -7.551 6.418 1.00 0.00 N ATOM 0 H ASN B 123 -9.851 -4.834 5.253 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.176 -4.405 6.070 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.564 -6.362 4.243 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.813 -6.308 4.276 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -8.901 -8.146 7.245 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -9.668 -7.415 5.831 1.00 0.00 H new ATOM 1543 N ILE B 124 -7.064 -2.507 4.168 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.491 -1.549 3.225 1.00 0.00 C ATOM 1545 C ILE B 124 -6.709 -1.773 1.711 1.00 0.00 C ATOM 1546 O ILE B 124 -6.186 -0.991 0.919 1.00 0.00 O ATOM 1547 CB ILE B 124 -5.007 -1.351 3.496 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.451 -2.479 4.336 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.742 -0.013 4.160 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.304 -3.712 3.525 1.00 0.00 C ATOM 0 H ILE B 124 -7.414 -2.054 5.012 1.00 0.00 H new ATOM 0 HA ILE B 124 -7.080 -0.656 3.433 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.496 -1.358 2.533 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.484 -2.190 4.747 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -5.112 -2.670 5.181 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -3.673 0.098 4.340 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -5.086 0.791 3.509 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -5.277 0.035 5.109 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -3.903 -4.511 4.148 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.278 -4.010 3.135 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -3.624 -3.522 2.695 1.00 0.00 H new ATOM 1562 N SER B 125 -7.431 -2.811 1.298 1.00 0.00 N ATOM 1563 CA SER B 125 -7.644 -3.079 -0.136 1.00 0.00 C ATOM 1564 C SER B 125 -7.832 -1.762 -0.904 1.00 0.00 C ATOM 1565 O SER B 125 -7.008 -1.413 -1.763 1.00 0.00 O ATOM 1566 CB SER B 125 -8.858 -4.004 -0.328 1.00 0.00 C ATOM 1567 OG SER B 125 -9.916 -3.365 -1.032 1.00 0.00 O ATOM 0 H SER B 125 -7.879 -3.480 1.924 1.00 0.00 H new ATOM 0 HA SER B 125 -6.763 -3.582 -0.535 1.00 0.00 H new ATOM 0 HB2 SER B 125 -8.550 -4.897 -0.872 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.219 -4.333 0.646 1.00 0.00 H new ATOM 0 HG SER B 125 -10.665 -3.989 -1.133 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.884 -1.019 -0.569 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.125 0.260 -1.213 1.00 0.00 C ATOM 1575 C GLY B 126 -8.323 1.382 -0.577 1.00 0.00 C ATOM 1576 O GLY B 126 -7.926 2.319 -1.255 1.00 0.00 O ATOM 0 H GLY B 126 -9.573 -1.280 0.136 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.869 0.187 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.187 0.498 -1.158 1.00 0.00 H new ATOM 1580 N LEU B 127 -8.080 1.279 0.733 1.00 0.00 N ATOM 1581 CA LEU B 127 -7.330 2.276 1.474 1.00 0.00 C ATOM 1582 C LEU B 127 -5.883 2.396 0.970 1.00 0.00 C ATOM 1583 O LEU B 127 -5.474 3.454 0.488 1.00 0.00 O ATOM 1584 CB LEU B 127 -7.351 1.864 2.944 1.00 0.00 C ATOM 1585 CG LEU B 127 -7.180 2.979 3.960 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -6.476 2.429 5.182 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.409 4.136 3.357 1.00 0.00 C ATOM 0 H LEU B 127 -8.402 0.497 1.303 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.788 3.255 1.336 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -8.297 1.361 3.144 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -6.560 1.131 3.105 1.00 0.00 H new ATOM 0 HG LEU B 127 -8.158 3.359 4.255 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -6.349 3.224 5.917 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -7.073 1.626 5.615 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -5.499 2.041 4.895 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.297 4.925 4.100 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.424 3.792 3.042 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -6.951 4.524 2.495 1.00 0.00 H new ATOM 1599 N VAL B 128 -5.122 1.304 1.083 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.727 1.268 0.637 1.00 0.00 C ATOM 1601 C VAL B 128 -3.604 1.745 -0.807 1.00 0.00 C ATOM 1602 O VAL B 128 -3.003 2.784 -1.086 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.156 -0.164 0.790 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.145 -0.516 -0.291 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.527 -0.294 2.150 1.00 0.00 C ATOM 0 H VAL B 128 -5.453 0.426 1.483 1.00 0.00 H new ATOM 0 HA VAL B 128 -3.147 1.945 1.264 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.983 -0.866 0.680 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.780 -1.531 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.621 -0.451 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.308 0.181 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.121 -1.299 2.269 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.724 0.436 2.251 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.279 -0.113 2.918 1.00 0.00 H new ATOM 1615 N SER B 129 -4.201 0.981 -1.706 1.00 0.00 N ATOM 1616 CA SER B 129 -4.216 1.284 -3.119 1.00 0.00 C ATOM 1617 C SER B 129 -4.669 2.729 -3.389 1.00 0.00 C ATOM 1618 O SER B 129 -4.063 3.426 -4.207 1.00 0.00 O ATOM 1619 CB SER B 129 -5.158 0.296 -3.788 1.00 0.00 C ATOM 1620 OG SER B 129 -6.472 0.433 -3.269 1.00 0.00 O ATOM 0 H SER B 129 -4.695 0.121 -1.467 1.00 0.00 H new ATOM 0 HA SER B 129 -3.208 1.195 -3.523 1.00 0.00 H new ATOM 0 HB2 SER B 129 -5.167 0.465 -4.865 1.00 0.00 H new ATOM 0 HB3 SER B 129 -4.801 -0.721 -3.627 1.00 0.00 H new ATOM 0 HG SER B 129 -6.507 0.058 -2.364 1.00 0.00 H new ATOM 1626 N THR B 130 -5.698 3.199 -2.666 1.00 0.00 N ATOM 1627 CA THR B 130 -6.169 4.574 -2.825 1.00 0.00 C ATOM 1628 C THR B 130 -5.078 5.496 -2.359 1.00 0.00 C ATOM 1629 O THR B 130 -4.654 6.400 -3.084 1.00 0.00 O ATOM 1630 CB THR B 130 -7.443 4.833 -2.018 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.552 4.217 -2.635 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.774 6.301 -1.846 1.00 0.00 C ATOM 0 H THR B 130 -6.211 2.651 -1.975 1.00 0.00 H new ATOM 0 HA THR B 130 -6.408 4.749 -3.874 1.00 0.00 H new ATOM 0 HB THR B 130 -7.244 4.412 -1.032 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.737 3.360 -2.196 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.690 6.402 -1.264 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.956 6.800 -1.326 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.914 6.759 -2.825 1.00 0.00 H new ATOM 1640 N THR B 131 -4.597 5.236 -1.147 1.00 0.00 N ATOM 1641 CA THR B 131 -3.519 6.017 -0.594 1.00 0.00 C ATOM 1642 C THR B 131 -2.360 6.033 -1.588 1.00 0.00 C ATOM 1643 O THR B 131 -1.692 7.054 -1.782 1.00 0.00 O ATOM 1644 CB THR B 131 -3.072 5.460 0.765 1.00 0.00 C ATOM 1645 OG1 THR B 131 -3.702 6.161 1.822 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.580 5.547 1.002 1.00 0.00 C ATOM 0 H THR B 131 -4.941 4.493 -0.539 1.00 0.00 H new ATOM 0 HA THR B 131 -3.864 7.037 -0.424 1.00 0.00 H new ATOM 0 HB THR B 131 -3.359 4.409 0.745 1.00 0.00 H new ATOM 0 HG1 THR B 131 -3.021 6.579 2.389 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.343 5.134 1.982 1.00 0.00 H new ATOM 0 HG22 THR B 131 -1.056 4.980 0.233 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.265 6.590 0.962 1.00 0.00 H new ATOM 1654 N MET B 132 -2.149 4.882 -2.229 1.00 0.00 N ATOM 1655 CA MET B 132 -1.100 4.726 -3.214 1.00 0.00 C ATOM 1656 C MET B 132 -1.244 5.716 -4.361 1.00 0.00 C ATOM 1657 O MET B 132 -0.322 6.468 -4.624 1.00 0.00 O ATOM 1658 CB MET B 132 -1.062 3.282 -3.712 1.00 0.00 C ATOM 1659 CG MET B 132 -0.347 2.399 -2.712 1.00 0.00 C ATOM 1660 SD MET B 132 -0.936 0.714 -2.662 1.00 0.00 S ATOM 1661 CE MET B 132 0.462 0.000 -1.823 1.00 0.00 C ATOM 0 H MET B 132 -2.703 4.040 -2.074 1.00 0.00 H new ATOM 0 HA MET B 132 -0.147 4.950 -2.735 1.00 0.00 H new ATOM 0 HB2 MET B 132 -2.077 2.917 -3.868 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.555 3.236 -4.676 1.00 0.00 H new ATOM 0 HG2 MET B 132 0.717 2.392 -2.947 1.00 0.00 H new ATOM 0 HG3 MET B 132 -0.451 2.837 -1.719 1.00 0.00 H new ATOM 0 HE1 MET B 132 0.112 -0.641 -1.014 1.00 0.00 H new ATOM 0 HE2 MET B 132 1.046 -0.592 -2.528 1.00 0.00 H new ATOM 0 HE3 MET B 132 1.085 0.795 -1.413 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.391 5.740 -5.029 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.598 6.682 -6.135 1.00 0.00 C ATOM 1673 C GLN B 133 -2.237 8.110 -5.718 1.00 0.00 C ATOM 1674 O GLN B 133 -1.629 8.852 -6.492 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.044 6.606 -6.635 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.638 7.933 -7.104 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.778 8.410 -6.223 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.483 9.318 -5.305 1.00 0.00 O flip ATOM 1679 NE2 GLN B 133 -6.915 7.973 -6.372 1.00 0.00 N flip ATOM 0 H GLN B 133 -3.185 5.130 -4.833 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.935 6.400 -6.953 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.090 5.894 -7.459 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.668 6.209 -5.835 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.855 8.691 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -4.997 7.824 -8.128 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -7.103 7.274 -7.091 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -7.673 8.309 -5.777 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.594 8.484 -4.491 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.287 9.820 -3.978 1.00 0.00 C ATOM 1690 C ASN B 134 -0.788 9.984 -3.762 1.00 0.00 C ATOM 1691 O ASN B 134 -0.176 10.921 -4.282 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.033 10.067 -2.663 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.281 10.905 -2.829 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.437 11.627 -3.810 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.185 10.807 -1.866 1.00 0.00 N ATOM 0 H ASN B 134 -3.094 7.884 -3.835 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.614 10.552 -4.717 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.304 9.108 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.362 10.562 -1.961 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.051 11.344 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -5.016 10.195 -1.068 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.196 9.049 -3.025 1.00 0.00 N ATOM 1703 CA GLU B 135 1.239 9.079 -2.775 1.00 0.00 C ATOM 1704 C GLU B 135 2.007 8.789 -4.067 1.00 0.00 C ATOM 1705 O GLU B 135 3.170 9.164 -4.207 1.00 0.00 O ATOM 1706 CB GLU B 135 1.612 8.069 -1.689 1.00 0.00 C ATOM 1707 CG GLU B 135 2.986 8.311 -1.081 1.00 0.00 C ATOM 1708 CD GLU B 135 3.104 9.657 -0.399 1.00 0.00 C ATOM 1709 OE1 GLU B 135 2.157 10.051 0.316 1.00 0.00 O ATOM 1710 OE2 GLU B 135 4.149 10.313 -0.569 1.00 0.00 O ATOM 0 H GLU B 135 -0.686 8.265 -2.593 1.00 0.00 H new ATOM 0 HA GLU B 135 1.513 10.075 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU B 135 0.862 8.104 -0.898 1.00 0.00 H new ATOM 0 HB3 GLU B 135 1.582 7.065 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.201 7.524 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU B 135 3.741 8.239 -1.864 1.00 0.00 H new ATOM 1717 N ALA B 136 1.333 8.136 -5.017 1.00 0.00 N ATOM 1718 CA ALA B 136 1.911 7.803 -6.308 1.00 0.00 C ATOM 1719 C ALA B 136 1.879 9.012 -7.232 1.00 0.00 C ATOM 1720 O ALA B 136 2.878 9.336 -7.875 1.00 0.00 O ATOM 1721 CB ALA B 136 1.138 6.647 -6.928 1.00 0.00 C ATOM 0 H ALA B 136 0.368 7.825 -4.906 1.00 0.00 H new ATOM 0 HA ALA B 136 2.950 7.507 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.572 6.397 -7.896 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.193 5.779 -6.271 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.096 6.936 -7.061 1.00 0.00 H new ATOM 1727 N ARG B 137 0.722 9.680 -7.285 1.00 0.00 N ATOM 1728 CA ARG B 137 0.565 10.864 -8.117 1.00 0.00 C ATOM 1729 C ARG B 137 1.533 11.933 -7.692 1.00 0.00 C ATOM 1730 O ARG B 137 2.282 12.483 -8.500 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.825 11.449 -7.981 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.632 11.419 -9.263 1.00 0.00 C ATOM 1733 CD ARG B 137 -0.954 12.220 -10.363 1.00 0.00 C ATOM 1734 NE ARG B 137 -1.294 11.719 -11.696 1.00 0.00 N ATOM 1735 CZ ARG B 137 -0.583 11.963 -12.793 1.00 0.00 C ATOM 1736 NH1 ARG B 137 0.534 12.663 -12.729 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -0.993 11.500 -13.959 1.00 0.00 N ATOM 0 H ARG B 137 -0.113 9.417 -6.761 1.00 0.00 H new ATOM 0 HA ARG B 137 0.746 10.554 -9.146 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.366 10.900 -7.210 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.742 12.481 -7.639 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -1.762 10.387 -9.589 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.628 11.822 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -1.248 13.267 -10.283 1.00 0.00 H new ATOM 0 HD3 ARG B 137 0.127 12.181 -10.226 1.00 0.00 H new ATOM 0 HE ARG B 137 -2.132 11.145 -11.789 1.00 0.00 H new ATOM 0 HH11 ARG B 137 0.860 13.023 -11.832 1.00 0.00 H new ATOM 0 HH12 ARG B 137 1.072 12.844 -13.577 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -1.854 10.956 -14.018 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -0.449 11.686 -14.801 1.00 0.00 H new ATOM 1751 N ARG B 138 1.483 12.234 -6.404 1.00 0.00 N ATOM 1752 CA ARG B 138 2.330 13.255 -5.843 1.00 0.00 C ATOM 1753 C ARG B 138 3.791 12.790 -5.780 1.00 0.00 C ATOM 1754 O ARG B 138 4.681 13.488 -6.263 1.00 0.00 O ATOM 1755 CB ARG B 138 1.833 13.664 -4.455 1.00 0.00 C ATOM 1756 CG ARG B 138 2.484 14.934 -3.927 1.00 0.00 C ATOM 1757 CD ARG B 138 1.470 16.054 -3.734 1.00 0.00 C ATOM 1758 NE ARG B 138 1.448 16.985 -4.868 1.00 0.00 N ATOM 1759 CZ ARG B 138 0.643 18.045 -4.957 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -0.217 18.322 -3.992 1.00 0.00 N ATOM 1761 NH2 ARG B 138 0.707 18.830 -6.014 1.00 0.00 N ATOM 0 H ARG B 138 0.862 11.781 -5.733 1.00 0.00 H new ATOM 0 HA ARG B 138 2.284 14.126 -6.497 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.753 13.807 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.023 12.850 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG B 138 2.976 14.722 -2.978 1.00 0.00 H new ATOM 0 HG3 ARG B 138 3.258 15.261 -4.621 1.00 0.00 H new ATOM 0 HD2 ARG B 138 0.477 15.624 -3.600 1.00 0.00 H new ATOM 0 HD3 ARG B 138 1.706 16.602 -2.821 1.00 0.00 H new ATOM 0 HE ARG B 138 2.091 16.810 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -0.270 17.723 -3.168 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -0.828 19.135 -4.071 1.00 0.00 H new ATOM 0 HH21 ARG B 138 1.371 18.626 -6.761 1.00 0.00 H new ATOM 0 HH22 ARG B 138 0.093 19.641 -6.085 1.00 0.00 H new