USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 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: A 31 THR OG1 : rot -154:sc= 0.358 USER MOD Set 1.2: B 131 THR OG1 : rot 120:sc= 0.336 USER MOD Set 2.1: A 3 GLN : amide:sc= -0.646 X(o=-0.65,f=-1) USER MOD Set 2.2: B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: B 114 TYR OH : rot 148:sc= 0.24! USER MOD Set 3.2: B 123 ASN : amide:sc= -2.41! C(o=-2.2!,f=-9!) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -156:sc= 0.337! (180deg=-0.321) USER MOD Set 4.2: B 111 SER OG : rot -125:sc= 0.946 USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.0918 USER MOD Single : A 8 THR OG1 : rot 52:sc= 0.053 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 38:sc= 1.26 USER MOD Single : A 14 TYR OH : rot 180:sc= -2.33! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -168:sc= 0.311! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -142:sc= -20.8! (180deg=-24!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.1) USER MOD Single : B 102 LYS NZ :NH3+ -138:sc= 0.628 (180deg=-1.77!) USER MOD Single : B 103 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1) USER MOD Single : B 106 THR OG1 : rot -149:sc= -2.13! USER MOD Single : B 108 THR OG1 : rot 43:sc= 0.545 USER MOD Single : B 113 SER OG : rot -51:sc= -0.207 USER MOD Single : B 115 GLN :FLIP amide:sc= -0.168 F(o=-0.85,f=-0.17) USER MOD Single : B 120 TYR OH : rot 165:sc= -1.32 USER MOD Single : B 125 SER OG : rot 180:sc=-0.00684 USER MOD Single : B 129 SER OG : rot -110:sc= 0.701 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 174:sc= -10.8! (180deg=-10.9!) USER MOD Single : B 133 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 134 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 3.307 -11.555 13.056 1.00 0.00 N ATOM 21 CA LYS A 2 3.249 -10.860 11.768 1.00 0.00 C ATOM 22 C LYS A 2 1.912 -11.125 11.069 1.00 0.00 C ATOM 23 O LYS A 2 1.600 -12.258 10.702 1.00 0.00 O ATOM 24 CB LYS A 2 4.426 -11.252 10.862 1.00 0.00 C ATOM 25 CG LYS A 2 5.761 -10.674 11.316 1.00 0.00 C ATOM 26 CD LYS A 2 6.071 -9.355 10.618 1.00 0.00 C ATOM 27 CE LYS A 2 5.558 -8.161 11.410 1.00 0.00 C ATOM 28 NZ LYS A 2 6.555 -7.688 12.415 1.00 0.00 N ATOM 0 HA LYS A 2 3.328 -9.791 11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.502 -12.339 10.828 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.220 -10.915 9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.742 -10.519 12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.556 -11.390 11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.148 -9.262 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.619 -9.354 9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.319 -7.347 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.632 -8.433 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.064 -7.182 13.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.063 -8.505 12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.234 -7.047 11.956 1.00 0.00 H new ATOM 42 N GLN A 3 1.122 -10.066 10.903 1.00 0.00 N ATOM 43 CA GLN A 3 -0.190 -10.173 10.266 1.00 0.00 C ATOM 44 C GLN A 3 -0.120 -9.830 8.795 1.00 0.00 C ATOM 45 O GLN A 3 0.017 -8.669 8.416 1.00 0.00 O ATOM 46 CB GLN A 3 -1.230 -9.275 10.970 1.00 0.00 C ATOM 47 CG GLN A 3 -2.497 -9.047 10.147 1.00 0.00 C ATOM 48 CD GLN A 3 -3.775 -9.269 10.935 1.00 0.00 C ATOM 49 OE1 GLN A 3 -3.963 -8.711 12.015 1.00 0.00 O ATOM 50 NE2 GLN A 3 -4.674 -10.071 10.387 1.00 0.00 N ATOM 0 H GLN A 3 1.368 -9.122 11.201 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.508 -11.211 10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.502 -9.727 11.923 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.773 -8.311 11.194 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.491 -8.029 9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.488 -9.716 9.287 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.481 -10.516 9.489 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.560 -10.244 10.862 1.00 0.00 H new ATOM 59 N ARG A 4 -0.218 -10.848 7.966 1.00 0.00 N ATOM 60 CA ARG A 4 -0.153 -10.640 6.538 1.00 0.00 C ATOM 61 C ARG A 4 -1.470 -10.128 5.984 1.00 0.00 C ATOM 62 O ARG A 4 -2.396 -10.893 5.720 1.00 0.00 O ATOM 63 CB ARG A 4 0.251 -11.918 5.822 1.00 0.00 C ATOM 64 CG ARG A 4 1.197 -11.657 4.673 1.00 0.00 C ATOM 65 CD ARG A 4 1.846 -12.934 4.184 1.00 0.00 C ATOM 66 NE ARG A 4 3.283 -12.761 3.955 1.00 0.00 N ATOM 67 CZ ARG A 4 4.232 -13.066 4.833 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.925 -13.519 6.032 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.496 -12.894 4.510 1.00 0.00 N ATOM 0 H ARG A 4 -0.342 -11.819 8.254 1.00 0.00 H new ATOM 0 HA ARG A 4 0.607 -9.879 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 4 0.724 -12.596 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.641 -12.420 5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.654 -11.187 3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.968 -10.954 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.687 -13.726 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.366 -13.254 3.259 1.00 0.00 H new ATOM 0 HE ARG A 4 3.576 -12.379 3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.947 -13.640 6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.665 -13.749 6.695 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.742 -12.528 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.230 -13.126 5.180 1.00 0.00 H new ATOM 83 N ILE A 5 -1.516 -8.824 5.770 1.00 0.00 N ATOM 84 CA ILE A 5 -2.677 -8.178 5.193 1.00 0.00 C ATOM 85 C ILE A 5 -2.343 -7.888 3.744 1.00 0.00 C ATOM 86 O ILE A 5 -1.446 -7.092 3.442 1.00 0.00 O ATOM 87 CB ILE A 5 -3.091 -6.900 5.978 1.00 0.00 C ATOM 88 CG1 ILE A 5 -2.892 -5.607 5.169 1.00 0.00 C ATOM 89 CG2 ILE A 5 -2.345 -6.841 7.308 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.539 -4.942 5.347 1.00 0.00 C ATOM 0 H ILE A 5 -0.751 -8.187 5.991 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.548 -8.831 5.255 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.162 -6.970 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.033 -5.832 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.669 -4.897 5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.640 -5.943 7.851 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.590 -7.722 7.902 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.271 -6.816 7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.494 -4.039 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.398 -4.679 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.752 -5.629 5.036 1.00 0.00 H new ATOM 102 N THR A 6 -2.992 -8.607 2.847 1.00 0.00 N ATOM 103 CA THR A 6 -2.678 -8.474 1.440 1.00 0.00 C ATOM 104 C THR A 6 -3.846 -7.937 0.610 1.00 0.00 C ATOM 105 O THR A 6 -4.911 -8.545 0.557 1.00 0.00 O ATOM 106 CB THR A 6 -2.150 -9.828 0.886 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.983 -10.353 -0.136 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.992 -10.927 1.931 1.00 0.00 C ATOM 0 H THR A 6 -3.728 -9.279 3.064 1.00 0.00 H new ATOM 0 HA THR A 6 -1.892 -7.724 1.350 1.00 0.00 H new ATOM 0 HB THR A 6 -1.165 -9.564 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.935 -11.332 -0.127 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.619 -11.833 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.286 -10.603 2.696 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.958 -11.132 2.393 1.00 0.00 H new ATOM 116 N VAL A 7 -3.607 -6.824 -0.104 1.00 0.00 N ATOM 117 CA VAL A 7 -4.605 -6.243 -1.005 1.00 0.00 C ATOM 118 C VAL A 7 -4.249 -6.671 -2.424 1.00 0.00 C ATOM 119 O VAL A 7 -3.280 -6.178 -3.000 1.00 0.00 O ATOM 120 CB VAL A 7 -4.711 -4.672 -0.910 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.570 -4.080 -0.088 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.771 -3.988 -2.295 1.00 0.00 C ATOM 0 H VAL A 7 -2.726 -6.310 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.587 -6.612 -0.709 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.655 -4.471 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.677 -2.996 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.600 -4.488 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.617 -4.332 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.843 -2.908 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.868 -4.226 -2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.644 -4.347 -2.840 1.00 0.00 H new ATOM 132 N THR A 8 -5.006 -7.607 -2.979 1.00 0.00 N ATOM 133 CA THR A 8 -4.736 -8.090 -4.325 1.00 0.00 C ATOM 134 C THR A 8 -5.071 -6.997 -5.343 1.00 0.00 C ATOM 135 O THR A 8 -6.211 -6.876 -5.794 1.00 0.00 O ATOM 136 CB THR A 8 -5.528 -9.372 -4.587 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.817 -9.307 -4.000 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.842 -10.606 -4.039 1.00 0.00 C ATOM 0 H THR A 8 -5.806 -8.044 -2.522 1.00 0.00 H new ATOM 0 HA THR A 8 -3.677 -8.329 -4.427 1.00 0.00 H new ATOM 0 HB THR A 8 -5.599 -9.451 -5.672 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.266 -8.484 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.449 -11.485 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.864 -10.717 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.719 -10.505 -2.961 1.00 0.00 H new ATOM 146 N VAL A 9 -4.066 -6.174 -5.657 1.00 0.00 N ATOM 147 CA VAL A 9 -4.238 -5.048 -6.578 1.00 0.00 C ATOM 148 C VAL A 9 -4.251 -5.483 -8.054 1.00 0.00 C ATOM 149 O VAL A 9 -5.097 -6.296 -8.436 1.00 0.00 O ATOM 150 CB VAL A 9 -3.171 -3.954 -6.329 1.00 0.00 C ATOM 151 CG1 VAL A 9 -3.534 -2.666 -7.055 1.00 0.00 C ATOM 152 CG2 VAL A 9 -3.030 -3.682 -4.843 1.00 0.00 C ATOM 0 H VAL A 9 -3.121 -6.268 -5.285 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.220 -4.624 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.220 -4.317 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.769 -1.913 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.596 -2.857 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.497 -2.304 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.276 -2.911 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.986 -3.343 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.727 -4.596 -4.333 1.00 0.00 H new ATOM 162 N ASP A 10 -3.371 -4.896 -8.896 1.00 0.00 N ATOM 163 CA ASP A 10 -3.333 -5.181 -10.342 1.00 0.00 C ATOM 164 C ASP A 10 -4.326 -4.278 -11.090 1.00 0.00 C ATOM 165 O ASP A 10 -4.367 -4.254 -12.321 1.00 0.00 O ATOM 166 CB ASP A 10 -3.633 -6.650 -10.624 1.00 0.00 C ATOM 167 CG ASP A 10 -3.412 -7.033 -12.077 1.00 0.00 C ATOM 168 OD1 ASP A 10 -2.304 -6.781 -12.598 1.00 0.00 O ATOM 169 OD2 ASP A 10 -4.349 -7.586 -12.689 1.00 0.00 O ATOM 0 H ASP A 10 -2.673 -4.217 -8.592 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.326 -4.970 -10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.001 -7.272 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.667 -6.863 -10.351 1.00 0.00 H new ATOM 174 N SER A 11 -5.097 -3.510 -10.323 1.00 0.00 N ATOM 175 CA SER A 11 -6.069 -2.573 -10.883 1.00 0.00 C ATOM 176 C SER A 11 -6.176 -1.308 -10.032 1.00 0.00 C ATOM 177 O SER A 11 -6.106 -0.205 -10.567 1.00 0.00 O ATOM 178 CB SER A 11 -7.449 -3.225 -11.024 1.00 0.00 C ATOM 179 OG SER A 11 -8.292 -2.465 -11.883 1.00 0.00 O ATOM 0 H SER A 11 -5.067 -3.519 -9.303 1.00 0.00 H new ATOM 0 HA SER A 11 -5.712 -2.294 -11.874 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.338 -4.235 -11.419 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.913 -3.316 -10.042 1.00 0.00 H new ATOM 0 HG SER A 11 -9.165 -2.904 -11.957 1.00 0.00 H new ATOM 185 N ASP A 12 -6.395 -1.472 -8.719 1.00 0.00 N ATOM 186 CA ASP A 12 -6.567 -0.342 -7.809 1.00 0.00 C ATOM 187 C ASP A 12 -5.525 0.787 -8.039 1.00 0.00 C ATOM 188 O ASP A 12 -5.774 1.696 -8.841 1.00 0.00 O ATOM 189 CB ASP A 12 -6.570 -0.865 -6.369 1.00 0.00 C ATOM 190 CG ASP A 12 -7.265 -2.212 -6.234 1.00 0.00 C ATOM 191 OD1 ASP A 12 -6.726 -3.216 -6.752 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.351 -2.260 -5.627 1.00 0.00 O ATOM 0 H ASP A 12 -6.457 -2.384 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.527 0.132 -8.015 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.542 -0.954 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.065 -0.139 -5.724 1.00 0.00 H new ATOM 197 N SER A 13 -4.372 0.758 -7.350 1.00 0.00 N ATOM 198 CA SER A 13 -3.332 1.801 -7.521 1.00 0.00 C ATOM 199 C SER A 13 -2.140 1.557 -6.576 1.00 0.00 C ATOM 200 O SER A 13 -1.496 2.490 -6.097 1.00 0.00 O ATOM 201 CB SER A 13 -3.921 3.193 -7.272 1.00 0.00 C ATOM 202 OG SER A 13 -4.410 3.753 -8.477 1.00 0.00 O ATOM 0 H SER A 13 -4.132 0.033 -6.674 1.00 0.00 H new ATOM 0 HA SER A 13 -2.972 1.747 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.728 3.127 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.159 3.845 -6.845 1.00 0.00 H new ATOM 0 HG SER A 13 -4.832 3.052 -9.016 1.00 0.00 H new ATOM 208 N TYR A 14 -1.858 0.279 -6.344 1.00 0.00 N ATOM 209 CA TYR A 14 -0.756 -0.163 -5.486 1.00 0.00 C ATOM 210 C TYR A 14 0.577 -0.208 -6.240 1.00 0.00 C ATOM 211 O TYR A 14 1.616 0.219 -5.725 1.00 0.00 O ATOM 212 CB TYR A 14 -1.091 -1.535 -4.942 1.00 0.00 C ATOM 213 CG TYR A 14 0.031 -2.537 -5.018 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.996 -2.585 -4.035 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.093 -3.457 -6.050 1.00 0.00 C ATOM 216 CE1 TYR A 14 1.999 -3.528 -4.067 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.095 -4.399 -6.103 1.00 0.00 C ATOM 218 CZ TYR A 14 2.046 -4.437 -5.108 1.00 0.00 C ATOM 219 OH TYR A 14 3.036 -5.391 -5.150 1.00 0.00 O ATOM 0 H TYR A 14 -2.392 -0.490 -6.749 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.639 0.554 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.398 -1.432 -3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.948 -1.928 -5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.965 -1.871 -3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.657 -3.435 -6.827 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.743 -3.557 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.135 -5.104 -6.920 1.00 0.00 H new ATOM 0 HH TYR A 14 2.920 -5.948 -5.948 1.00 0.00 H new ATOM 229 N GLN A 15 0.532 -0.789 -7.444 1.00 0.00 N ATOM 230 CA GLN A 15 1.723 -0.977 -8.272 1.00 0.00 C ATOM 231 C GLN A 15 2.572 0.287 -8.391 1.00 0.00 C ATOM 232 O GLN A 15 3.788 0.202 -8.319 1.00 0.00 O ATOM 233 CB GLN A 15 1.323 -1.460 -9.675 1.00 0.00 C ATOM 234 CG GLN A 15 -0.088 -1.060 -10.094 1.00 0.00 C ATOM 235 CD GLN A 15 -0.222 -0.842 -11.586 1.00 0.00 C ATOM 236 OE1 GLN A 15 -0.137 0.284 -12.067 1.00 0.00 O ATOM 237 NE2 GLN A 15 -0.437 -1.918 -12.328 1.00 0.00 N ATOM 0 H GLN A 15 -0.327 -1.140 -7.868 1.00 0.00 H new ATOM 0 HA GLN A 15 2.332 -1.731 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.032 -1.061 -10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.407 -2.546 -9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.788 -1.835 -9.781 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.371 -0.146 -9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.501 -2.836 -11.888 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -0.538 -1.828 -13.339 1.00 0.00 H new ATOM 246 N LEU A 16 1.956 1.452 -8.574 1.00 0.00 N ATOM 247 CA LEU A 16 2.733 2.687 -8.705 1.00 0.00 C ATOM 248 C LEU A 16 3.580 2.964 -7.454 1.00 0.00 C ATOM 249 O LEU A 16 4.800 3.104 -7.550 1.00 0.00 O ATOM 250 CB LEU A 16 1.806 3.876 -8.976 1.00 0.00 C ATOM 251 CG LEU A 16 1.924 4.489 -10.373 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.791 5.471 -10.620 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.267 5.179 -10.540 1.00 0.00 C ATOM 0 H LEU A 16 0.945 1.570 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 16 3.411 2.555 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.776 3.555 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.011 4.651 -8.238 1.00 0.00 H new ATOM 0 HG LEU A 16 1.854 3.687 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.890 5.898 -11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.164 4.952 -10.541 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.833 6.269 -9.879 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.333 5.609 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.364 5.971 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.069 4.453 -10.404 1.00 0.00 H new ATOM 265 N LEU A 17 2.930 3.068 -6.291 1.00 0.00 N ATOM 266 CA LEU A 17 3.685 3.368 -5.067 1.00 0.00 C ATOM 267 C LEU A 17 4.721 2.303 -4.775 1.00 0.00 C ATOM 268 O LEU A 17 5.812 2.598 -4.278 1.00 0.00 O ATOM 269 CB LEU A 17 2.816 3.551 -3.845 1.00 0.00 C ATOM 270 CG LEU A 17 2.998 4.904 -3.152 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.911 5.153 -2.133 1.00 0.00 C ATOM 272 CD2 LEU A 17 4.355 4.972 -2.481 1.00 0.00 C ATOM 0 H LEU A 17 1.924 2.955 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 17 4.175 4.320 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.771 3.440 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.036 2.756 -3.132 1.00 0.00 H new ATOM 0 HG LEU A 17 2.932 5.679 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.071 6.122 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.940 5.146 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.937 4.370 -1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.471 5.939 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.434 4.178 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.138 4.847 -3.229 1.00 0.00 H new ATOM 284 N LYS A 18 4.379 1.065 -5.079 1.00 0.00 N ATOM 285 CA LYS A 18 5.280 -0.039 -4.837 1.00 0.00 C ATOM 286 C LYS A 18 6.348 -0.155 -5.917 1.00 0.00 C ATOM 287 O LYS A 18 7.470 -0.592 -5.664 1.00 0.00 O ATOM 288 CB LYS A 18 4.502 -1.336 -4.716 1.00 0.00 C ATOM 289 CG LYS A 18 4.143 -1.912 -6.061 1.00 0.00 C ATOM 290 CD LYS A 18 4.677 -3.318 -6.213 1.00 0.00 C ATOM 291 CE LYS A 18 4.229 -3.952 -7.519 1.00 0.00 C ATOM 292 NZ LYS A 18 5.132 -5.062 -7.934 1.00 0.00 N ATOM 0 H LYS A 18 3.485 0.802 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 18 5.794 0.158 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.094 -2.062 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.591 -1.159 -4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.060 -1.917 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.548 -1.279 -6.851 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.766 -3.300 -6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.337 -3.929 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.213 -4.332 -7.409 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.203 -3.193 -8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.793 -5.469 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.096 -4.695 -8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.138 -5.798 -7.199 1.00 0.00 H new ATOM 306 N ALA A 19 5.974 0.220 -7.125 1.00 0.00 N ATOM 307 CA ALA A 19 6.873 0.153 -8.264 1.00 0.00 C ATOM 308 C ALA A 19 7.794 1.363 -8.312 1.00 0.00 C ATOM 309 O ALA A 19 8.820 1.336 -8.994 1.00 0.00 O ATOM 310 CB ALA A 19 6.099 0.016 -9.568 1.00 0.00 C ATOM 0 H ALA A 19 5.045 0.578 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 19 7.491 -0.737 -8.141 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.798 -0.032 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.502 -0.895 -9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.442 0.877 -9.694 1.00 0.00 H new ATOM 316 N TYR A 20 7.441 2.420 -7.581 1.00 0.00 N ATOM 317 CA TYR A 20 8.269 3.601 -7.563 1.00 0.00 C ATOM 318 C TYR A 20 9.334 3.483 -6.472 1.00 0.00 C ATOM 319 O TYR A 20 10.453 3.942 -6.688 1.00 0.00 O ATOM 320 CB TYR A 20 7.420 4.895 -7.489 1.00 0.00 C ATOM 321 CG TYR A 20 7.237 5.539 -6.126 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.311 5.797 -5.285 1.00 0.00 C ATOM 323 CD2 TYR A 20 5.970 5.913 -5.697 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.126 6.401 -4.059 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.780 6.518 -4.475 1.00 0.00 C ATOM 326 CZ TYR A 20 6.859 6.760 -3.655 1.00 0.00 C ATOM 327 OH TYR A 20 6.670 7.361 -2.430 1.00 0.00 O ATOM 0 H TYR A 20 6.600 2.473 -7.006 1.00 0.00 H new ATOM 0 HA TYR A 20 8.806 3.678 -8.508 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.874 5.633 -8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.432 4.672 -7.890 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.308 5.520 -5.596 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.118 5.726 -6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.973 6.592 -3.417 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.787 6.802 -4.160 1.00 0.00 H new ATOM 0 HH TYR A 20 5.777 7.762 -2.397 1.00 0.00 H new ATOM 337 N ASP A 21 9.032 2.817 -5.329 1.00 0.00 N ATOM 338 CA ASP A 21 10.086 2.638 -4.293 1.00 0.00 C ATOM 339 C ASP A 21 9.583 2.027 -2.987 1.00 0.00 C ATOM 340 O ASP A 21 10.367 1.507 -2.193 1.00 0.00 O ATOM 341 CB ASP A 21 10.789 3.967 -3.974 1.00 0.00 C ATOM 342 CG ASP A 21 12.251 3.986 -4.384 1.00 0.00 C ATOM 343 OD1 ASP A 21 12.885 2.908 -4.403 1.00 0.00 O ATOM 344 OD2 ASP A 21 12.767 5.086 -4.677 1.00 0.00 O ATOM 0 H ASP A 21 8.122 2.415 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 21 10.787 1.931 -4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.266 4.778 -4.481 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.716 4.161 -2.904 1.00 0.00 H new ATOM 349 N VAL A 22 8.293 2.096 -2.769 1.00 0.00 N ATOM 350 CA VAL A 22 7.672 1.569 -1.569 1.00 0.00 C ATOM 351 C VAL A 22 7.110 0.174 -1.836 1.00 0.00 C ATOM 352 O VAL A 22 7.198 -0.345 -2.940 1.00 0.00 O ATOM 353 CB VAL A 22 6.545 2.553 -1.162 1.00 0.00 C ATOM 354 CG1 VAL A 22 5.955 2.260 0.212 1.00 0.00 C ATOM 355 CG2 VAL A 22 7.064 3.976 -1.180 1.00 0.00 C ATOM 0 H VAL A 22 7.635 2.522 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 22 8.399 1.477 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 22 5.748 2.422 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.172 2.985 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.532 1.256 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.738 2.329 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.264 4.659 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.892 4.070 -0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.410 4.224 -2.183 1.00 0.00 H new ATOM 365 N ASN A 23 6.522 -0.407 -0.821 1.00 0.00 N ATOM 366 CA ASN A 23 5.882 -1.709 -0.898 1.00 0.00 C ATOM 367 C ASN A 23 4.946 -1.792 0.280 1.00 0.00 C ATOM 368 O ASN A 23 4.918 -2.776 1.014 1.00 0.00 O ATOM 369 CB ASN A 23 6.864 -2.866 -0.867 1.00 0.00 C ATOM 370 CG ASN A 23 7.947 -2.775 -1.925 1.00 0.00 C ATOM 371 OD1 ASN A 23 9.065 -2.354 -1.645 1.00 0.00 O ATOM 372 ND2 ASN A 23 7.625 -3.172 -3.148 1.00 0.00 N ATOM 0 H ASN A 23 6.470 0.016 0.106 1.00 0.00 H new ATOM 0 HA ASN A 23 5.362 -1.797 -1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.332 -2.908 0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.317 -3.799 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.318 -3.133 -3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.684 -3.516 -3.341 1.00 0.00 H new ATOM 379 N ILE A 24 4.245 -0.679 0.466 1.00 0.00 N ATOM 380 CA ILE A 24 3.310 -0.429 1.532 1.00 0.00 C ATOM 381 C ILE A 24 3.786 -0.795 2.938 1.00 0.00 C ATOM 382 O ILE A 24 3.054 -0.535 3.893 1.00 0.00 O ATOM 383 CB ILE A 24 1.945 -1.022 1.257 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.995 -1.902 0.042 1.00 0.00 C ATOM 385 CG2 ILE A 24 0.903 0.065 1.107 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.483 -3.236 0.434 1.00 0.00 C ATOM 0 H ILE A 24 4.327 0.115 -0.168 1.00 0.00 H new ATOM 0 HA ILE A 24 3.231 0.658 1.535 1.00 0.00 H new ATOM 0 HB ILE A 24 1.656 -1.636 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.005 -1.981 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.652 -1.467 -0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.069 -0.387 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.852 0.649 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.175 0.717 0.277 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.522 -3.881 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.481 -3.147 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.807 -3.668 1.172 1.00 0.00 H new ATOM 398 N SER A 25 4.978 -1.404 3.088 1.00 0.00 N ATOM 399 CA SER A 25 5.459 -1.792 4.401 1.00 0.00 C ATOM 400 C SER A 25 5.099 -0.713 5.420 1.00 0.00 C ATOM 401 O SER A 25 4.295 -0.930 6.336 1.00 0.00 O ATOM 402 CB SER A 25 6.980 -1.978 4.356 1.00 0.00 C ATOM 403 OG SER A 25 7.573 -1.697 5.616 1.00 0.00 O ATOM 0 H SER A 25 5.609 -1.630 2.319 1.00 0.00 H new ATOM 0 HA SER A 25 4.991 -2.731 4.695 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.215 -3.001 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.406 -1.322 3.597 1.00 0.00 H new ATOM 0 HG SER A 25 8.543 -1.826 5.557 1.00 0.00 H new ATOM 409 N GLY A 26 5.673 0.470 5.215 1.00 0.00 N ATOM 410 CA GLY A 26 5.392 1.595 6.075 1.00 0.00 C ATOM 411 C GLY A 26 4.166 2.364 5.620 1.00 0.00 C ATOM 412 O GLY A 26 3.516 3.012 6.431 1.00 0.00 O ATOM 0 H GLY A 26 6.332 0.665 4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.241 1.243 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.253 2.263 6.092 1.00 0.00 H new ATOM 416 N LEU A 27 3.837 2.290 4.324 1.00 0.00 N ATOM 417 CA LEU A 27 2.680 2.982 3.796 1.00 0.00 C ATOM 418 C LEU A 27 1.413 2.506 4.499 1.00 0.00 C ATOM 419 O LEU A 27 0.767 3.292 5.189 1.00 0.00 O ATOM 420 CB LEU A 27 2.588 2.748 2.291 1.00 0.00 C ATOM 421 CG LEU A 27 2.109 3.926 1.452 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.052 3.448 0.484 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.575 5.038 2.334 1.00 0.00 C ATOM 0 H LEU A 27 4.362 1.756 3.632 1.00 0.00 H new ATOM 0 HA LEU A 27 2.784 4.052 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.572 2.449 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.916 1.908 2.116 1.00 0.00 H new ATOM 0 HG LEU A 27 2.950 4.333 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.705 4.287 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.474 2.683 -0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.213 3.029 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.239 5.867 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.737 4.665 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.364 5.383 3.003 1.00 0.00 H new ATOM 435 N VAL A 28 1.076 1.213 4.369 1.00 0.00 N ATOM 436 CA VAL A 28 -0.095 0.673 5.057 1.00 0.00 C ATOM 437 C VAL A 28 -0.036 1.059 6.545 1.00 0.00 C ATOM 438 O VAL A 28 -0.910 1.741 7.071 1.00 0.00 O ATOM 439 CB VAL A 28 -0.143 -0.865 4.921 1.00 0.00 C ATOM 440 CG1 VAL A 28 -1.061 -1.478 5.964 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.580 -1.265 3.522 1.00 0.00 C ATOM 0 H VAL A 28 1.590 0.537 3.804 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.994 1.090 4.603 1.00 0.00 H new ATOM 0 HB VAL A 28 0.863 -1.249 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.075 -2.561 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.698 -1.228 6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.070 -1.086 5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.608 -2.352 3.446 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.573 -0.862 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.126 -0.868 2.793 1.00 0.00 H new ATOM 451 N SER A 29 1.036 0.623 7.183 1.00 0.00 N ATOM 452 CA SER A 29 1.324 0.870 8.595 1.00 0.00 C ATOM 453 C SER A 29 1.212 2.341 9.031 1.00 0.00 C ATOM 454 O SER A 29 0.534 2.640 10.016 1.00 0.00 O ATOM 455 CB SER A 29 2.750 0.401 8.869 1.00 0.00 C ATOM 456 OG SER A 29 3.347 1.145 9.924 1.00 0.00 O ATOM 0 H SER A 29 1.757 0.068 6.722 1.00 0.00 H new ATOM 0 HA SER A 29 0.571 0.326 9.165 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.743 -0.658 9.127 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.349 0.505 7.964 1.00 0.00 H new ATOM 0 HG SER A 29 4.308 0.955 9.955 1.00 0.00 H new ATOM 462 N THR A 30 1.893 3.252 8.329 1.00 0.00 N ATOM 463 CA THR A 30 1.882 4.664 8.698 1.00 0.00 C ATOM 464 C THR A 30 0.558 5.294 8.334 1.00 0.00 C ATOM 465 O THR A 30 -0.076 5.947 9.168 1.00 0.00 O ATOM 466 CB THR A 30 3.055 5.409 8.035 1.00 0.00 C ATOM 467 OG1 THR A 30 4.179 5.437 8.900 1.00 0.00 O ATOM 468 CG2 THR A 30 2.749 6.845 7.655 1.00 0.00 C ATOM 0 H THR A 30 2.455 3.035 7.506 1.00 0.00 H new ATOM 0 HA THR A 30 2.007 4.742 9.778 1.00 0.00 H new ATOM 0 HB THR A 30 3.253 4.850 7.120 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.916 5.912 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.629 7.295 7.195 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.919 6.865 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.479 7.408 8.548 1.00 0.00 H new ATOM 476 N THR A 31 0.133 5.105 7.090 1.00 0.00 N ATOM 477 CA THR A 31 -1.123 5.674 6.659 1.00 0.00 C ATOM 478 C THR A 31 -2.241 5.242 7.604 1.00 0.00 C ATOM 479 O THR A 31 -3.013 6.072 8.095 1.00 0.00 O ATOM 480 CB THR A 31 -1.447 5.312 5.205 1.00 0.00 C ATOM 481 OG1 THR A 31 -1.157 6.407 4.361 1.00 0.00 O ATOM 482 CG2 THR A 31 -2.893 4.936 4.967 1.00 0.00 C ATOM 0 H THR A 31 0.634 4.572 6.379 1.00 0.00 H new ATOM 0 HA THR A 31 -1.034 6.760 6.696 1.00 0.00 H new ATOM 0 HB THR A 31 -0.831 4.440 4.984 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.717 6.358 3.558 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.038 4.694 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.149 4.069 5.577 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.536 5.773 5.239 1.00 0.00 H new ATOM 490 N MET A 32 -2.301 3.937 7.871 1.00 0.00 N ATOM 491 CA MET A 32 -3.300 3.384 8.770 1.00 0.00 C ATOM 492 C MET A 32 -3.262 4.073 10.124 1.00 0.00 C ATOM 493 O MET A 32 -4.297 4.473 10.636 1.00 0.00 O ATOM 494 CB MET A 32 -3.084 1.889 8.936 1.00 0.00 C ATOM 495 CG MET A 32 -3.546 1.094 7.737 1.00 0.00 C ATOM 496 SD MET A 32 -4.088 -0.549 8.180 1.00 0.00 S ATOM 497 CE MET A 32 -4.203 -1.275 6.573 1.00 0.00 C ATOM 0 H MET A 32 -1.665 3.246 7.473 1.00 0.00 H new ATOM 0 HA MET A 32 -4.283 3.556 8.331 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.025 1.696 9.108 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.618 1.545 9.822 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.363 1.623 7.246 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.732 1.023 7.015 1.00 0.00 H new ATOM 0 HE1 MET A 32 -5.070 -1.935 6.533 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.311 -0.489 5.826 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.300 -1.850 6.368 1.00 0.00 H new ATOM 507 N GLN A 33 -2.067 4.216 10.702 1.00 0.00 N ATOM 508 CA GLN A 33 -1.921 4.871 12.003 1.00 0.00 C ATOM 509 C GLN A 33 -2.550 6.267 11.982 1.00 0.00 C ATOM 510 O GLN A 33 -3.286 6.633 12.899 1.00 0.00 O ATOM 511 CB GLN A 33 -0.441 4.931 12.411 1.00 0.00 C ATOM 512 CG GLN A 33 0.032 6.301 12.897 1.00 0.00 C ATOM 513 CD GLN A 33 1.534 6.371 13.102 1.00 0.00 C ATOM 514 OE1 GLN A 33 2.212 7.194 12.494 1.00 0.00 O ATOM 515 NE2 GLN A 33 2.063 5.514 13.963 1.00 0.00 N ATOM 0 H GLN A 33 -1.192 3.889 10.292 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.452 4.281 12.750 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.266 4.200 13.200 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.169 4.632 11.559 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.266 7.060 12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.469 6.540 13.835 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.466 4.845 14.449 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.067 5.523 14.140 1.00 0.00 H new ATOM 524 N ASN A 34 -2.275 7.032 10.923 1.00 0.00 N ATOM 525 CA ASN A 34 -2.844 8.375 10.780 1.00 0.00 C ATOM 526 C ASN A 34 -4.358 8.286 10.707 1.00 0.00 C ATOM 527 O ASN A 34 -5.069 8.872 11.531 1.00 0.00 O ATOM 528 CB ASN A 34 -2.317 9.047 9.510 1.00 0.00 C ATOM 529 CG ASN A 34 -1.405 10.223 9.777 1.00 0.00 C ATOM 530 OD1 ASN A 34 -1.533 10.920 10.783 1.00 0.00 O ATOM 531 ND2 ASN A 34 -0.475 10.450 8.858 1.00 0.00 N ATOM 0 H ASN A 34 -1.666 6.747 10.156 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.551 8.969 11.645 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.778 8.309 8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.163 9.383 8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.173 11.230 8.970 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.408 9.844 8.040 1.00 0.00 H new ATOM 538 N GLU A 35 -4.843 7.518 9.731 1.00 0.00 N ATOM 539 CA GLU A 35 -6.274 7.313 9.561 1.00 0.00 C ATOM 540 C GLU A 35 -6.863 6.714 10.836 1.00 0.00 C ATOM 541 O GLU A 35 -7.994 7.016 11.209 1.00 0.00 O ATOM 542 CB GLU A 35 -6.545 6.394 8.361 1.00 0.00 C ATOM 543 CG GLU A 35 -7.394 7.039 7.273 1.00 0.00 C ATOM 544 CD GLU A 35 -6.679 8.163 6.546 1.00 0.00 C ATOM 545 OE1 GLU A 35 -5.719 7.868 5.800 1.00 0.00 O ATOM 546 OE2 GLU A 35 -7.080 9.333 6.721 1.00 0.00 O ATOM 0 H GLU A 35 -4.263 7.030 9.049 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.750 8.274 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.593 6.084 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.045 5.491 8.712 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.688 6.277 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.310 7.427 7.718 1.00 0.00 H new ATOM 553 N ALA A 36 -6.074 5.881 11.520 1.00 0.00 N ATOM 554 CA ALA A 36 -6.489 5.252 12.762 1.00 0.00 C ATOM 555 C ALA A 36 -6.575 6.262 13.898 1.00 0.00 C ATOM 556 O ALA A 36 -7.573 6.316 14.618 1.00 0.00 O ATOM 557 CB ALA A 36 -5.504 4.149 13.118 1.00 0.00 C ATOM 0 H ALA A 36 -5.132 5.628 11.223 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.484 4.831 12.620 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.811 3.674 14.050 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.486 3.406 12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.508 4.576 13.239 1.00 0.00 H new ATOM 563 N ARG A 37 -5.525 7.067 14.055 1.00 0.00 N ATOM 564 CA ARG A 37 -5.494 8.078 15.104 1.00 0.00 C ATOM 565 C ARG A 37 -6.633 9.051 14.954 1.00 0.00 C ATOM 566 O ARG A 37 -7.366 9.332 15.904 1.00 0.00 O ATOM 567 CB ARG A 37 -4.217 8.887 15.044 1.00 0.00 C ATOM 568 CG ARG A 37 -3.259 8.611 16.187 1.00 0.00 C ATOM 569 CD ARG A 37 -3.913 8.842 17.544 1.00 0.00 C ATOM 570 NE ARG A 37 -3.652 7.736 18.474 1.00 0.00 N ATOM 571 CZ ARG A 37 -4.366 7.482 19.569 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.403 8.236 19.889 1.00 0.00 N ATOM 573 NH2 ARG A 37 -4.042 6.464 20.343 1.00 0.00 N ATOM 0 H ARG A 37 -4.689 7.037 13.471 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.567 7.541 16.050 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.711 8.679 14.101 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.470 9.947 15.043 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.906 7.582 16.124 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.384 9.254 16.091 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.540 9.772 17.973 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.989 8.960 17.413 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.868 7.118 18.266 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.664 9.023 19.295 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.942 8.031 20.730 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.246 5.873 20.102 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.587 6.268 21.182 1.00 0.00 H new ATOM 587 N ARG A 38 -6.735 9.604 13.757 1.00 0.00 N ATOM 588 CA ARG A 38 -7.749 10.595 13.478 1.00 0.00 C ATOM 589 C ARG A 38 -9.141 9.978 13.236 1.00 0.00 C ATOM 590 O ARG A 38 -10.137 10.691 13.311 1.00 0.00 O ATOM 591 CB ARG A 38 -7.336 11.470 12.293 1.00 0.00 C ATOM 592 CG ARG A 38 -7.763 12.924 12.442 1.00 0.00 C ATOM 593 CD ARG A 38 -6.689 13.762 13.120 1.00 0.00 C ATOM 594 NE ARG A 38 -6.688 13.589 14.580 1.00 0.00 N ATOM 595 CZ ARG A 38 -7.112 14.499 15.458 1.00 0.00 C ATOM 596 NH1 ARG A 38 -7.657 15.634 15.060 1.00 0.00 N ATOM 597 NH2 ARG A 38 -7.006 14.254 16.749 1.00 0.00 N ATOM 0 H ARG A 38 -6.128 9.381 12.968 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.832 11.216 14.370 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.253 11.426 12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.770 11.062 11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.983 13.341 11.459 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.684 12.975 13.023 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.712 13.487 12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.846 14.814 12.881 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.336 12.706 14.950 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.760 15.828 14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.975 16.316 15.749 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.602 13.374 17.070 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.328 14.945 17.427 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.612 -10.902 -11.025 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.330 -9.742 -10.174 1.00 0.00 C ATOM 1186 C LYS B 102 -2.942 -9.839 -9.527 1.00 0.00 C ATOM 1187 O LYS B 102 -2.180 -10.762 -9.814 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.411 -9.608 -9.098 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.697 -8.987 -9.613 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.540 -8.438 -8.476 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.310 -7.199 -8.897 1.00 0.00 C ATOM 1192 NZ LYS B 102 -7.419 -6.012 -9.023 1.00 0.00 N ATOM 0 HA LYS B 102 -4.337 -8.853 -10.805 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.630 -10.594 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.025 -9.001 -8.279 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.461 -8.186 -10.313 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.268 -9.734 -10.164 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.239 -9.203 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.897 -8.197 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.805 -7.385 -9.850 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.092 -6.991 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.890 -5.179 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -6.529 -6.190 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.214 -5.836 -10.027 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.616 -8.882 -8.651 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.327 -8.861 -7.977 1.00 0.00 C ATOM 1208 C GLN B 103 -1.503 -8.828 -6.462 1.00 0.00 C ATOM 1209 O GLN B 103 -2.164 -7.938 -5.926 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.516 -7.651 -8.445 1.00 0.00 C ATOM 1211 CG GLN B 103 0.786 -7.496 -7.697 1.00 0.00 C ATOM 1212 CD GLN B 103 1.766 -8.626 -7.947 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.646 -9.369 -8.918 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.743 -8.763 -7.064 1.00 0.00 N ATOM 0 H GLN B 103 -3.235 -8.112 -8.396 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.788 -9.773 -8.233 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.308 -7.748 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.113 -6.748 -8.318 1.00 0.00 H new ATOM 0 HG2 GLN B 103 1.251 -6.553 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.577 -7.436 -6.629 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.807 -8.125 -6.271 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.432 -9.507 -7.177 1.00 0.00 H new ATOM 1223 N ARG B 104 -0.916 -9.804 -5.771 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.031 -9.873 -4.324 1.00 0.00 C ATOM 1225 C ARG B 104 0.024 -9.030 -3.630 1.00 0.00 C ATOM 1226 O ARG B 104 1.221 -9.311 -3.706 1.00 0.00 O ATOM 1227 CB ARG B 104 -0.923 -11.317 -3.839 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.734 -11.603 -2.581 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.992 -13.093 -2.428 1.00 0.00 C ATOM 1230 NE ARG B 104 -3.222 -13.517 -3.114 1.00 0.00 N ATOM 1231 CZ ARG B 104 -3.270 -13.972 -4.364 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -2.167 -14.123 -5.074 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -4.428 -14.299 -4.896 1.00 0.00 N ATOM 0 H ARG B 104 -0.361 -10.550 -6.190 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.013 -9.475 -4.067 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.256 -11.984 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG B 104 0.124 -11.549 -3.646 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.200 -11.231 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.683 -11.068 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -1.145 -13.650 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -2.065 -13.341 -1.369 1.00 0.00 H new ATOM 0 HE ARG B 104 -4.099 -13.458 -2.596 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -1.262 -13.890 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -2.220 -14.473 -6.031 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -5.285 -14.203 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -4.469 -14.648 -5.854 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.445 -8.028 -2.915 1.00 0.00 N ATOM 1248 CA ILE B 105 0.416 -7.155 -2.139 1.00 0.00 C ATOM 1249 C ILE B 105 0.071 -7.382 -0.690 1.00 0.00 C ATOM 1250 O ILE B 105 -1.097 -7.326 -0.325 1.00 0.00 O ATOM 1251 CB ILE B 105 0.239 -5.670 -2.513 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.580 -4.919 -1.462 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.425 -5.565 -3.872 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.625 -3.426 -1.690 1.00 0.00 C ATOM 0 H ILE B 105 -1.436 -7.794 -2.855 1.00 0.00 H new ATOM 0 HA ILE B 105 1.460 -7.390 -2.344 1.00 0.00 H new ATOM 0 HB ILE B 105 1.225 -5.207 -2.551 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.598 -5.309 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.160 -5.116 -0.476 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.550 -4.515 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE B 105 0.198 -6.055 -4.620 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -1.401 -6.049 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -1.222 -2.956 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.388 -3.023 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -1.073 -3.220 -2.662 1.00 0.00 H new ATOM 1266 N THR B 106 1.055 -7.698 0.118 1.00 0.00 N ATOM 1267 CA THR B 106 0.791 -8.001 1.512 1.00 0.00 C ATOM 1268 C THR B 106 1.718 -7.239 2.458 1.00 0.00 C ATOM 1269 O THR B 106 2.940 -7.370 2.387 1.00 0.00 O ATOM 1270 CB THR B 106 0.889 -9.530 1.724 1.00 0.00 C ATOM 1271 OG1 THR B 106 1.876 -9.861 2.684 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.208 -10.318 0.462 1.00 0.00 C ATOM 0 H THR B 106 2.036 -7.753 -0.157 1.00 0.00 H new ATOM 0 HA THR B 106 -0.218 -7.668 1.754 1.00 0.00 H new ATOM 0 HB THR B 106 -0.108 -9.810 2.065 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.265 -10.734 2.466 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.258 -11.381 0.700 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.427 -10.149 -0.280 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.167 -9.990 0.061 1.00 0.00 H new ATOM 1280 N VAL B 107 1.119 -6.513 3.412 1.00 0.00 N ATOM 1281 CA VAL B 107 1.884 -5.819 4.446 1.00 0.00 C ATOM 1282 C VAL B 107 1.784 -6.637 5.735 1.00 0.00 C ATOM 1283 O VAL B 107 0.771 -6.565 6.432 1.00 0.00 O ATOM 1284 CB VAL B 107 1.418 -4.341 4.677 1.00 0.00 C ATOM 1285 CG1 VAL B 107 1.342 -3.973 6.171 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.343 -3.392 3.945 1.00 0.00 C ATOM 0 H VAL B 107 0.109 -6.394 3.485 1.00 0.00 H new ATOM 0 HA VAL B 107 2.920 -5.742 4.116 1.00 0.00 H new ATOM 0 HB VAL B 107 0.408 -4.250 4.278 1.00 0.00 H new ATOM 0 HG11 VAL B 107 1.014 -2.939 6.275 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.632 -4.631 6.672 1.00 0.00 H new ATOM 0 HG13 VAL B 107 2.326 -4.089 6.625 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.015 -2.366 4.109 1.00 0.00 H new ATOM 0 HG22 VAL B 107 3.359 -3.512 4.321 1.00 0.00 H new ATOM 0 HG23 VAL B 107 2.322 -3.614 2.878 1.00 0.00 H new ATOM 1296 N THR B 108 2.788 -7.452 6.046 1.00 0.00 N ATOM 1297 CA THR B 108 2.721 -8.264 7.248 1.00 0.00 C ATOM 1298 C THR B 108 2.847 -7.397 8.495 1.00 0.00 C ATOM 1299 O THR B 108 3.946 -7.094 8.960 1.00 0.00 O ATOM 1300 CB THR B 108 3.770 -9.369 7.238 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.090 -8.864 7.163 1.00 0.00 O ATOM 1302 CG2 THR B 108 3.588 -10.350 6.127 1.00 0.00 C ATOM 0 H THR B 108 3.638 -7.564 5.494 1.00 0.00 H new ATOM 0 HA THR B 108 1.743 -8.746 7.267 1.00 0.00 H new ATOM 0 HB THR B 108 3.623 -9.881 8.189 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.178 -8.090 7.758 1.00 0.00 H new ATOM 0 HG21 THR B 108 4.369 -11.109 6.180 1.00 0.00 H new ATOM 0 HG22 THR B 108 2.612 -10.827 6.219 1.00 0.00 H new ATOM 0 HG23 THR B 108 3.650 -9.832 5.170 1.00 0.00 H new ATOM 1310 N VAL B 109 1.702 -6.993 9.031 1.00 0.00 N ATOM 1311 CA VAL B 109 1.667 -6.152 10.219 1.00 0.00 C ATOM 1312 C VAL B 109 1.739 -6.995 11.488 1.00 0.00 C ATOM 1313 O VAL B 109 2.539 -7.928 11.542 1.00 0.00 O ATOM 1314 CB VAL B 109 0.432 -5.237 10.241 1.00 0.00 C ATOM 1315 CG1 VAL B 109 0.712 -4.003 11.086 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.048 -4.837 8.830 1.00 0.00 C ATOM 0 H VAL B 109 0.783 -7.235 8.660 1.00 0.00 H new ATOM 0 HA VAL B 109 2.547 -5.509 10.182 1.00 0.00 H new ATOM 0 HB VAL B 109 -0.402 -5.782 10.684 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -0.169 -3.361 11.095 1.00 0.00 H new ATOM 0 HG12 VAL B 109 0.951 -4.307 12.105 1.00 0.00 H new ATOM 0 HG13 VAL B 109 1.555 -3.456 10.663 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.828 -4.189 8.861 1.00 0.00 H new ATOM 0 HG22 VAL B 109 0.877 -4.304 8.365 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -0.181 -5.730 8.248 1.00 0.00 H new ATOM 1326 N ASP B 110 0.983 -6.625 12.540 1.00 0.00 N ATOM 1327 CA ASP B 110 1.048 -7.308 13.838 1.00 0.00 C ATOM 1328 C ASP B 110 2.104 -6.583 14.686 1.00 0.00 C ATOM 1329 O ASP B 110 2.227 -6.804 15.892 1.00 0.00 O ATOM 1330 CB ASP B 110 1.357 -8.807 13.678 1.00 0.00 C ATOM 1331 CG ASP B 110 1.211 -9.607 14.964 1.00 0.00 C ATOM 1332 OD1 ASP B 110 0.223 -9.394 15.696 1.00 0.00 O ATOM 1333 OD2 ASP B 110 2.085 -10.469 15.223 1.00 0.00 O ATOM 0 H ASP B 110 0.318 -5.852 12.511 1.00 0.00 H new ATOM 0 HA ASP B 110 0.080 -7.266 14.338 1.00 0.00 H new ATOM 0 HB2 ASP B 110 0.692 -9.227 12.923 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.375 -8.920 13.305 1.00 0.00 H new ATOM 1338 N SER B 111 2.841 -5.677 14.017 1.00 0.00 N ATOM 1339 CA SER B 111 3.867 -4.857 14.642 1.00 0.00 C ATOM 1340 C SER B 111 3.648 -3.375 14.293 1.00 0.00 C ATOM 1341 O SER B 111 3.574 -2.546 15.196 1.00 0.00 O ATOM 1342 CB SER B 111 5.267 -5.298 14.198 1.00 0.00 C ATOM 1343 OG SER B 111 5.407 -6.717 14.243 1.00 0.00 O ATOM 0 H SER B 111 2.731 -5.500 13.018 1.00 0.00 H new ATOM 0 HA SER B 111 3.793 -4.985 15.722 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.457 -4.945 13.184 1.00 0.00 H new ATOM 0 HB3 SER B 111 6.016 -4.837 14.842 1.00 0.00 H new ATOM 0 HG SER B 111 6.181 -6.952 14.796 1.00 0.00 H new ATOM 1349 N ASP B 112 3.607 -3.041 12.979 1.00 0.00 N ATOM 1350 CA ASP B 112 3.459 -1.648 12.538 1.00 0.00 C ATOM 1351 C ASP B 112 2.224 -0.931 13.137 1.00 0.00 C ATOM 1352 O ASP B 112 2.254 -0.529 14.302 1.00 0.00 O ATOM 1353 CB ASP B 112 3.458 -1.591 11.016 1.00 0.00 C ATOM 1354 CG ASP B 112 4.862 -1.461 10.449 1.00 0.00 C ATOM 1355 OD1 ASP B 112 5.330 -0.311 10.292 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.491 -2.504 10.174 1.00 0.00 O ATOM 0 H ASP B 112 3.674 -3.717 12.219 1.00 0.00 H new ATOM 0 HA ASP B 112 4.317 -1.097 12.922 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.989 -2.492 10.620 1.00 0.00 H new ATOM 0 HB3 ASP B 112 2.854 -0.746 10.685 1.00 0.00 H new ATOM 1361 N SER B 113 1.139 -0.734 12.362 1.00 0.00 N ATOM 1362 CA SER B 113 -0.058 -0.037 12.881 1.00 0.00 C ATOM 1363 C SER B 113 -1.274 -0.209 11.937 1.00 0.00 C ATOM 1364 O SER B 113 -2.159 0.650 11.869 1.00 0.00 O ATOM 1365 CB SER B 113 0.247 1.451 13.073 1.00 0.00 C ATOM 1366 OG SER B 113 -0.885 2.140 13.577 1.00 0.00 O ATOM 0 H SER B 113 1.065 -1.041 11.392 1.00 0.00 H new ATOM 0 HA SER B 113 -0.315 -0.485 13.841 1.00 0.00 H new ATOM 0 HB2 SER B 113 1.085 1.569 13.760 1.00 0.00 H new ATOM 0 HB3 SER B 113 0.551 1.889 12.122 1.00 0.00 H new ATOM 0 HG SER B 113 -1.668 1.929 13.027 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.292 -1.338 11.229 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.350 -1.711 10.274 1.00 0.00 C ATOM 1374 C TYR B 114 -3.667 -2.117 10.967 1.00 0.00 C ATOM 1375 O TYR B 114 -4.760 -1.855 10.459 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.830 -2.881 9.466 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.822 -3.986 9.291 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -2.926 -5.004 10.220 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -3.641 -4.002 8.195 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -3.829 -6.023 10.053 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -4.555 -5.011 8.007 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.647 -6.028 8.940 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.554 -7.048 8.761 1.00 0.00 O ATOM 0 H TYR B 114 -0.556 -2.040 11.301 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.580 -0.846 9.651 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.523 -2.523 8.483 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.940 -3.279 9.953 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -2.287 -4.997 11.090 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -3.568 -3.209 7.466 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -3.900 -6.814 10.785 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.196 -5.010 7.138 1.00 0.00 H new ATOM 0 HH TYR B 114 -6.347 -6.703 8.300 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.554 -2.830 12.087 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.732 -3.355 12.790 1.00 0.00 C ATOM 1395 C GLN B 115 -5.844 -2.316 13.028 1.00 0.00 C ATOM 1396 O GLN B 115 -7.010 -2.644 12.866 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.336 -4.002 14.123 1.00 0.00 C ATOM 1398 CG GLN B 115 -3.128 -4.936 14.048 1.00 0.00 C ATOM 1399 CD GLN B 115 -2.243 -4.874 15.282 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -2.017 -3.677 15.809 1.00 0.00 O flip ATOM 1401 NE2 GLN B 115 -1.764 -5.896 15.759 1.00 0.00 N flip ATOM 0 H GLN B 115 -2.663 -3.059 12.529 1.00 0.00 H new ATOM 0 HA GLN B 115 -5.149 -4.106 12.119 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.124 -3.213 14.845 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -5.188 -4.563 14.506 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -3.477 -5.960 13.911 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.534 -4.681 13.170 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.959 -6.800 15.328 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -1.171 -5.843 16.587 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.515 -1.085 13.423 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.559 -0.067 13.676 1.00 0.00 C ATOM 1412 C LEU B 116 -7.472 0.167 12.461 1.00 0.00 C ATOM 1413 O LEU B 116 -8.668 0.421 12.613 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.941 1.263 14.097 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.372 1.755 15.479 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.263 2.559 16.137 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.645 2.581 15.365 1.00 0.00 C ATOM 0 H LEU B 116 -4.559 -0.765 13.575 1.00 0.00 H new ATOM 0 HA LEU B 116 -7.170 -0.464 14.486 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.855 1.165 14.083 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -6.203 2.020 13.358 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.574 0.889 16.109 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.593 2.898 17.119 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.377 1.934 16.248 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.022 3.422 15.517 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.944 2.927 16.354 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.464 3.440 14.719 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.440 1.968 14.939 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.902 0.071 11.267 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.681 0.265 10.037 1.00 0.00 C ATOM 1431 C LEU B 117 -8.631 -0.904 9.812 1.00 0.00 C ATOM 1432 O LEU B 117 -9.840 -0.718 9.654 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.769 0.445 8.838 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.752 1.854 8.243 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -8.030 2.113 7.478 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -6.566 2.901 9.330 1.00 0.00 C ATOM 0 H LEU B 117 -5.915 -0.137 11.117 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.272 1.174 10.154 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.753 0.178 9.130 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -7.072 -0.257 8.061 1.00 0.00 H new ATOM 0 HG LEU B 117 -5.909 1.924 7.556 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -8.006 3.119 7.059 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.125 1.386 6.671 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -8.882 2.021 8.151 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.557 3.894 8.881 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.386 2.833 10.045 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.621 2.727 9.845 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.086 -2.110 9.843 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.887 -3.315 9.690 1.00 0.00 C ATOM 1450 C LYS B 118 -9.811 -3.467 10.893 1.00 0.00 C ATOM 1451 O LYS B 118 -10.879 -4.074 10.810 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.975 -4.530 9.546 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.942 -4.615 10.649 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.849 -6.026 11.214 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.754 -6.023 12.729 1.00 0.00 C ATOM 1456 NZ LYS B 118 -7.161 -7.335 13.308 1.00 0.00 N ATOM 0 H LYS B 118 -7.089 -2.281 9.973 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.497 -3.239 8.790 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.580 -5.437 9.549 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.469 -4.488 8.582 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.969 -4.311 10.263 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.200 -3.918 11.446 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.724 -6.599 10.906 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.976 -6.528 10.796 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.732 -5.794 13.029 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -7.389 -5.234 13.132 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -7.084 -7.296 14.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -8.145 -7.542 13.042 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.539 -8.084 12.942 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.377 -2.882 12.003 1.00 0.00 N ATOM 1471 CA ALA B 119 -10.126 -2.899 13.248 1.00 0.00 C ATOM 1472 C ALA B 119 -11.446 -2.153 13.100 1.00 0.00 C ATOM 1473 O ALA B 119 -12.443 -2.531 13.717 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.304 -2.295 14.379 1.00 0.00 C ATOM 0 H ALA B 119 -8.491 -2.381 12.062 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.344 -3.938 13.493 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.883 -2.317 15.302 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.388 -2.871 14.511 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -9.051 -1.263 14.134 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.463 -1.099 12.272 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.687 -0.346 12.067 1.00 0.00 C ATOM 1482 C TYR B 120 -13.509 -0.961 10.934 1.00 0.00 C ATOM 1483 O TYR B 120 -14.737 -0.908 10.993 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.420 1.167 11.923 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.921 1.691 10.595 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.480 1.327 9.377 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.880 2.601 10.588 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.002 1.861 8.194 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.399 3.140 9.424 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.963 2.768 8.222 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.498 3.311 7.048 1.00 0.00 O ATOM 0 H TYR B 120 -10.656 -0.761 11.748 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.305 -0.423 12.962 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -13.347 1.690 12.158 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.693 1.449 12.684 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.296 0.620 9.353 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.434 2.895 11.526 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.441 1.569 7.251 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.585 3.850 9.448 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.944 4.094 7.247 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.823 -1.610 9.956 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.487 -2.341 8.846 1.00 0.00 C ATOM 1503 C ASP B 121 -13.068 -1.866 7.462 1.00 0.00 C ATOM 1504 O ASP B 121 -13.840 -1.217 6.750 1.00 0.00 O ATOM 1505 CB ASP B 121 -15.015 -2.317 8.958 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.693 -3.190 7.916 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -15.235 -4.335 7.707 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.681 -2.728 7.309 1.00 0.00 O ATOM 0 H ASP B 121 -11.804 -1.641 9.915 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.142 -3.369 8.958 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.308 -2.652 9.953 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.367 -1.291 8.851 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.836 -2.179 7.084 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.329 -1.769 5.782 1.00 0.00 C ATOM 1515 C VAL B 122 -10.007 -2.427 5.419 1.00 0.00 C ATOM 1516 O VAL B 122 -9.795 -2.770 4.255 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.196 -0.237 5.732 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -9.794 0.218 6.097 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -11.601 0.295 4.366 1.00 0.00 C ATOM 0 H VAL B 122 -11.176 -2.709 7.653 1.00 0.00 H new ATOM 0 HA VAL B 122 -12.053 -2.104 5.040 1.00 0.00 H new ATOM 0 HB VAL B 122 -11.876 0.176 6.477 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -9.741 1.306 6.050 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.555 -0.114 7.108 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.078 -0.211 5.396 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.499 1.380 4.353 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -10.957 -0.139 3.601 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -12.638 0.025 4.163 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.094 -2.563 6.382 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.788 -3.135 6.097 1.00 0.00 C ATOM 1531 C ASN B 123 -7.068 -2.194 5.133 1.00 0.00 C ATOM 1532 O ASN B 123 -6.656 -1.104 5.527 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.912 -4.563 5.522 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.040 -5.626 6.597 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -7.048 -6.225 7.019 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -9.261 -5.876 7.043 1.00 0.00 N ATOM 0 H ASN B 123 -9.237 -2.287 7.353 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.211 -3.232 7.016 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.782 -4.611 4.866 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -7.038 -4.779 4.908 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -9.406 -6.586 7.761 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -10.057 -5.359 6.669 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.941 -2.582 3.871 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.282 -1.707 2.905 1.00 0.00 C ATOM 1545 C ILE B 124 -6.727 -1.899 1.461 1.00 0.00 C ATOM 1546 O ILE B 124 -6.185 -1.236 0.576 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.747 -1.804 2.952 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.299 -2.940 3.846 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.150 -0.493 3.435 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.910 -4.254 3.443 1.00 0.00 C ATOM 0 H ILE B 124 -7.274 -3.471 3.497 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.602 -0.716 3.227 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.392 -2.006 1.941 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.213 -3.021 3.812 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.570 -2.717 4.878 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -3.064 -0.576 3.463 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.435 0.309 2.754 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.523 -0.270 4.435 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.559 -5.039 4.113 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.996 -4.184 3.503 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.618 -4.493 2.420 1.00 0.00 H new ATOM 1562 N SER B 125 -7.672 -2.807 1.200 1.00 0.00 N ATOM 1563 CA SER B 125 -8.108 -3.042 -0.179 1.00 0.00 C ATOM 1564 C SER B 125 -8.186 -1.696 -0.925 1.00 0.00 C ATOM 1565 O SER B 125 -7.414 -1.433 -1.864 1.00 0.00 O ATOM 1566 CB SER B 125 -9.463 -3.771 -0.197 1.00 0.00 C ATOM 1567 OG SER B 125 -10.297 -3.309 -1.250 1.00 0.00 O ATOM 0 H SER B 125 -8.139 -3.378 1.905 1.00 0.00 H new ATOM 0 HA SER B 125 -7.385 -3.681 -0.687 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.298 -4.843 -0.308 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.968 -3.623 0.758 1.00 0.00 H new ATOM 0 HG SER B 125 -11.148 -3.795 -1.231 1.00 0.00 H new ATOM 1573 N GLY B 126 -9.084 -0.823 -0.463 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.215 0.502 -1.051 1.00 0.00 C ATOM 1575 C GLY B 126 -8.248 1.499 -0.428 1.00 0.00 C ATOM 1576 O GLY B 126 -7.800 2.432 -1.093 1.00 0.00 O ATOM 0 H GLY B 126 -9.723 -1.011 0.309 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -9.033 0.442 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.237 0.858 -0.920 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.910 1.288 0.852 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.984 2.150 1.566 1.00 0.00 C ATOM 1582 C LEU B 127 -5.645 2.225 0.841 1.00 0.00 C ATOM 1583 O LEU B 127 -5.227 3.302 0.421 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.779 1.615 2.984 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.655 2.658 4.086 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -5.552 2.254 5.043 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.389 4.030 3.497 1.00 0.00 C ATOM 0 H LEU B 127 -8.274 0.516 1.411 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.405 3.154 1.611 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.615 0.959 3.226 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.879 1.001 2.991 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.595 2.712 4.636 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -5.463 3.001 5.832 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -5.790 1.286 5.484 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.608 2.184 4.502 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.304 4.761 4.301 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.460 4.007 2.927 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.212 4.309 2.839 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.984 1.073 0.687 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.700 1.015 -0.005 1.00 0.00 C ATOM 1601 C VAL B 128 -3.821 1.654 -1.383 1.00 0.00 C ATOM 1602 O VAL B 128 -3.208 2.664 -1.650 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.183 -0.441 -0.132 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.308 -0.630 -1.366 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.412 -0.832 1.115 1.00 0.00 C ATOM 0 H VAL B 128 -5.318 0.173 1.032 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.975 1.572 0.589 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.053 -1.089 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.968 -1.664 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.885 -0.394 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.445 0.033 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.054 -1.856 1.015 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.562 -0.161 1.243 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.065 -0.760 1.984 1.00 0.00 H new ATOM 1615 N SER B 129 -4.620 1.052 -2.248 1.00 0.00 N ATOM 1616 CA SER B 129 -4.823 1.551 -3.605 1.00 0.00 C ATOM 1617 C SER B 129 -5.147 3.050 -3.657 1.00 0.00 C ATOM 1618 O SER B 129 -4.589 3.773 -4.487 1.00 0.00 O ATOM 1619 CB SER B 129 -5.962 0.773 -4.242 1.00 0.00 C ATOM 1620 OG SER B 129 -7.083 0.699 -3.371 1.00 0.00 O ATOM 0 H SER B 129 -5.147 0.205 -2.034 1.00 0.00 H new ATOM 0 HA SER B 129 -3.888 1.411 -4.147 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.255 1.251 -5.177 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.624 -0.233 -4.491 1.00 0.00 H new ATOM 0 HG SER B 129 -7.191 -0.222 -3.055 1.00 0.00 H new ATOM 1626 N THR B 130 -6.025 3.525 -2.775 1.00 0.00 N ATOM 1627 CA THR B 130 -6.377 4.939 -2.752 1.00 0.00 C ATOM 1628 C THR B 130 -5.216 5.736 -2.200 1.00 0.00 C ATOM 1629 O THR B 130 -4.800 6.738 -2.782 1.00 0.00 O ATOM 1630 CB THR B 130 -7.635 5.179 -1.911 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.795 4.884 -2.663 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.776 6.601 -1.409 1.00 0.00 C ATOM 0 H THR B 130 -6.500 2.956 -2.074 1.00 0.00 H new ATOM 0 HA THR B 130 -6.590 5.264 -3.770 1.00 0.00 H new ATOM 0 HB THR B 130 -7.529 4.520 -1.050 1.00 0.00 H new ATOM 0 HG1 THR B 130 -9.590 5.040 -2.112 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.690 6.691 -0.822 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.918 6.853 -0.785 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.821 7.284 -2.258 1.00 0.00 H new ATOM 1640 N THR B 131 -4.689 5.279 -1.069 1.00 0.00 N ATOM 1641 CA THR B 131 -3.573 5.955 -0.444 1.00 0.00 C ATOM 1642 C THR B 131 -2.340 5.928 -1.347 1.00 0.00 C ATOM 1643 O THR B 131 -1.597 6.908 -1.421 1.00 0.00 O ATOM 1644 CB THR B 131 -3.266 5.374 0.940 1.00 0.00 C ATOM 1645 OG1 THR B 131 -2.828 6.401 1.808 1.00 0.00 O ATOM 1646 CG2 THR B 131 -2.204 4.296 0.945 1.00 0.00 C ATOM 0 H THR B 131 -5.018 4.450 -0.575 1.00 0.00 H new ATOM 0 HA THR B 131 -3.857 6.997 -0.300 1.00 0.00 H new ATOM 0 HB THR B 131 -4.201 4.921 1.270 1.00 0.00 H new ATOM 0 HG1 THR B 131 -3.437 6.465 2.573 1.00 0.00 H new ATOM 0 HG21 THR B 131 -2.050 3.941 1.964 1.00 0.00 H new ATOM 0 HG22 THR B 131 -2.526 3.465 0.317 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.270 4.703 0.558 1.00 0.00 H new ATOM 1654 N MET B 132 -2.142 4.815 -2.062 1.00 0.00 N ATOM 1655 CA MET B 132 -1.031 4.680 -2.975 1.00 0.00 C ATOM 1656 C MET B 132 -1.144 5.673 -4.118 1.00 0.00 C ATOM 1657 O MET B 132 -0.220 6.433 -4.355 1.00 0.00 O ATOM 1658 CB MET B 132 -0.966 3.260 -3.520 1.00 0.00 C ATOM 1659 CG MET B 132 -0.683 2.227 -2.452 1.00 0.00 C ATOM 1660 SD MET B 132 1.069 2.001 -2.163 1.00 0.00 S ATOM 1661 CE MET B 132 1.118 0.233 -2.032 1.00 0.00 C ATOM 0 H MET B 132 -2.749 3.996 -2.016 1.00 0.00 H new ATOM 0 HA MET B 132 -0.113 4.892 -2.427 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.911 3.021 -4.007 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.191 3.206 -4.284 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.165 2.529 -1.522 1.00 0.00 H new ATOM 0 HG3 MET B 132 -1.125 1.275 -2.746 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.154 -0.098 -1.956 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.571 -0.081 -1.143 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.659 -0.210 -2.916 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.276 5.669 -4.830 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.466 6.587 -5.955 1.00 0.00 C ATOM 1673 C GLN B 133 -2.094 8.015 -5.559 1.00 0.00 C ATOM 1674 O GLN B 133 -1.538 8.762 -6.363 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.920 6.518 -6.458 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.636 7.867 -6.528 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.557 7.982 -7.726 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -6.546 7.264 -7.831 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.236 8.890 -8.636 1.00 0.00 N ATOM 0 H GLN B 133 -3.065 5.048 -4.650 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.805 6.283 -6.766 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.926 6.067 -7.450 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.486 5.855 -5.803 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.214 8.014 -5.616 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.895 8.665 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -4.404 9.467 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -5.821 9.012 -9.463 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.378 8.384 -4.311 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.041 9.715 -3.819 1.00 0.00 C ATOM 1690 C ASN B 134 -0.528 9.889 -3.755 1.00 0.00 C ATOM 1691 O ASN B 134 0.023 10.785 -4.398 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.662 9.941 -2.433 1.00 0.00 C ATOM 1693 CG ASN B 134 -3.672 11.071 -2.395 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -3.580 12.034 -3.154 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -4.644 10.957 -1.501 1.00 0.00 N ATOM 0 H ASN B 134 -2.838 7.783 -3.627 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.447 10.455 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.147 9.021 -2.107 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -1.867 10.152 -1.718 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -5.354 11.686 -1.423 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.682 10.141 -0.891 1.00 0.00 H new ATOM 1702 N GLU B 135 0.148 9.011 -3.012 1.00 0.00 N ATOM 1703 CA GLU B 135 1.605 9.065 -2.903 1.00 0.00 C ATOM 1704 C GLU B 135 2.275 8.587 -4.195 1.00 0.00 C ATOM 1705 O GLU B 135 3.468 8.812 -4.400 1.00 0.00 O ATOM 1706 CB GLU B 135 2.076 8.208 -1.723 1.00 0.00 C ATOM 1707 CG GLU B 135 2.497 9.019 -0.506 1.00 0.00 C ATOM 1708 CD GLU B 135 1.408 9.113 0.545 1.00 0.00 C ATOM 1709 OE1 GLU B 135 0.259 9.458 0.188 1.00 0.00 O ATOM 1710 OE2 GLU B 135 1.706 8.843 1.729 1.00 0.00 O ATOM 0 H GLU B 135 -0.288 8.258 -2.480 1.00 0.00 H new ATOM 0 HA GLU B 135 1.893 10.103 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.273 7.529 -1.436 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.915 7.592 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.384 8.567 -0.063 1.00 0.00 H new ATOM 0 HG3 GLU B 135 2.776 10.024 -0.824 1.00 0.00 H new ATOM 1717 N ALA B 136 1.494 7.961 -5.079 1.00 0.00 N ATOM 1718 CA ALA B 136 1.988 7.488 -6.363 1.00 0.00 C ATOM 1719 C ALA B 136 1.875 8.600 -7.402 1.00 0.00 C ATOM 1720 O ALA B 136 2.669 8.678 -8.337 1.00 0.00 O ATOM 1721 CB ALA B 136 1.209 6.259 -6.810 1.00 0.00 C ATOM 0 H ALA B 136 0.505 7.771 -4.920 1.00 0.00 H new ATOM 0 HA ALA B 136 3.036 7.209 -6.259 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.590 5.917 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.325 5.466 -6.071 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.153 6.513 -6.907 1.00 0.00 H new ATOM 1727 N ARG B 137 0.872 9.466 -7.225 1.00 0.00 N ATOM 1728 CA ARG B 137 0.653 10.590 -8.124 1.00 0.00 C ATOM 1729 C ARG B 137 1.551 11.745 -7.761 1.00 0.00 C ATOM 1730 O ARG B 137 2.178 12.372 -8.617 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.768 11.104 -8.000 1.00 0.00 C ATOM 1732 CG ARG B 137 -1.634 10.807 -9.201 1.00 0.00 C ATOM 1733 CD ARG B 137 -1.098 11.488 -10.450 1.00 0.00 C ATOM 1734 NE ARG B 137 -0.836 10.531 -11.531 1.00 0.00 N ATOM 1735 CZ ARG B 137 -1.781 9.881 -12.207 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -3.055 10.053 -11.912 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -1.444 9.051 -13.177 1.00 0.00 N ATOM 0 H ARG B 137 0.199 9.404 -6.461 1.00 0.00 H new ATOM 0 HA ARG B 137 0.858 10.232 -9.133 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.227 10.663 -7.115 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.741 12.182 -7.841 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -1.679 9.730 -9.362 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.653 11.143 -9.010 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -1.816 12.233 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -0.178 12.020 -10.206 1.00 0.00 H new ATOM 0 HE ARG B 137 0.136 10.352 -11.782 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -3.323 10.688 -11.160 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -3.772 9.551 -12.435 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -0.461 8.908 -13.408 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -2.167 8.552 -13.696 1.00 0.00 H new ATOM 1751 N ARG B 138 1.547 12.046 -6.474 1.00 0.00 N ATOM 1752 CA ARG B 138 2.299 13.165 -5.943 1.00 0.00 C ATOM 1753 C ARG B 138 3.822 12.928 -5.882 1.00 0.00 C ATOM 1754 O ARG B 138 4.573 13.891 -5.735 1.00 0.00 O ATOM 1755 CB ARG B 138 1.775 13.537 -4.550 1.00 0.00 C ATOM 1756 CG ARG B 138 0.470 14.323 -4.579 1.00 0.00 C ATOM 1757 CD ARG B 138 0.607 15.670 -3.881 1.00 0.00 C ATOM 1758 NE ARG B 138 0.532 16.791 -4.826 1.00 0.00 N ATOM 1759 CZ ARG B 138 0.371 18.063 -4.469 1.00 0.00 C ATOM 1760 NH1 ARG B 138 0.260 18.394 -3.197 1.00 0.00 N ATOM 1761 NH2 ARG B 138 0.323 19.005 -5.393 1.00 0.00 N ATOM 0 H ARG B 138 1.024 11.523 -5.772 1.00 0.00 H new ATOM 0 HA ARG B 138 2.146 13.987 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.627 12.625 -3.971 1.00 0.00 H new ATOM 0 HB3 ARG B 138 2.532 14.125 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG B 138 0.162 14.479 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -0.316 13.742 -4.097 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -0.180 15.773 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG B 138 1.558 15.707 -3.349 1.00 0.00 H new ATOM 0 HE ARG B 138 0.608 16.581 -5.821 1.00 0.00 H new ATOM 0 HH11 ARG B 138 0.297 17.672 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG B 138 0.137 19.372 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG B 138 0.409 18.757 -6.379 1.00 0.00 H new ATOM 0 HH22 ARG B 138 0.200 19.980 -5.121 1.00 0.00 H new