USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 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 14 TYR OH : rot 165:sc= -2.8! USER MOD Set 1.2: A 18 LYS NZ :NH3+ -172:sc= 0.0776 (180deg=0) USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0.943 USER MOD Set 2.2: B 102 LYS NZ :NH3+ 145:sc= 1.54! (180deg=0.871) USER MOD Set 3.1: A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: B 111 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc=-0.00355 K(o=-0.0036,f=-0.51) USER MOD Single : A 6 THR OG1 : rot -143:sc= -2.27! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 13 SER OG : rot 69:sc= 0.0968 USER MOD Single : A 15 GLN : amide:sc= -0.0655 K(o=-0.066,f=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.0259 K(o=0.026,f=-2.8!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.718 USER MOD Single : A 29 SER OG : rot -90:sc= 0.733 USER MOD Single : A 30 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 31 THR OG1 : rot 67:sc= 0.0825 USER MOD Single : A 32 MET CE :methyl -136:sc= -18.2! (180deg=-29.9!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc=-0.00981 K(o=-0.0098,f=-1) USER MOD Single : B 103 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 106 THR OG1 : rot -36:sc= 0.276! USER MOD Single : B 108 THR OG1 : rot 39:sc= 1.09 USER MOD Single : B 113 SER OG : rot -60:sc= 1.2 USER MOD Single : B 114 TYR OH : rot 165:sc= -1.08! USER MOD Single : B 115 GLN : amide:sc= -0.0991 X(o=-0.099,f=-0.065) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot -113:sc= 0.955 USER MOD Single : B 123 ASN : amide:sc= 0.384! C(o=0.38!,f=-6!) USER MOD Single : B 125 SER OG : rot -85:sc= -0.524 USER MOD Single : B 129 SER OG : rot -103:sc= -0.463! USER MOD Single : B 130 THR OG1 : rot 60:sc= 1.17 USER MOD Single : B 131 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 162:sc= -14.4! (180deg=-14.7!) USER MOD Single : B 133 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.024) USER MOD Single : B 134 ASN : amide:sc= -0.0878 X(o=-0.088,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.844 -12.629 11.630 1.00 0.00 N ATOM 21 CA LYS A 2 4.125 -11.354 11.622 1.00 0.00 C ATOM 22 C LYS A 2 2.735 -11.542 11.001 1.00 0.00 C ATOM 23 O LYS A 2 2.318 -12.677 10.755 1.00 0.00 O ATOM 24 CB LYS A 2 4.939 -10.295 10.864 1.00 0.00 C ATOM 25 CG LYS A 2 5.671 -9.318 11.777 1.00 0.00 C ATOM 26 CD LYS A 2 6.706 -10.018 12.648 1.00 0.00 C ATOM 27 CE LYS A 2 6.984 -9.232 13.923 1.00 0.00 C ATOM 28 NZ LYS A 2 8.181 -8.350 13.783 1.00 0.00 N ATOM 0 HA LYS A 2 3.993 -11.005 12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.666 -10.796 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.271 -9.736 10.209 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.162 -8.555 11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.949 -8.805 12.413 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.352 -11.017 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.632 -10.142 12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.113 -8.626 14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.138 -9.925 14.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.337 -7.832 14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.017 -8.931 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.024 -7.672 13.010 1.00 0.00 H new ATOM 42 N GLN A 3 2.008 -10.451 10.749 1.00 0.00 N ATOM 43 CA GLN A 3 0.677 -10.563 10.172 1.00 0.00 C ATOM 44 C GLN A 3 0.638 -10.091 8.737 1.00 0.00 C ATOM 45 O GLN A 3 0.783 -8.906 8.451 1.00 0.00 O ATOM 46 CB GLN A 3 -0.346 -9.790 11.009 1.00 0.00 C ATOM 47 CG GLN A 3 -1.721 -9.788 10.379 1.00 0.00 C ATOM 48 CD GLN A 3 -2.358 -11.164 10.353 1.00 0.00 C ATOM 49 OE1 GLN A 3 -2.198 -11.954 11.278 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.080 -11.464 9.283 1.00 0.00 N ATOM 0 H GLN A 3 2.317 -9.497 10.934 1.00 0.00 H new ATOM 0 HA GLN A 3 0.416 -11.621 10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.406 -10.231 12.004 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.006 -8.762 11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.367 -9.104 10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.648 -9.407 9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.190 -10.780 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.526 -12.378 9.208 1.00 0.00 H new ATOM 59 N ARG A 4 0.439 -11.035 7.830 1.00 0.00 N ATOM 60 CA ARG A 4 0.395 -10.720 6.424 1.00 0.00 C ATOM 61 C ARG A 4 -0.943 -10.140 5.996 1.00 0.00 C ATOM 62 O ARG A 4 -1.920 -10.860 5.781 1.00 0.00 O ATOM 63 CB ARG A 4 0.712 -11.947 5.588 1.00 0.00 C ATOM 64 CG ARG A 4 1.529 -11.611 4.364 1.00 0.00 C ATOM 65 CD ARG A 4 1.810 -12.846 3.539 1.00 0.00 C ATOM 66 NE ARG A 4 3.084 -13.483 3.891 1.00 0.00 N ATOM 67 CZ ARG A 4 4.253 -12.863 3.908 1.00 0.00 C ATOM 68 NH1 ARG A 4 4.354 -11.637 3.430 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.329 -13.493 4.358 1.00 0.00 N ATOM 0 H ARG A 4 0.306 -12.022 8.049 1.00 0.00 H new ATOM 0 HA ARG A 4 1.154 -9.956 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.255 -12.669 6.198 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.218 -12.425 5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.996 -10.879 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.470 -11.151 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.000 -13.562 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.822 -12.578 2.483 1.00 0.00 H new ATOM 0 HE ARG A 4 3.067 -14.472 4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 4 3.532 -11.169 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 4 5.254 -11.157 3.442 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.255 -14.454 4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.231 -13.016 4.372 1.00 0.00 H new ATOM 83 N ILE A 5 -0.940 -8.831 5.804 1.00 0.00 N ATOM 84 CA ILE A 5 -2.104 -8.115 5.313 1.00 0.00 C ATOM 85 C ILE A 5 -1.893 -7.932 3.842 1.00 0.00 C ATOM 86 O ILE A 5 -0.806 -7.520 3.430 1.00 0.00 O ATOM 87 CB ILE A 5 -2.286 -6.730 5.978 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.745 -5.613 5.077 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.579 -6.710 7.323 1.00 0.00 C ATOM 90 CD1 ILE A 5 -2.155 -4.218 5.498 1.00 0.00 C ATOM 0 H ILE A 5 -0.131 -8.236 5.984 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.002 -8.686 5.547 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.351 -6.555 6.129 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.657 -5.670 5.062 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.088 -5.787 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.709 -5.733 7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.003 -7.479 7.969 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.516 -6.904 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.730 -3.490 4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.242 -4.139 5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.789 -4.020 6.505 1.00 0.00 H new ATOM 102 N THR A 6 -2.865 -8.264 3.030 1.00 0.00 N ATOM 103 CA THR A 6 -2.634 -8.131 1.620 1.00 0.00 C ATOM 104 C THR A 6 -3.753 -7.396 0.865 1.00 0.00 C ATOM 105 O THR A 6 -4.932 -7.736 0.960 1.00 0.00 O ATOM 106 CB THR A 6 -2.281 -9.504 1.012 1.00 0.00 C ATOM 107 OG1 THR A 6 -3.166 -9.856 -0.029 1.00 0.00 O ATOM 108 CG2 THR A 6 -2.277 -10.645 2.016 1.00 0.00 C ATOM 0 H THR A 6 -3.783 -8.613 3.306 1.00 0.00 H new ATOM 0 HA THR A 6 -1.774 -7.474 1.493 1.00 0.00 H new ATOM 0 HB THR A 6 -1.267 -9.373 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.338 -10.820 0.000 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.020 -11.575 1.509 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.543 -10.441 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.266 -10.738 2.465 1.00 0.00 H new ATOM 116 N VAL A 7 -3.329 -6.406 0.067 1.00 0.00 N ATOM 117 CA VAL A 7 -4.207 -5.610 -0.788 1.00 0.00 C ATOM 118 C VAL A 7 -4.095 -6.145 -2.208 1.00 0.00 C ATOM 119 O VAL A 7 -3.063 -5.965 -2.852 1.00 0.00 O ATOM 120 CB VAL A 7 -3.825 -4.082 -0.743 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.784 -3.389 -2.132 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.760 -3.353 0.196 1.00 0.00 C ATOM 0 H VAL A 7 -2.348 -6.135 -0.000 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.233 -5.692 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.801 -4.031 -0.372 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.513 -2.341 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.045 -3.882 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.765 -3.457 -2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.494 -2.296 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.786 -3.459 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.674 -3.777 1.196 1.00 0.00 H new ATOM 132 N THR A 8 -5.120 -6.821 -2.704 1.00 0.00 N ATOM 133 CA THR A 8 -5.054 -7.347 -4.058 1.00 0.00 C ATOM 134 C THR A 8 -5.138 -6.193 -5.058 1.00 0.00 C ATOM 135 O THR A 8 -6.215 -5.803 -5.510 1.00 0.00 O ATOM 136 CB THR A 8 -6.124 -8.404 -4.306 1.00 0.00 C ATOM 137 OG1 THR A 8 -7.283 -8.161 -3.529 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.642 -9.804 -4.001 1.00 0.00 C ATOM 0 H THR A 8 -5.987 -7.015 -2.204 1.00 0.00 H new ATOM 0 HA THR A 8 -4.097 -7.851 -4.195 1.00 0.00 H new ATOM 0 HB THR A 8 -6.359 -8.333 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.951 -8.855 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.445 -10.516 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.786 -10.040 -4.634 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.347 -9.867 -2.954 1.00 0.00 H new ATOM 146 N VAL A 9 -3.968 -5.644 -5.356 1.00 0.00 N ATOM 147 CA VAL A 9 -3.804 -4.512 -6.267 1.00 0.00 C ATOM 148 C VAL A 9 -4.049 -4.902 -7.727 1.00 0.00 C ATOM 149 O VAL A 9 -4.771 -5.861 -7.998 1.00 0.00 O ATOM 150 CB VAL A 9 -2.383 -3.936 -6.133 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.025 -3.716 -4.672 1.00 0.00 C ATOM 152 CG2 VAL A 9 -1.381 -4.871 -6.794 1.00 0.00 C ATOM 0 H VAL A 9 -3.087 -5.978 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.547 -3.765 -5.989 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.350 -2.970 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.016 -3.309 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.731 -3.016 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.070 -4.666 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.377 -4.457 -6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.420 -5.847 -6.310 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.627 -4.979 -7.850 1.00 0.00 H new ATOM 162 N ASP A 10 -3.459 -4.123 -8.659 1.00 0.00 N ATOM 163 CA ASP A 10 -3.610 -4.327 -10.105 1.00 0.00 C ATOM 164 C ASP A 10 -4.794 -3.507 -10.623 1.00 0.00 C ATOM 165 O ASP A 10 -4.894 -3.219 -11.816 1.00 0.00 O ATOM 166 CB ASP A 10 -3.761 -5.811 -10.466 1.00 0.00 C ATOM 167 CG ASP A 10 -4.071 -6.028 -11.931 1.00 0.00 C ATOM 168 OD1 ASP A 10 -3.143 -5.923 -12.758 1.00 0.00 O ATOM 169 OD2 ASP A 10 -5.251 -6.303 -12.246 1.00 0.00 O ATOM 0 H ASP A 10 -2.862 -3.331 -8.421 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.699 -3.981 -10.592 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.841 -6.338 -10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.556 -6.248 -9.862 1.00 0.00 H new ATOM 174 N SER A 11 -5.676 -3.111 -9.703 1.00 0.00 N ATOM 175 CA SER A 11 -6.836 -2.308 -10.045 1.00 0.00 C ATOM 176 C SER A 11 -6.696 -0.885 -9.494 1.00 0.00 C ATOM 177 O SER A 11 -6.566 0.056 -10.274 1.00 0.00 O ATOM 178 CB SER A 11 -8.116 -2.969 -9.529 1.00 0.00 C ATOM 179 OG SER A 11 -8.555 -3.988 -10.423 1.00 0.00 O ATOM 0 H SER A 11 -5.602 -3.339 -8.712 1.00 0.00 H new ATOM 0 HA SER A 11 -6.899 -2.242 -11.131 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.938 -3.397 -8.542 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.898 -2.218 -9.414 1.00 0.00 H new ATOM 0 HG SER A 11 -9.373 -4.399 -10.074 1.00 0.00 H new ATOM 185 N ASP A 12 -6.768 -0.718 -8.161 1.00 0.00 N ATOM 186 CA ASP A 12 -6.692 0.619 -7.565 1.00 0.00 C ATOM 187 C ASP A 12 -5.474 1.423 -8.050 1.00 0.00 C ATOM 188 O ASP A 12 -5.601 2.182 -9.015 1.00 0.00 O ATOM 189 CB ASP A 12 -6.740 0.534 -6.044 1.00 0.00 C ATOM 190 CG ASP A 12 -8.091 0.932 -5.489 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.411 2.139 -5.515 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.833 0.037 -5.036 1.00 0.00 O ATOM 0 H ASP A 12 -6.877 -1.479 -7.491 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.569 1.170 -7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.507 -0.484 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.971 1.181 -5.622 1.00 0.00 H new ATOM 197 N SER A 13 -4.305 1.316 -7.386 1.00 0.00 N ATOM 198 CA SER A 13 -3.127 2.104 -7.796 1.00 0.00 C ATOM 199 C SER A 13 -1.943 1.911 -6.830 1.00 0.00 C ATOM 200 O SER A 13 -1.302 2.876 -6.412 1.00 0.00 O ATOM 201 CB SER A 13 -3.508 3.569 -7.797 1.00 0.00 C ATOM 202 OG SER A 13 -3.964 3.981 -9.074 1.00 0.00 O ATOM 0 H SER A 13 -4.153 0.707 -6.582 1.00 0.00 H new ATOM 0 HA SER A 13 -2.819 1.767 -8.786 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.288 3.745 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.648 4.171 -7.504 1.00 0.00 H new ATOM 0 HG SER A 13 -4.825 3.554 -9.267 1.00 0.00 H new ATOM 208 N TYR A 14 -1.662 0.662 -6.496 1.00 0.00 N ATOM 209 CA TYR A 14 -0.567 0.320 -5.579 1.00 0.00 C ATOM 210 C TYR A 14 0.798 0.268 -6.267 1.00 0.00 C ATOM 211 O TYR A 14 1.797 0.718 -5.700 1.00 0.00 O ATOM 212 CB TYR A 14 -0.845 -1.025 -4.948 1.00 0.00 C ATOM 213 CG TYR A 14 0.311 -1.967 -5.084 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.350 -1.939 -4.190 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.353 -2.871 -6.113 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.408 -2.805 -4.313 1.00 0.00 C ATOM 217 CE2 TYR A 14 1.394 -3.744 -6.253 1.00 0.00 C ATOM 218 CZ TYR A 14 2.426 -3.718 -5.350 1.00 0.00 C ATOM 219 OH TYR A 14 3.472 -4.600 -5.489 1.00 0.00 O ATOM 0 H TYR A 14 -2.178 -0.145 -6.846 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.525 1.109 -4.829 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.076 -0.887 -3.892 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.727 -1.466 -5.412 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.336 -1.226 -3.379 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.455 -2.894 -6.829 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.222 -2.773 -3.603 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.404 -4.450 -7.070 1.00 0.00 H new ATOM 0 HH TYR A 14 3.218 -5.313 -6.111 1.00 0.00 H new ATOM 229 N GLN A 15 0.852 -0.365 -7.441 1.00 0.00 N ATOM 230 CA GLN A 15 2.117 -0.569 -8.136 1.00 0.00 C ATOM 231 C GLN A 15 2.972 0.698 -8.227 1.00 0.00 C ATOM 232 O GLN A 15 4.184 0.606 -8.091 1.00 0.00 O ATOM 233 CB GLN A 15 1.857 -1.126 -9.538 1.00 0.00 C ATOM 234 CG GLN A 15 1.608 -2.627 -9.566 1.00 0.00 C ATOM 235 CD GLN A 15 0.949 -3.089 -10.853 1.00 0.00 C ATOM 236 OE1 GLN A 15 0.210 -2.343 -11.491 1.00 0.00 O ATOM 237 NE2 GLN A 15 1.211 -4.329 -11.239 1.00 0.00 N ATOM 0 H GLN A 15 0.037 -0.742 -7.925 1.00 0.00 H new ATOM 0 HA GLN A 15 2.686 -1.286 -7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.995 -0.616 -9.967 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.712 -0.897 -10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.556 -3.150 -9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.977 -2.902 -8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.830 -4.917 -10.681 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.793 -4.696 -12.094 1.00 0.00 H new ATOM 246 N LEU A 16 2.367 1.865 -8.443 1.00 0.00 N ATOM 247 CA LEU A 16 3.144 3.112 -8.545 1.00 0.00 C ATOM 248 C LEU A 16 3.922 3.435 -7.253 1.00 0.00 C ATOM 249 O LEU A 16 5.139 3.614 -7.288 1.00 0.00 O ATOM 250 CB LEU A 16 2.215 4.282 -8.879 1.00 0.00 C ATOM 251 CG LEU A 16 2.429 4.929 -10.249 1.00 0.00 C ATOM 252 CD1 LEU A 16 1.252 5.826 -10.599 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.724 5.726 -10.270 1.00 0.00 C ATOM 0 H LEU A 16 1.359 1.979 -8.550 1.00 0.00 H new ATOM 0 HA LEU A 16 3.873 2.965 -9.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.184 3.932 -8.820 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.336 5.048 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 16 2.500 4.137 -10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.418 6.280 -11.576 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.338 5.233 -10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.155 6.609 -9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.857 6.178 -11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.681 6.509 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.563 5.063 -10.059 1.00 0.00 H new ATOM 265 N LEU A 17 3.201 3.546 -6.130 1.00 0.00 N ATOM 266 CA LEU A 17 3.836 3.895 -4.841 1.00 0.00 C ATOM 267 C LEU A 17 5.089 3.067 -4.575 1.00 0.00 C ATOM 268 O LEU A 17 6.143 3.594 -4.216 1.00 0.00 O ATOM 269 CB LEU A 17 2.882 3.699 -3.678 1.00 0.00 C ATOM 270 CG LEU A 17 2.778 4.877 -2.706 1.00 0.00 C ATOM 271 CD1 LEU A 17 4.086 5.071 -1.958 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.393 6.149 -3.438 1.00 0.00 C ATOM 0 H LEU A 17 2.192 3.403 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 17 4.110 4.947 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.889 3.490 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.194 2.816 -3.120 1.00 0.00 H new ATOM 0 HG LEU A 17 1.996 4.649 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.992 5.913 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.320 4.168 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.886 5.271 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.325 6.972 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.149 6.380 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.428 6.010 -3.925 1.00 0.00 H new ATOM 284 N LYS A 18 4.954 1.768 -4.745 1.00 0.00 N ATOM 285 CA LYS A 18 6.050 0.841 -4.520 1.00 0.00 C ATOM 286 C LYS A 18 7.012 0.830 -5.695 1.00 0.00 C ATOM 287 O LYS A 18 8.211 0.600 -5.531 1.00 0.00 O ATOM 288 CB LYS A 18 5.488 -0.546 -4.288 1.00 0.00 C ATOM 289 CG LYS A 18 4.777 -1.075 -5.507 1.00 0.00 C ATOM 290 CD LYS A 18 5.249 -2.470 -5.841 1.00 0.00 C ATOM 291 CE LYS A 18 4.867 -2.866 -7.253 1.00 0.00 C ATOM 292 NZ LYS A 18 5.471 -4.174 -7.634 1.00 0.00 N ATOM 0 H LYS A 18 4.085 1.324 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 18 6.608 1.164 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.297 -1.225 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.796 -0.521 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.701 -1.083 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.957 -0.413 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.332 -2.525 -5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.818 -3.179 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.782 -2.927 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.196 -2.095 -7.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.305 -4.352 -8.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.494 -4.150 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.036 -4.934 -7.073 1.00 0.00 H new ATOM 306 N ALA A 19 6.473 1.107 -6.872 1.00 0.00 N ATOM 307 CA ALA A 19 7.267 1.163 -8.091 1.00 0.00 C ATOM 308 C ALA A 19 8.258 2.308 -8.004 1.00 0.00 C ATOM 309 O ALA A 19 9.326 2.259 -8.610 1.00 0.00 O ATOM 310 CB ALA A 19 6.387 1.321 -9.325 1.00 0.00 C ATOM 0 H ALA A 19 5.481 1.298 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 19 7.806 0.221 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.013 1.359 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.705 0.473 -9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.812 2.244 -9.246 1.00 0.00 H new ATOM 316 N TYR A 20 7.902 3.334 -7.230 1.00 0.00 N ATOM 317 CA TYR A 20 8.775 4.469 -7.059 1.00 0.00 C ATOM 318 C TYR A 20 9.735 4.233 -5.895 1.00 0.00 C ATOM 319 O TYR A 20 10.923 4.504 -6.047 1.00 0.00 O ATOM 320 CB TYR A 20 7.979 5.785 -6.937 1.00 0.00 C ATOM 321 CG TYR A 20 7.574 6.222 -5.539 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.517 6.472 -4.547 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.235 6.425 -5.228 1.00 0.00 C ATOM 324 CE1 TYR A 20 8.133 6.908 -3.295 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.849 6.857 -3.979 1.00 0.00 C ATOM 326 CZ TYR A 20 6.799 7.097 -3.019 1.00 0.00 C ATOM 327 OH TYR A 20 6.416 7.540 -1.779 1.00 0.00 O ATOM 0 H TYR A 20 7.020 3.392 -6.720 1.00 0.00 H new ATOM 0 HA TYR A 20 9.386 4.579 -7.955 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.574 6.583 -7.382 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.074 5.690 -7.537 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.565 6.323 -4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.483 6.240 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.877 7.100 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.803 7.006 -3.756 1.00 0.00 H new ATOM 0 HH TYR A 20 5.440 7.622 -1.748 1.00 0.00 H new ATOM 337 N ASP A 21 9.247 3.687 -4.752 1.00 0.00 N ATOM 338 CA ASP A 21 10.157 3.403 -3.619 1.00 0.00 C ATOM 339 C ASP A 21 9.451 3.039 -2.302 1.00 0.00 C ATOM 340 O ASP A 21 10.078 3.091 -1.244 1.00 0.00 O ATOM 341 CB ASP A 21 11.076 4.608 -3.348 1.00 0.00 C ATOM 342 CG ASP A 21 12.437 4.190 -2.836 1.00 0.00 C ATOM 343 OD1 ASP A 21 13.182 3.533 -3.592 1.00 0.00 O ATOM 344 OD2 ASP A 21 12.757 4.517 -1.674 1.00 0.00 O ATOM 0 H ASP A 21 8.269 3.444 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 21 10.723 2.527 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.197 5.183 -4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.603 5.266 -2.619 1.00 0.00 H new ATOM 349 N VAL A 22 8.165 2.703 -2.320 1.00 0.00 N ATOM 350 CA VAL A 22 7.484 2.402 -1.061 1.00 0.00 C ATOM 351 C VAL A 22 6.472 1.262 -1.157 1.00 0.00 C ATOM 352 O VAL A 22 5.269 1.487 -1.331 1.00 0.00 O ATOM 353 CB VAL A 22 6.795 3.682 -0.544 1.00 0.00 C ATOM 354 CG1 VAL A 22 5.897 3.390 0.649 1.00 0.00 C ATOM 355 CG2 VAL A 22 7.831 4.736 -0.181 1.00 0.00 C ATOM 0 H VAL A 22 7.589 2.633 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 22 8.248 2.059 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 22 6.167 4.067 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.428 4.314 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.125 2.677 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.493 2.969 1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.327 5.632 0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.487 4.348 0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.422 4.984 -1.063 1.00 0.00 H new ATOM 365 N ASN A 23 6.958 0.025 -1.025 1.00 0.00 N ATOM 366 CA ASN A 23 6.081 -1.149 -1.072 1.00 0.00 C ATOM 367 C ASN A 23 5.226 -1.243 0.198 1.00 0.00 C ATOM 368 O ASN A 23 5.179 -2.277 0.858 1.00 0.00 O ATOM 369 CB ASN A 23 6.878 -2.436 -1.257 1.00 0.00 C ATOM 370 CG ASN A 23 8.105 -2.251 -2.129 1.00 0.00 C ATOM 371 OD1 ASN A 23 9.059 -1.578 -1.742 1.00 0.00 O ATOM 372 ND2 ASN A 23 8.089 -2.840 -3.315 1.00 0.00 N ATOM 0 H ASN A 23 7.945 -0.189 -0.886 1.00 0.00 H new ATOM 0 HA ASN A 23 5.424 -1.027 -1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.186 -2.810 -0.281 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.234 -3.195 -1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.887 -2.743 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.279 -3.390 -3.600 1.00 0.00 H new ATOM 379 N ILE A 24 4.570 -0.128 0.499 1.00 0.00 N ATOM 380 CA ILE A 24 3.679 0.090 1.624 1.00 0.00 C ATOM 381 C ILE A 24 4.060 -0.484 2.997 1.00 0.00 C ATOM 382 O ILE A 24 3.367 -0.178 3.965 1.00 0.00 O ATOM 383 CB ILE A 24 2.246 -0.278 1.285 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.204 -1.198 0.088 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.405 0.966 1.062 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.630 -2.562 0.481 1.00 0.00 C ATOM 0 H ILE A 24 4.656 0.706 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 24 3.794 1.164 1.771 1.00 0.00 H new ATOM 0 HB ILE A 24 1.817 -0.814 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.195 -1.228 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.857 -0.816 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.383 0.675 0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.406 1.573 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.822 1.544 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.596 -3.218 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.647 -2.527 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.960 -2.945 1.251 1.00 0.00 H new ATOM 398 N SER A 25 5.102 -1.307 3.109 1.00 0.00 N ATOM 399 CA SER A 25 5.464 -1.881 4.418 1.00 0.00 C ATOM 400 C SER A 25 5.272 -0.835 5.537 1.00 0.00 C ATOM 401 O SER A 25 4.410 -0.997 6.420 1.00 0.00 O ATOM 402 CB SER A 25 6.914 -2.385 4.375 1.00 0.00 C ATOM 403 OG SER A 25 7.783 -1.599 5.175 1.00 0.00 O ATOM 0 H SER A 25 5.702 -1.590 2.334 1.00 0.00 H new ATOM 0 HA SER A 25 4.808 -2.724 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.947 -3.420 4.716 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.268 -2.378 3.344 1.00 0.00 H new ATOM 0 HG SER A 25 8.693 -1.957 5.118 1.00 0.00 H new ATOM 409 N GLY A 26 6.039 0.255 5.468 1.00 0.00 N ATOM 410 CA GLY A 26 5.917 1.326 6.448 1.00 0.00 C ATOM 411 C GLY A 26 4.804 2.306 6.106 1.00 0.00 C ATOM 412 O GLY A 26 4.215 2.919 7.000 1.00 0.00 O ATOM 0 H GLY A 26 6.744 0.415 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.727 0.895 7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.863 1.864 6.513 1.00 0.00 H new ATOM 416 N LEU A 27 4.508 2.453 4.805 1.00 0.00 N ATOM 417 CA LEU A 27 3.454 3.353 4.348 1.00 0.00 C ATOM 418 C LEU A 27 2.103 2.904 4.869 1.00 0.00 C ATOM 419 O LEU A 27 1.461 3.625 5.623 1.00 0.00 O ATOM 420 CB LEU A 27 3.399 3.367 2.829 1.00 0.00 C ATOM 421 CG LEU A 27 2.644 4.531 2.206 1.00 0.00 C ATOM 422 CD1 LEU A 27 3.502 5.783 2.214 1.00 0.00 C ATOM 423 CD2 LEU A 27 2.222 4.160 0.793 1.00 0.00 C ATOM 0 H LEU A 27 4.989 1.956 4.055 1.00 0.00 H new ATOM 0 HA LEU A 27 3.680 4.350 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.420 3.374 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.939 2.438 2.492 1.00 0.00 H new ATOM 0 HG LEU A 27 1.750 4.741 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.948 6.607 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.763 6.039 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.412 5.604 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.681 4.993 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.106 3.938 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.576 3.283 0.825 1.00 0.00 H new ATOM 435 N VAL A 28 1.682 1.698 4.467 1.00 0.00 N ATOM 436 CA VAL A 28 0.409 1.154 4.909 1.00 0.00 C ATOM 437 C VAL A 28 0.239 1.351 6.411 1.00 0.00 C ATOM 438 O VAL A 28 -0.633 2.101 6.836 1.00 0.00 O ATOM 439 CB VAL A 28 0.283 -0.336 4.534 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.611 -1.085 5.508 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.256 -0.456 3.126 1.00 0.00 C ATOM 0 H VAL A 28 2.207 1.089 3.839 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.388 1.694 4.398 1.00 0.00 H new ATOM 0 HB VAL A 28 1.273 -0.788 4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.676 -2.132 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.192 -1.018 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.608 -0.643 5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.346 -1.509 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.236 0.017 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.425 0.037 2.432 1.00 0.00 H new ATOM 451 N SER A 29 1.097 0.705 7.205 1.00 0.00 N ATOM 452 CA SER A 29 1.053 0.830 8.660 1.00 0.00 C ATOM 453 C SER A 29 0.990 2.298 9.098 1.00 0.00 C ATOM 454 O SER A 29 0.304 2.626 10.070 1.00 0.00 O ATOM 455 CB SER A 29 2.289 0.167 9.259 1.00 0.00 C ATOM 456 OG SER A 29 3.456 0.484 8.509 1.00 0.00 O ATOM 0 H SER A 29 1.833 0.088 6.860 1.00 0.00 H new ATOM 0 HA SER A 29 0.150 0.336 9.019 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.417 0.494 10.291 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.150 -0.914 9.282 1.00 0.00 H new ATOM 0 HG SER A 29 3.585 -0.186 7.805 1.00 0.00 H new ATOM 462 N THR A 30 1.666 3.183 8.361 1.00 0.00 N ATOM 463 CA THR A 30 1.638 4.608 8.662 1.00 0.00 C ATOM 464 C THR A 30 0.258 5.134 8.337 1.00 0.00 C ATOM 465 O THR A 30 -0.402 5.757 9.170 1.00 0.00 O ATOM 466 CB THR A 30 2.682 5.359 7.836 1.00 0.00 C ATOM 467 OG1 THR A 30 3.989 5.049 8.278 1.00 0.00 O ATOM 468 CG2 THR A 30 2.520 6.865 7.884 1.00 0.00 C ATOM 0 H THR A 30 2.237 2.934 7.554 1.00 0.00 H new ATOM 0 HA THR A 30 1.869 4.760 9.716 1.00 0.00 H new ATOM 0 HB THR A 30 2.526 5.030 6.809 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.189 4.111 8.076 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.294 7.334 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.539 7.138 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.611 7.208 8.915 1.00 0.00 H new ATOM 476 N THR A 31 -0.180 4.845 7.113 1.00 0.00 N ATOM 477 CA THR A 31 -1.491 5.250 6.661 1.00 0.00 C ATOM 478 C THR A 31 -2.544 4.713 7.624 1.00 0.00 C ATOM 479 O THR A 31 -3.514 5.396 7.955 1.00 0.00 O ATOM 480 CB THR A 31 -1.771 4.739 5.239 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.855 5.290 4.305 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.168 5.060 4.753 1.00 0.00 C ATOM 0 H THR A 31 0.363 4.329 6.421 1.00 0.00 H new ATOM 0 HA THR A 31 -1.530 6.339 6.639 1.00 0.00 H new ATOM 0 HB THR A 31 -1.660 3.656 5.301 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.044 4.943 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.300 4.672 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.899 4.599 5.417 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.312 6.140 4.748 1.00 0.00 H new ATOM 490 N MET A 32 -2.316 3.482 8.089 1.00 0.00 N ATOM 491 CA MET A 32 -3.202 2.813 9.030 1.00 0.00 C ATOM 492 C MET A 32 -3.431 3.649 10.277 1.00 0.00 C ATOM 493 O MET A 32 -4.561 3.919 10.627 1.00 0.00 O ATOM 494 CB MET A 32 -2.624 1.462 9.439 1.00 0.00 C ATOM 495 CG MET A 32 -2.339 0.529 8.282 1.00 0.00 C ATOM 496 SD MET A 32 -3.415 0.786 6.880 1.00 0.00 S ATOM 497 CE MET A 32 -3.542 -0.910 6.356 1.00 0.00 C ATOM 0 H MET A 32 -1.506 2.923 7.819 1.00 0.00 H new ATOM 0 HA MET A 32 -4.157 2.671 8.525 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.700 1.628 9.992 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.320 0.974 10.121 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.304 0.661 7.965 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.439 -0.501 8.623 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.441 -0.965 5.272 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.751 -1.496 6.824 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.512 -1.310 6.650 1.00 0.00 H new ATOM 507 N GLN A 33 -2.360 4.043 10.958 1.00 0.00 N ATOM 508 CA GLN A 33 -2.494 4.842 12.177 1.00 0.00 C ATOM 509 C GLN A 33 -3.248 6.140 11.903 1.00 0.00 C ATOM 510 O GLN A 33 -4.147 6.513 12.660 1.00 0.00 O ATOM 511 CB GLN A 33 -1.117 5.125 12.790 1.00 0.00 C ATOM 512 CG GLN A 33 -0.845 6.598 13.093 1.00 0.00 C ATOM 513 CD GLN A 33 0.134 6.798 14.233 1.00 0.00 C ATOM 514 OE1 GLN A 33 -0.257 7.136 15.348 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.413 6.592 13.961 1.00 0.00 N ATOM 0 H GLN A 33 -1.399 3.827 10.693 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.076 4.267 12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.021 4.554 13.714 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.349 4.760 12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.455 7.081 12.197 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.785 7.092 13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.696 6.312 13.022 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.115 6.713 14.691 1.00 0.00 H new ATOM 524 N ASN A 34 -2.896 6.815 10.814 1.00 0.00 N ATOM 525 CA ASN A 34 -3.567 8.059 10.455 1.00 0.00 C ATOM 526 C ASN A 34 -5.023 7.786 10.093 1.00 0.00 C ATOM 527 O ASN A 34 -5.932 8.411 10.646 1.00 0.00 O ATOM 528 CB ASN A 34 -2.833 8.754 9.306 1.00 0.00 C ATOM 529 CG ASN A 34 -1.449 9.222 9.705 1.00 0.00 C ATOM 530 OD1 ASN A 34 -1.188 9.507 10.871 1.00 0.00 O ATOM 531 ND2 ASN A 34 -0.548 9.296 8.738 1.00 0.00 N ATOM 0 H ASN A 34 -2.159 6.526 10.171 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.550 8.729 11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.753 8.069 8.462 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.419 9.608 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.403 9.599 8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.805 9.050 7.782 1.00 0.00 H new ATOM 538 N GLU A 35 -5.246 6.821 9.200 1.00 0.00 N ATOM 539 CA GLU A 35 -6.601 6.448 8.810 1.00 0.00 C ATOM 540 C GLU A 35 -7.337 5.840 10.004 1.00 0.00 C ATOM 541 O GLU A 35 -8.530 6.052 10.175 1.00 0.00 O ATOM 542 CB GLU A 35 -6.585 5.476 7.623 1.00 0.00 C ATOM 543 CG GLU A 35 -7.311 6.006 6.388 1.00 0.00 C ATOM 544 CD GLU A 35 -6.948 7.441 6.034 1.00 0.00 C ATOM 545 OE1 GLU A 35 -5.796 7.854 6.295 1.00 0.00 O ATOM 546 OE2 GLU A 35 -7.819 8.153 5.491 1.00 0.00 O ATOM 0 H GLU A 35 -4.510 6.288 8.737 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.131 7.346 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.551 5.255 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.044 4.536 7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.082 5.362 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.386 5.943 6.555 1.00 0.00 H new ATOM 553 N ALA A 36 -6.609 5.124 10.862 1.00 0.00 N ATOM 554 CA ALA A 36 -7.189 4.540 12.067 1.00 0.00 C ATOM 555 C ALA A 36 -7.720 5.665 12.938 1.00 0.00 C ATOM 556 O ALA A 36 -8.848 5.617 13.436 1.00 0.00 O ATOM 557 CB ALA A 36 -6.149 3.717 12.822 1.00 0.00 C ATOM 0 H ALA A 36 -5.614 4.935 10.742 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.003 3.868 11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.602 3.291 13.717 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.786 2.914 12.181 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.315 4.358 13.108 1.00 0.00 H new ATOM 563 N ARG A 37 -6.901 6.706 13.073 1.00 0.00 N ATOM 564 CA ARG A 37 -7.283 7.887 13.827 1.00 0.00 C ATOM 565 C ARG A 37 -8.430 8.590 13.134 1.00 0.00 C ATOM 566 O ARG A 37 -9.445 8.931 13.744 1.00 0.00 O ATOM 567 CB ARG A 37 -6.128 8.871 13.892 1.00 0.00 C ATOM 568 CG ARG A 37 -5.543 9.050 15.276 1.00 0.00 C ATOM 569 CD ARG A 37 -6.551 9.668 16.228 1.00 0.00 C ATOM 570 NE ARG A 37 -6.093 9.610 17.618 1.00 0.00 N ATOM 571 CZ ARG A 37 -6.886 9.749 18.672 1.00 0.00 C ATOM 572 NH1 ARG A 37 -8.185 9.919 18.512 1.00 0.00 N ATOM 573 NH2 ARG A 37 -6.379 9.711 19.889 1.00 0.00 N ATOM 0 H ARG A 37 -5.967 6.751 12.667 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.568 7.566 14.829 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.340 8.535 13.218 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.469 9.839 13.526 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.219 8.084 15.663 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.658 9.684 15.219 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.728 10.706 15.947 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.504 9.147 16.137 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.099 9.452 17.786 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.584 9.944 17.574 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.790 10.025 19.327 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.377 9.575 20.020 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.989 9.818 20.699 1.00 0.00 H new ATOM 587 N ARG A 38 -8.213 8.842 11.849 1.00 0.00 N ATOM 588 CA ARG A 38 -9.170 9.553 11.027 1.00 0.00 C ATOM 589 C ARG A 38 -10.504 8.814 10.862 1.00 0.00 C ATOM 590 O ARG A 38 -11.541 9.462 10.790 1.00 0.00 O ATOM 591 CB ARG A 38 -8.563 9.868 9.654 1.00 0.00 C ATOM 592 CG ARG A 38 -8.604 11.346 9.294 1.00 0.00 C ATOM 593 CD ARG A 38 -8.330 12.228 10.505 1.00 0.00 C ATOM 594 NE ARG A 38 -8.115 13.626 10.133 1.00 0.00 N ATOM 595 CZ ARG A 38 -9.062 14.424 9.656 1.00 0.00 C ATOM 596 NH1 ARG A 38 -10.295 13.984 9.487 1.00 0.00 N ATOM 597 NH2 ARG A 38 -8.772 15.670 9.352 1.00 0.00 N ATOM 0 H ARG A 38 -7.368 8.558 11.353 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.396 10.481 11.553 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.528 9.527 9.637 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.098 9.302 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.866 11.552 8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.581 11.592 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.170 12.163 11.197 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.452 11.855 11.033 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.178 14.012 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.529 13.020 9.724 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.013 14.608 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.823 16.019 9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.496 16.287 8.985 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.423 -9.741 -11.364 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.364 -8.957 -10.126 1.00 0.00 C ATOM 1186 C LYS B 102 -3.051 -9.193 -9.383 1.00 0.00 C ATOM 1187 O LYS B 102 -2.437 -10.253 -9.517 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.544 -9.304 -9.213 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.904 -8.970 -9.812 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.182 -7.474 -9.766 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.145 -7.049 -10.863 1.00 0.00 C ATOM 1192 NZ LYS B 102 -7.643 -5.862 -11.613 1.00 0.00 N ATOM 0 HA LYS B 102 -4.421 -7.904 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.511 -10.369 -8.981 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.431 -8.769 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.943 -9.317 -10.845 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.683 -9.503 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.598 -7.211 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.246 -6.926 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.297 -7.878 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.116 -6.818 -10.425 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.920 -5.940 -12.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.052 -4.996 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -6.606 -5.820 -11.543 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.628 -8.211 -8.588 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.392 -8.341 -7.827 1.00 0.00 C ATOM 1208 C GLN B 103 -1.636 -8.203 -6.340 1.00 0.00 C ATOM 1209 O GLN B 103 -2.231 -7.245 -5.875 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.338 -7.323 -8.302 1.00 0.00 C ATOM 1211 CG GLN B 103 0.850 -7.200 -7.357 1.00 0.00 C ATOM 1212 CD GLN B 103 1.858 -8.328 -7.498 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.665 -9.260 -8.272 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.944 -8.244 -6.746 1.00 0.00 N ATOM 0 H GLN B 103 -3.119 -7.327 -8.456 1.00 0.00 H new ATOM 0 HA GLN B 103 -1.005 -9.344 -8.008 1.00 0.00 H new ATOM 0 HB2 GLN B 103 0.021 -7.615 -9.289 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -0.810 -6.346 -8.411 1.00 0.00 H new ATOM 0 HG2 GLN B 103 1.352 -6.250 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.486 -7.176 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.067 -7.452 -6.115 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.658 -8.971 -6.798 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.190 -9.193 -5.596 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.379 -9.190 -4.164 1.00 0.00 C ATOM 1225 C ARG B 104 -0.307 -8.386 -3.441 1.00 0.00 C ATOM 1226 O ARG B 104 0.868 -8.757 -3.435 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.387 -10.620 -3.633 1.00 0.00 C ATOM 1228 CG ARG B 104 -2.346 -10.818 -2.481 1.00 0.00 C ATOM 1229 CD ARG B 104 -2.859 -12.244 -2.435 1.00 0.00 C ATOM 1230 NE ARG B 104 -4.301 -12.294 -2.672 1.00 0.00 N ATOM 1231 CZ ARG B 104 -4.920 -13.225 -3.384 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.258 -14.242 -3.894 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -6.218 -13.141 -3.572 1.00 0.00 N ATOM 0 H ARG B 104 -0.695 -10.008 -5.960 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.340 -8.714 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.654 -11.300 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.381 -10.887 -3.311 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.846 -10.578 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -3.185 -10.130 -2.580 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -2.343 -12.843 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -2.632 -12.684 -1.464 1.00 0.00 H new ATOM 0 HE ARG B 104 -4.873 -11.558 -2.259 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -3.252 -14.323 -3.744 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -4.751 -14.949 -4.439 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -6.742 -12.363 -3.171 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -6.701 -13.854 -4.119 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.734 -7.320 -2.780 1.00 0.00 N ATOM 1248 CA ILE B 105 0.167 -6.511 -1.984 1.00 0.00 C ATOM 1249 C ILE B 105 0.081 -7.013 -0.576 1.00 0.00 C ATOM 1250 O ILE B 105 -1.000 -7.057 -0.039 1.00 0.00 O ATOM 1251 CB ILE B 105 -0.212 -5.012 -2.002 1.00 0.00 C ATOM 1252 CG1 ILE B 105 0.901 -4.233 -2.630 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.500 -4.456 -0.607 1.00 0.00 C ATOM 1254 CD1 ILE B 105 2.250 -4.483 -1.984 1.00 0.00 C ATOM 0 H ILE B 105 -1.702 -6.998 -2.782 1.00 0.00 H new ATOM 0 HA ILE B 105 1.172 -6.594 -2.397 1.00 0.00 H new ATOM 0 HB ILE B 105 -1.130 -4.914 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE B 105 0.960 -4.487 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE B 105 0.669 -3.170 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.760 -3.400 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -1.331 -5.003 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE B 105 0.385 -4.567 0.019 1.00 0.00 H new ATOM 0 HD11 ILE B 105 3.011 -3.887 -2.488 1.00 0.00 H new ATOM 0 HD12 ILE B 105 2.207 -4.202 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE B 105 2.503 -5.540 -2.067 1.00 0.00 H new ATOM 1266 N THR B 106 1.181 -7.408 0.024 1.00 0.00 N ATOM 1267 CA THR B 106 1.107 -7.907 1.384 1.00 0.00 C ATOM 1268 C THR B 106 2.152 -7.250 2.277 1.00 0.00 C ATOM 1269 O THR B 106 3.346 -7.526 2.167 1.00 0.00 O ATOM 1270 CB THR B 106 1.179 -9.456 1.424 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.312 -9.926 2.147 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.207 -10.108 0.058 1.00 0.00 C ATOM 0 H THR B 106 2.113 -7.396 -0.390 1.00 0.00 H new ATOM 0 HA THR B 106 0.134 -7.629 1.789 1.00 0.00 H new ATOM 0 HB THR B 106 0.256 -9.742 1.929 1.00 0.00 H new ATOM 0 HG1 THR B 106 3.072 -9.329 1.988 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.258 -11.191 0.173 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.303 -9.843 -0.490 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.081 -9.760 -0.493 1.00 0.00 H new ATOM 1280 N VAL B 107 1.674 -6.437 3.220 1.00 0.00 N ATOM 1281 CA VAL B 107 2.537 -5.801 4.214 1.00 0.00 C ATOM 1282 C VAL B 107 2.392 -6.587 5.507 1.00 0.00 C ATOM 1283 O VAL B 107 1.415 -6.409 6.236 1.00 0.00 O ATOM 1284 CB VAL B 107 2.238 -4.273 4.450 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.828 -3.882 4.015 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.474 -3.852 5.915 1.00 0.00 C ATOM 0 H VAL B 107 0.686 -6.203 3.316 1.00 0.00 H new ATOM 0 HA VAL B 107 3.560 -5.822 3.839 1.00 0.00 H new ATOM 0 HB VAL B 107 2.947 -3.734 3.821 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.672 -2.819 4.199 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.705 -4.088 2.952 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.099 -4.459 4.584 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.255 -2.790 6.028 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.821 -4.429 6.569 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.514 -4.038 6.184 1.00 0.00 H new ATOM 1296 N THR B 108 3.323 -7.489 5.779 1.00 0.00 N ATOM 1297 CA THR B 108 3.239 -8.294 6.978 1.00 0.00 C ATOM 1298 C THR B 108 3.452 -7.422 8.199 1.00 0.00 C ATOM 1299 O THR B 108 4.588 -7.177 8.611 1.00 0.00 O ATOM 1300 CB THR B 108 4.253 -9.424 6.940 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.578 -8.932 6.929 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.091 -10.321 5.757 1.00 0.00 C ATOM 0 H THR B 108 4.135 -7.677 5.191 1.00 0.00 H new ATOM 0 HA THR B 108 2.245 -8.739 7.033 1.00 0.00 H new ATOM 0 HB THR B 108 4.064 -9.999 7.847 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.643 -8.154 7.521 1.00 0.00 H new ATOM 0 HG21 THR B 108 4.846 -11.107 5.790 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.098 -10.771 5.775 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.211 -9.741 4.842 1.00 0.00 H new ATOM 1310 N VAL B 109 2.350 -6.943 8.759 1.00 0.00 N ATOM 1311 CA VAL B 109 2.406 -6.079 9.922 1.00 0.00 C ATOM 1312 C VAL B 109 2.597 -6.888 11.199 1.00 0.00 C ATOM 1313 O VAL B 109 3.575 -7.616 11.290 1.00 0.00 O ATOM 1314 CB VAL B 109 1.175 -5.163 10.011 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.415 -4.053 11.022 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.873 -4.572 8.646 1.00 0.00 C ATOM 0 H VAL B 109 1.407 -7.140 8.424 1.00 0.00 H new ATOM 0 HA VAL B 109 3.276 -5.432 9.808 1.00 0.00 H new ATOM 0 HB VAL B 109 0.319 -5.753 10.340 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.535 -3.412 11.074 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.605 -4.489 12.003 1.00 0.00 H new ATOM 0 HG13 VAL B 109 2.277 -3.461 10.715 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.000 -3.924 8.715 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.730 -3.991 8.303 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.673 -5.376 7.938 1.00 0.00 H new ATOM 1326 N ASP B 110 1.723 -6.717 12.212 1.00 0.00 N ATOM 1327 CA ASP B 110 1.879 -7.398 13.505 1.00 0.00 C ATOM 1328 C ASP B 110 2.861 -6.593 14.375 1.00 0.00 C ATOM 1329 O ASP B 110 2.919 -6.757 15.594 1.00 0.00 O ATOM 1330 CB ASP B 110 2.316 -8.863 13.322 1.00 0.00 C ATOM 1331 CG ASP B 110 2.845 -9.505 14.590 1.00 0.00 C ATOM 1332 OD1 ASP B 110 2.024 -9.959 15.413 1.00 0.00 O ATOM 1333 OD2 ASP B 110 4.082 -9.574 14.741 1.00 0.00 O ATOM 0 H ASP B 110 0.903 -6.112 12.155 1.00 0.00 H new ATOM 0 HA ASP B 110 0.917 -7.439 14.016 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.468 -9.443 12.958 1.00 0.00 H new ATOM 0 HB3 ASP B 110 3.087 -8.909 12.553 1.00 0.00 H new ATOM 1338 N SER B 111 3.593 -5.681 13.722 1.00 0.00 N ATOM 1339 CA SER B 111 4.537 -4.795 14.383 1.00 0.00 C ATOM 1340 C SER B 111 4.211 -3.335 14.045 1.00 0.00 C ATOM 1341 O SER B 111 3.982 -2.533 14.946 1.00 0.00 O ATOM 1342 CB SER B 111 5.974 -5.128 13.963 1.00 0.00 C ATOM 1343 OG SER B 111 6.866 -5.017 15.062 1.00 0.00 O ATOM 0 H SER B 111 3.540 -5.543 12.713 1.00 0.00 H new ATOM 0 HA SER B 111 4.452 -4.937 15.460 1.00 0.00 H new ATOM 0 HB2 SER B 111 6.013 -6.140 13.560 1.00 0.00 H new ATOM 0 HB3 SER B 111 6.289 -4.455 13.166 1.00 0.00 H new ATOM 0 HG SER B 111 7.775 -5.236 14.769 1.00 0.00 H new ATOM 1349 N ASP B 112 4.234 -2.996 12.740 1.00 0.00 N ATOM 1350 CA ASP B 112 3.981 -1.625 12.267 1.00 0.00 C ATOM 1351 C ASP B 112 2.742 -0.961 12.925 1.00 0.00 C ATOM 1352 O ASP B 112 2.850 -0.431 14.032 1.00 0.00 O ATOM 1353 CB ASP B 112 3.889 -1.628 10.734 1.00 0.00 C ATOM 1354 CG ASP B 112 4.899 -2.555 10.092 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.640 -3.776 10.072 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.943 -2.068 9.619 1.00 0.00 O ATOM 0 H ASP B 112 4.427 -3.661 11.991 1.00 0.00 H new ATOM 0 HA ASP B 112 4.822 -1.005 12.577 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.885 -1.928 10.435 1.00 0.00 H new ATOM 0 HB3 ASP B 112 4.044 -0.615 10.362 1.00 0.00 H new ATOM 1361 N SER B 113 1.578 -0.951 12.253 1.00 0.00 N ATOM 1362 CA SER B 113 0.365 -0.319 12.807 1.00 0.00 C ATOM 1363 C SER B 113 -0.841 -0.554 11.874 1.00 0.00 C ATOM 1364 O SER B 113 -1.653 0.339 11.645 1.00 0.00 O ATOM 1365 CB SER B 113 0.603 1.186 13.003 1.00 0.00 C ATOM 1366 OG SER B 113 -0.601 1.867 13.325 1.00 0.00 O ATOM 0 H SER B 113 1.450 -1.370 11.332 1.00 0.00 H new ATOM 0 HA SER B 113 0.144 -0.771 13.774 1.00 0.00 H new ATOM 0 HB2 SER B 113 1.332 1.339 13.798 1.00 0.00 H new ATOM 0 HB3 SER B 113 1.029 1.609 12.093 1.00 0.00 H new ATOM 0 HG SER B 113 -1.246 1.754 12.596 1.00 0.00 H new ATOM 1372 N TYR B 114 -0.923 -1.773 11.337 1.00 0.00 N ATOM 1373 CA TYR B 114 -1.983 -2.193 10.405 1.00 0.00 C ATOM 1374 C TYR B 114 -3.276 -2.599 11.102 1.00 0.00 C ATOM 1375 O TYR B 114 -4.364 -2.220 10.667 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.458 -3.347 9.580 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.437 -4.464 9.380 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.312 -4.454 8.310 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.462 -5.535 10.255 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.194 -5.499 8.112 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -3.330 -6.582 10.072 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.195 -6.567 8.996 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.057 -7.623 8.804 1.00 0.00 O ATOM 0 H TYR B 114 -0.247 -2.510 11.537 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.234 -1.337 9.778 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.152 -2.970 8.604 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.565 -3.745 10.062 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.306 -3.621 7.622 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.786 -5.547 11.097 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.877 -5.484 7.276 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.336 -7.411 10.764 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.772 -8.382 9.355 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.159 -3.413 12.147 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.333 -3.922 12.848 1.00 0.00 C ATOM 1395 C GLN B 115 -5.338 -2.811 13.203 1.00 0.00 C ATOM 1396 O GLN B 115 -6.537 -3.016 13.054 1.00 0.00 O ATOM 1397 CB GLN B 115 -3.900 -4.709 14.090 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.900 -5.824 13.787 1.00 0.00 C ATOM 1399 CD GLN B 115 -1.673 -5.808 14.685 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -1.322 -6.820 15.280 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -1.010 -4.665 14.786 1.00 0.00 N ATOM 0 H GLN B 115 -2.268 -3.733 12.526 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.858 -4.595 12.171 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -3.458 -4.021 14.810 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -4.782 -5.141 14.562 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -3.401 -6.787 13.889 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.580 -5.740 12.748 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.331 -3.842 14.276 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -0.178 -4.608 15.374 1.00 0.00 H new ATOM 1410 N LEU B 116 -4.869 -1.639 13.645 1.00 0.00 N ATOM 1411 CA LEU B 116 -5.778 -0.519 13.985 1.00 0.00 C ATOM 1412 C LEU B 116 -6.742 -0.169 12.825 1.00 0.00 C ATOM 1413 O LEU B 116 -7.836 0.341 13.052 1.00 0.00 O ATOM 1414 CB LEU B 116 -4.970 0.723 14.385 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.388 1.372 15.709 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.613 2.658 15.947 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -6.886 1.642 15.727 1.00 0.00 C ATOM 0 H LEU B 116 -3.879 -1.434 13.777 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.386 -0.847 14.828 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -3.917 0.447 14.450 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.057 1.465 13.591 1.00 0.00 H new ATOM 0 HG LEU B 116 -5.154 0.677 16.515 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -4.926 3.102 16.892 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -3.546 2.438 15.985 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.811 3.358 15.135 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.161 2.103 16.676 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.144 2.314 14.909 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -7.426 0.703 15.610 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.333 -0.482 11.598 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.180 -0.227 10.420 1.00 0.00 C ATOM 1431 C LEU B 117 -8.274 -1.277 10.321 1.00 0.00 C ATOM 1432 O LEU B 117 -9.469 -0.976 10.380 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.387 -0.248 9.123 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.502 1.019 8.271 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -7.761 0.961 7.427 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -6.512 2.263 9.145 1.00 0.00 C ATOM 0 H LEU B 117 -5.431 -0.909 11.387 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.606 0.767 10.554 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.336 -0.413 9.360 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.717 -1.099 8.527 1.00 0.00 H new ATOM 0 HG LEU B 117 -5.633 1.073 7.615 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.836 1.866 6.823 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -7.720 0.090 6.772 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -8.632 0.885 8.078 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.594 3.149 8.516 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.361 2.222 9.827 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.587 2.311 9.720 1.00 0.00 H new ATOM 1448 N LYS B 118 -7.833 -2.517 10.195 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.727 -3.659 10.106 1.00 0.00 C ATOM 1450 C LYS B 118 -9.545 -3.786 11.382 1.00 0.00 C ATOM 1451 O LYS B 118 -10.650 -4.328 11.382 1.00 0.00 O ATOM 1452 CB LYS B 118 -7.914 -4.920 9.858 1.00 0.00 C ATOM 1453 CG LYS B 118 -6.766 -5.054 10.832 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.505 -6.516 11.168 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.249 -6.728 12.647 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.195 -8.179 12.987 1.00 0.00 N ATOM 0 H LYS B 118 -6.843 -2.761 10.151 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.417 -3.516 9.275 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.563 -5.792 9.940 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.526 -4.907 8.840 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -5.867 -4.609 10.404 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -6.992 -4.502 11.744 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.361 -7.116 10.860 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -5.646 -6.870 10.598 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.309 -6.252 12.927 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -7.036 -6.246 13.227 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -6.019 -8.290 14.006 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.101 -8.627 12.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -5.428 -8.633 12.451 1.00 0.00 H new ATOM 1470 N ALA B 119 -8.983 -3.251 12.461 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.632 -3.255 13.762 1.00 0.00 C ATOM 1472 C ALA B 119 -11.021 -2.627 13.660 1.00 0.00 C ATOM 1473 O ALA B 119 -11.910 -2.930 14.455 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.780 -2.521 14.788 1.00 0.00 C ATOM 0 H ALA B 119 -8.066 -2.804 12.456 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.744 -4.287 14.093 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.283 -2.535 15.755 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.811 -3.013 14.875 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.635 -1.489 14.469 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.202 -1.781 12.643 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.478 -1.144 12.386 1.00 0.00 C ATOM 1482 C TYR B 120 -13.306 -2.059 11.503 1.00 0.00 C ATOM 1483 O TYR B 120 -14.452 -2.359 11.834 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.290 0.192 11.672 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.780 1.306 12.545 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.644 2.034 13.347 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.438 1.648 12.539 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.184 3.074 14.127 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -9.969 2.689 13.310 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.844 3.400 14.104 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.378 4.451 14.866 1.00 0.00 O ATOM 0 H TYR B 120 -10.468 -1.525 11.983 1.00 0.00 H new ATOM 0 HA TYR B 120 -12.978 -0.961 13.337 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -11.596 0.051 10.844 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -13.244 0.495 11.240 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.694 1.783 13.361 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -9.749 1.091 11.921 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.868 3.629 14.751 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -8.920 2.947 13.293 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.067 5.169 14.277 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.684 -2.505 10.386 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.324 -3.421 9.417 1.00 0.00 C ATOM 1503 C ASP B 121 -13.027 -2.963 7.997 1.00 0.00 C ATOM 1504 O ASP B 121 -13.923 -2.711 7.189 1.00 0.00 O ATOM 1505 CB ASP B 121 -14.840 -3.537 9.631 1.00 0.00 C ATOM 1506 CG ASP B 121 -15.493 -4.542 8.698 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -14.905 -5.623 8.480 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.594 -4.250 8.191 1.00 0.00 O ATOM 0 H ASP B 121 -11.731 -2.241 10.134 1.00 0.00 H new ATOM 0 HA ASP B 121 -12.902 -4.413 9.580 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.035 -3.827 10.663 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.299 -2.559 9.483 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.748 -2.816 7.725 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.282 -2.350 6.447 1.00 0.00 C ATOM 1515 C VAL B 122 -9.870 -2.852 6.161 1.00 0.00 C ATOM 1516 O VAL B 122 -8.879 -2.176 6.453 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.351 -0.816 6.449 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.516 -0.211 7.572 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -10.965 -0.240 5.094 1.00 0.00 C ATOM 0 H VAL B 122 -11.003 -3.019 8.391 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.913 -2.742 5.650 1.00 0.00 H new ATOM 0 HB VAL B 122 -12.389 -0.542 6.639 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.593 0.876 7.537 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -10.884 -0.570 8.533 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -9.474 -0.505 7.450 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -11.025 0.848 5.131 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -9.946 -0.539 4.848 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -11.647 -0.615 4.331 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.778 -4.055 5.581 1.00 0.00 N ATOM 1530 CA ASN B 123 -8.478 -4.648 5.250 1.00 0.00 C ATOM 1531 C ASN B 123 -7.823 -3.902 4.091 1.00 0.00 C ATOM 1532 O ASN B 123 -7.393 -4.505 3.110 1.00 0.00 O ATOM 1533 CB ASN B 123 -8.570 -6.148 4.918 1.00 0.00 C ATOM 1534 CG ASN B 123 -9.983 -6.710 4.900 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -10.949 -6.012 4.596 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -10.108 -7.989 5.222 1.00 0.00 N ATOM 0 H ASN B 123 -10.582 -4.632 5.333 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.862 -4.551 6.144 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -8.113 -6.319 3.943 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -7.982 -6.704 5.648 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -11.029 -8.427 5.223 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -9.283 -8.536 5.469 1.00 0.00 H new ATOM 1543 N ILE B 124 -7.732 -2.589 4.271 1.00 0.00 N ATOM 1544 CA ILE B 124 -7.122 -1.616 3.376 1.00 0.00 C ATOM 1545 C ILE B 124 -7.104 -1.889 1.860 1.00 0.00 C ATOM 1546 O ILE B 124 -6.400 -1.191 1.125 1.00 0.00 O ATOM 1547 CB ILE B 124 -5.726 -1.318 3.853 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -5.095 -2.545 4.504 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.751 -0.143 4.820 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.903 -3.660 3.541 1.00 0.00 C ATOM 0 H ILE B 124 -8.111 -2.146 5.108 1.00 0.00 H new ATOM 0 HA ILE B 124 -7.803 -0.768 3.445 1.00 0.00 H new ATOM 0 HB ILE B 124 -5.113 -1.052 2.992 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -4.132 -2.270 4.934 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -5.727 -2.883 5.326 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -4.738 0.068 5.162 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -6.154 0.735 4.315 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -6.379 -0.390 5.676 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.451 -4.509 4.053 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.868 -3.956 3.130 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.249 -3.334 2.732 1.00 0.00 H new ATOM 1562 N SER B 125 -7.830 -2.887 1.410 1.00 0.00 N ATOM 1563 CA SER B 125 -7.868 -3.265 -0.005 1.00 0.00 C ATOM 1564 C SER B 125 -7.817 -2.024 -0.904 1.00 0.00 C ATOM 1565 O SER B 125 -6.864 -1.849 -1.677 1.00 0.00 O ATOM 1566 CB SER B 125 -9.137 -4.078 -0.270 1.00 0.00 C ATOM 1567 OG SER B 125 -10.226 -3.250 -0.650 1.00 0.00 O ATOM 0 H SER B 125 -8.417 -3.468 2.008 1.00 0.00 H new ATOM 0 HA SER B 125 -6.994 -3.873 -0.239 1.00 0.00 H new ATOM 0 HB2 SER B 125 -8.943 -4.807 -1.057 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.403 -4.639 0.626 1.00 0.00 H new ATOM 0 HG SER B 125 -10.672 -2.907 0.153 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.810 -1.153 -0.771 1.00 0.00 N ATOM 1574 CA GLY B 126 -8.828 0.071 -1.551 1.00 0.00 C ATOM 1575 C GLY B 126 -7.998 1.172 -0.914 1.00 0.00 C ATOM 1576 O GLY B 126 -7.601 2.114 -1.583 1.00 0.00 O ATOM 0 H GLY B 126 -9.602 -1.271 -0.139 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.449 -0.133 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -9.857 0.413 -1.663 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.719 1.050 0.384 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.932 2.042 1.091 1.00 0.00 C ATOM 1582 C LEU B 127 -5.496 2.043 0.595 1.00 0.00 C ATOM 1583 O LEU B 127 -4.994 3.072 0.146 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.979 1.782 2.600 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.133 2.728 3.458 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -4.668 2.324 3.408 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.307 4.164 2.997 1.00 0.00 C ATOM 0 H LEU B 127 -8.030 0.269 0.962 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.360 3.025 0.894 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -8.016 1.849 2.931 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -6.650 0.759 2.785 1.00 0.00 H new ATOM 0 HG LEU B 127 -6.475 2.656 4.491 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.081 3.006 4.023 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -4.558 1.308 3.787 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.314 2.368 2.378 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -5.699 4.822 3.618 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.992 4.253 1.957 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.355 4.450 3.084 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.838 0.886 0.660 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.466 0.785 0.196 1.00 0.00 C ATOM 1601 C VAL B 128 -3.380 1.169 -1.272 1.00 0.00 C ATOM 1602 O VAL B 128 -2.821 2.195 -1.620 1.00 0.00 O ATOM 1603 CB VAL B 128 -2.905 -0.642 0.392 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -1.500 -0.765 -0.188 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.916 -1.013 1.866 1.00 0.00 C ATOM 0 H VAL B 128 -5.232 0.019 1.026 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.865 1.473 0.791 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.547 -1.339 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.131 -1.779 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -1.526 -0.545 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -0.837 -0.059 0.312 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.519 -2.020 1.991 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -2.299 -0.308 2.423 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.938 -0.977 2.243 1.00 0.00 H new ATOM 1615 N SER B 129 -3.947 0.334 -2.120 1.00 0.00 N ATOM 1616 CA SER B 129 -3.946 0.535 -3.559 1.00 0.00 C ATOM 1617 C SER B 129 -4.410 1.938 -4.022 1.00 0.00 C ATOM 1618 O SER B 129 -3.846 2.467 -4.976 1.00 0.00 O ATOM 1619 CB SER B 129 -4.812 -0.550 -4.189 1.00 0.00 C ATOM 1620 OG SER B 129 -6.112 -0.542 -3.620 1.00 0.00 O ATOM 0 H SER B 129 -4.429 -0.516 -1.827 1.00 0.00 H new ATOM 0 HA SER B 129 -2.910 0.468 -3.891 1.00 0.00 H new ATOM 0 HB2 SER B 129 -4.879 -0.391 -5.265 1.00 0.00 H new ATOM 0 HB3 SER B 129 -4.349 -1.525 -4.039 1.00 0.00 H new ATOM 0 HG SER B 129 -6.196 -1.285 -2.986 1.00 0.00 H new ATOM 1626 N THR B 130 -5.418 2.559 -3.388 1.00 0.00 N ATOM 1627 CA THR B 130 -5.862 3.886 -3.846 1.00 0.00 C ATOM 1628 C THR B 130 -4.986 4.986 -3.285 1.00 0.00 C ATOM 1629 O THR B 130 -4.520 5.849 -4.033 1.00 0.00 O ATOM 1630 CB THR B 130 -7.336 4.167 -3.514 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.057 4.442 -4.697 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.552 5.343 -2.578 1.00 0.00 C ATOM 0 H THR B 130 -5.925 2.182 -2.587 1.00 0.00 H new ATOM 0 HA THR B 130 -5.767 3.876 -4.932 1.00 0.00 H new ATOM 0 HB THR B 130 -7.687 3.265 -3.013 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.002 3.672 -5.300 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.619 5.472 -2.396 1.00 0.00 H new ATOM 0 HG22 THR B 130 -7.043 5.154 -1.633 1.00 0.00 H new ATOM 0 HG23 THR B 130 -7.149 6.248 -3.032 1.00 0.00 H new ATOM 1640 N THR B 131 -4.762 4.972 -1.970 1.00 0.00 N ATOM 1641 CA THR B 131 -3.941 6.004 -1.356 1.00 0.00 C ATOM 1642 C THR B 131 -2.616 6.124 -2.097 1.00 0.00 C ATOM 1643 O THR B 131 -2.042 7.212 -2.199 1.00 0.00 O ATOM 1644 CB THR B 131 -3.716 5.749 0.143 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.025 6.912 0.890 1.00 0.00 O ATOM 1646 CG2 THR B 131 -2.299 5.351 0.505 1.00 0.00 C ATOM 0 H THR B 131 -5.130 4.272 -1.326 1.00 0.00 H new ATOM 0 HA THR B 131 -4.478 6.949 -1.435 1.00 0.00 H new ATOM 0 HB THR B 131 -4.374 4.914 0.384 1.00 0.00 H new ATOM 0 HG1 THR B 131 -3.880 6.737 1.843 1.00 0.00 H new ATOM 0 HG21 THR B 131 -2.230 5.191 1.581 1.00 0.00 H new ATOM 0 HG22 THR B 131 -2.035 4.431 -0.017 1.00 0.00 H new ATOM 0 HG23 THR B 131 -1.612 6.145 0.211 1.00 0.00 H new ATOM 1654 N MET B 132 -2.153 4.999 -2.637 1.00 0.00 N ATOM 1655 CA MET B 132 -0.920 4.966 -3.396 1.00 0.00 C ATOM 1656 C MET B 132 -1.005 5.863 -4.627 1.00 0.00 C ATOM 1657 O MET B 132 -0.135 6.677 -4.832 1.00 0.00 O ATOM 1658 CB MET B 132 -0.602 3.535 -3.785 1.00 0.00 C ATOM 1659 CG MET B 132 -0.490 2.627 -2.583 1.00 0.00 C ATOM 1660 SD MET B 132 1.181 2.457 -1.976 1.00 0.00 S ATOM 1661 CE MET B 132 1.291 0.687 -1.921 1.00 0.00 C ATOM 0 H MET B 132 -2.622 4.096 -2.558 1.00 0.00 H new ATOM 0 HA MET B 132 -0.113 5.351 -2.772 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.380 3.160 -4.450 1.00 0.00 H new ATOM 0 HB3 MET B 132 0.334 3.512 -4.344 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.121 3.015 -1.784 1.00 0.00 H new ATOM 0 HG3 MET B 132 -0.876 1.642 -2.844 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.338 0.389 -1.877 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.771 0.317 -1.037 1.00 0.00 H new ATOM 0 HE3 MET B 132 0.832 0.266 -2.815 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.054 5.730 -5.441 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.196 6.579 -6.639 1.00 0.00 C ATOM 1673 C GLN B 133 -2.011 8.055 -6.294 1.00 0.00 C ATOM 1674 O GLN B 133 -1.378 8.802 -7.045 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.563 6.346 -7.311 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.451 7.587 -7.442 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.999 7.779 -8.845 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -6.199 7.945 -9.035 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -4.120 7.769 -9.838 1.00 0.00 N ATOM 0 H GLN B 133 -2.808 5.057 -5.302 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.413 6.298 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.394 5.934 -8.306 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.105 5.591 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -5.282 7.508 -6.741 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.877 8.469 -7.158 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -3.129 7.628 -9.641 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -4.435 7.902 -10.799 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.559 8.465 -5.158 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.454 9.851 -4.715 1.00 0.00 C ATOM 1690 C ASN B 134 -1.016 10.202 -4.337 1.00 0.00 C ATOM 1691 O ASN B 134 -0.472 11.203 -4.811 1.00 0.00 O ATOM 1692 CB ASN B 134 -3.412 10.102 -3.538 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.646 10.888 -3.938 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.568 11.848 -4.696 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.796 10.481 -3.422 1.00 0.00 N ATOM 0 H ASN B 134 -3.081 7.858 -4.526 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.741 10.501 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.718 9.145 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.882 10.642 -2.754 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.660 10.972 -3.652 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -5.817 9.677 -2.795 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.391 9.362 -3.518 1.00 0.00 N ATOM 1703 CA GLU B 135 0.997 9.588 -3.119 1.00 0.00 C ATOM 1704 C GLU B 135 1.953 9.187 -4.248 1.00 0.00 C ATOM 1705 O GLU B 135 3.096 9.640 -4.298 1.00 0.00 O ATOM 1706 CB GLU B 135 1.308 8.826 -1.826 1.00 0.00 C ATOM 1707 CG GLU B 135 0.409 9.229 -0.662 1.00 0.00 C ATOM 1708 CD GLU B 135 0.404 10.726 -0.398 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -0.185 11.476 -1.208 1.00 0.00 O ATOM 1710 OE2 GLU B 135 0.987 11.149 0.621 1.00 0.00 O ATOM 0 H GLU B 135 -0.817 8.525 -3.120 1.00 0.00 H new ATOM 0 HA GLU B 135 1.140 10.651 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.200 7.757 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.348 8.999 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -0.610 8.900 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU B 135 0.737 8.709 0.238 1.00 0.00 H new ATOM 1717 N ALA B 136 1.452 8.372 -5.183 1.00 0.00 N ATOM 1718 CA ALA B 136 2.212 7.940 -6.347 1.00 0.00 C ATOM 1719 C ALA B 136 2.288 9.091 -7.326 1.00 0.00 C ATOM 1720 O ALA B 136 3.294 9.287 -7.999 1.00 0.00 O ATOM 1721 CB ALA B 136 1.563 6.729 -6.997 1.00 0.00 C ATOM 0 H ALA B 136 0.505 7.996 -5.148 1.00 0.00 H new ATOM 0 HA ALA B 136 3.216 7.649 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA B 136 2.148 6.424 -7.864 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.523 5.909 -6.280 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.552 6.984 -7.313 1.00 0.00 H new ATOM 1727 N ARG B 137 1.212 9.873 -7.383 1.00 0.00 N ATOM 1728 CA ARG B 137 1.185 11.037 -8.241 1.00 0.00 C ATOM 1729 C ARG B 137 1.950 12.172 -7.581 1.00 0.00 C ATOM 1730 O ARG B 137 2.862 12.762 -8.160 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.238 11.502 -8.460 1.00 0.00 C ATOM 1732 CG ARG B 137 -0.714 11.330 -9.884 1.00 0.00 C ATOM 1733 CD ARG B 137 -0.321 12.523 -10.736 1.00 0.00 C ATOM 1734 NE ARG B 137 1.048 12.410 -11.248 1.00 0.00 N ATOM 1735 CZ ARG B 137 1.605 13.270 -12.094 1.00 0.00 C ATOM 1736 NH1 ARG B 137 0.926 14.291 -12.569 1.00 0.00 N ATOM 1737 NH2 ARG B 137 2.852 13.107 -12.477 1.00 0.00 N ATOM 0 H ARG B 137 0.358 9.717 -6.847 1.00 0.00 H new ATOM 0 HA ARG B 137 1.637 10.767 -9.195 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -0.900 10.948 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.315 12.554 -8.184 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -0.287 10.420 -10.307 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -1.797 11.210 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -1.014 12.614 -11.573 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -0.412 13.435 -10.146 1.00 0.00 H new ATOM 0 HE ARG B 137 1.610 11.619 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -0.044 14.433 -12.289 1.00 0.00 H new ATOM 0 HH12 ARG B 137 1.370 14.941 -13.218 1.00 0.00 H new ATOM 0 HH21 ARG B 137 3.395 12.319 -12.125 1.00 0.00 H new ATOM 0 HH22 ARG B 137 3.277 13.769 -13.127 1.00 0.00 H new ATOM 1751 N ARG B 138 1.509 12.488 -6.369 1.00 0.00 N ATOM 1752 CA ARG B 138 2.070 13.582 -5.588 1.00 0.00 C ATOM 1753 C ARG B 138 3.553 13.396 -5.182 1.00 0.00 C ATOM 1754 O ARG B 138 4.193 14.370 -4.785 1.00 0.00 O ATOM 1755 CB ARG B 138 1.221 13.824 -4.334 1.00 0.00 C ATOM 1756 CG ARG B 138 1.019 15.299 -4.008 1.00 0.00 C ATOM 1757 CD ARG B 138 1.891 15.741 -2.842 1.00 0.00 C ATOM 1758 NE ARG B 138 2.346 17.130 -2.986 1.00 0.00 N ATOM 1759 CZ ARG B 138 1.568 18.197 -2.819 1.00 0.00 C ATOM 1760 NH1 ARG B 138 0.292 18.056 -2.523 1.00 0.00 N ATOM 1761 NH2 ARG B 138 2.073 19.408 -2.952 1.00 0.00 N ATOM 0 H ARG B 138 0.751 11.992 -5.900 1.00 0.00 H new ATOM 0 HA ARG B 138 2.047 14.449 -6.249 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.247 13.354 -4.469 1.00 0.00 H new ATOM 0 HB3 ARG B 138 1.696 13.335 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG B 138 1.252 15.901 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -0.029 15.479 -3.768 1.00 0.00 H new ATOM 0 HD2 ARG B 138 1.331 15.638 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG B 138 2.757 15.083 -2.768 1.00 0.00 H new ATOM 0 HE ARG B 138 3.324 17.288 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -0.108 17.123 -2.420 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -0.296 18.880 -2.397 1.00 0.00 H new ATOM 0 HH21 ARG B 138 3.059 19.527 -3.183 1.00 0.00 H new ATOM 0 HH22 ARG B 138 1.477 20.226 -2.824 1.00 0.00 H new