USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 838 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 Single : A 1 SER N :NH3+ 141:sc= 0.135 (180deg=0.00484) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0447 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00233 USER MOD Single : A 13 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 36:sc= 1.23 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 117:sc= 0.045 USER MOD Single : A 29 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000438) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc=-0.00933 (180deg=-0.0979) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 4:sc= 1.24 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.627 K(o=0.63,f=0) USER MOD Single : B 1 SER N :NH3+ 146:sc= 0.0498 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0.0476 USER MOD Single : B 3 SER OG : rot 180:sc= 0.00186 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ -168:sc=-0.00128 (180deg=-0.108) USER MOD Single : B 9 SER OG : rot 180:sc= 0.107 USER MOD Single : B 13 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 42:sc= 1.56 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot 87:sc= 0.0387 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ -169:sc= -0.0148 (180deg=-0.156) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 SER OG : rot 180:sc= 0.0219 USER MOD Single : B 44 TYR OH : rot 26:sc= 1.26 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.00014) USER MOD Single : B 51 ASN : amide:sc= 0.227 X(o=0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.149 14.899 -28.123 1.00 0.00 N ATOM 2 CA SER A 1 20.925 14.269 -28.640 1.00 0.00 C ATOM 3 C SER A 1 20.307 13.346 -27.589 1.00 0.00 C ATOM 4 O SER A 1 20.991 12.898 -26.669 1.00 0.00 O ATOM 5 CB SER A 1 21.241 13.523 -29.938 1.00 0.00 C ATOM 6 OG SER A 1 21.930 14.393 -30.820 1.00 0.00 O ATOM 0 H1 SER A 1 22.862 14.945 -28.879 1.00 0.00 H new ATOM 0 H2 SER A 1 21.932 15.861 -27.793 1.00 0.00 H new ATOM 0 H3 SER A 1 22.521 14.337 -27.331 1.00 0.00 H new ATOM 0 HA SER A 1 20.187 15.040 -28.862 1.00 0.00 H new ATOM 0 HB2 SER A 1 21.849 12.643 -29.727 1.00 0.00 H new ATOM 0 HB3 SER A 1 20.320 13.170 -30.402 1.00 0.00 H new ATOM 0 HG SER A 1 22.136 13.919 -31.652 1.00 0.00 H new ATOM 12 N ASP A 2 19.012 13.057 -27.705 1.00 0.00 N ATOM 13 CA ASP A 2 18.216 12.191 -26.824 1.00 0.00 C ATOM 14 C ASP A 2 17.294 11.332 -27.711 1.00 0.00 C ATOM 15 O ASP A 2 17.480 11.334 -28.933 1.00 0.00 O ATOM 16 CB ASP A 2 17.440 13.056 -25.815 1.00 0.00 C ATOM 17 CG ASP A 2 17.180 12.350 -24.482 1.00 0.00 C ATOM 18 OD1 ASP A 2 17.249 11.103 -24.397 1.00 0.00 O ATOM 19 OD2 ASP A 2 17.004 13.069 -23.470 1.00 0.00 O ATOM 0 H ASP A 2 18.451 13.444 -28.464 1.00 0.00 H new ATOM 0 HA ASP A 2 18.848 11.522 -26.239 1.00 0.00 H new ATOM 0 HB2 ASP A 2 17.999 13.973 -25.629 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.486 13.347 -26.255 1.00 0.00 H new ATOM 24 N SER A 3 16.350 10.560 -27.166 1.00 0.00 N ATOM 25 CA SER A 3 15.431 9.726 -27.953 1.00 0.00 C ATOM 26 C SER A 3 13.977 9.982 -27.550 1.00 0.00 C ATOM 27 O SER A 3 13.702 10.688 -26.577 1.00 0.00 O ATOM 28 CB SER A 3 15.788 8.237 -27.821 1.00 0.00 C ATOM 29 OG SER A 3 17.053 7.965 -28.389 1.00 0.00 O ATOM 0 H SER A 3 16.199 10.494 -26.159 1.00 0.00 H new ATOM 0 HA SER A 3 15.541 10.003 -29.001 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.789 7.952 -26.769 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.027 7.632 -28.314 1.00 0.00 H new ATOM 0 HG SER A 3 17.258 7.012 -28.291 1.00 0.00 H new ATOM 35 N ALA A 4 13.034 9.427 -28.319 1.00 0.00 N ATOM 36 CA ALA A 4 11.600 9.561 -28.073 1.00 0.00 C ATOM 37 C ALA A 4 11.134 8.705 -26.884 1.00 0.00 C ATOM 38 O ALA A 4 10.022 8.893 -26.380 1.00 0.00 O ATOM 39 CB ALA A 4 10.846 9.167 -29.342 1.00 0.00 C ATOM 0 H ALA A 4 13.252 8.864 -29.141 1.00 0.00 H new ATOM 0 HA ALA A 4 11.388 10.599 -27.815 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.774 9.262 -29.172 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.144 9.822 -30.160 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.082 8.135 -29.600 1.00 0.00 H new ATOM 45 N VAL A 5 11.963 7.758 -26.443 1.00 0.00 N ATOM 46 CA VAL A 5 11.729 6.860 -25.324 1.00 0.00 C ATOM 47 C VAL A 5 12.990 6.938 -24.474 1.00 0.00 C ATOM 48 O VAL A 5 14.100 6.711 -24.964 1.00 0.00 O ATOM 49 CB VAL A 5 11.365 5.432 -25.772 1.00 0.00 C ATOM 50 CG1 VAL A 5 9.950 5.429 -26.362 1.00 0.00 C ATOM 51 CG2 VAL A 5 12.331 4.796 -26.786 1.00 0.00 C ATOM 0 H VAL A 5 12.866 7.592 -26.887 1.00 0.00 H new ATOM 0 HA VAL A 5 10.857 7.159 -24.742 1.00 0.00 H new ATOM 0 HB VAL A 5 11.435 4.821 -24.872 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.690 4.419 -26.680 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.240 5.765 -25.606 1.00 0.00 H new ATOM 0 HG13 VAL A 5 9.912 6.100 -27.220 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.987 3.793 -27.037 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.363 5.405 -27.689 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.329 4.739 -26.351 1.00 0.00 H new ATOM 61 N ARG A 6 12.830 7.331 -23.215 1.00 0.00 N ATOM 62 CA ARG A 6 13.929 7.472 -22.278 1.00 0.00 C ATOM 63 C ARG A 6 14.240 6.138 -21.619 1.00 0.00 C ATOM 64 O ARG A 6 15.395 5.721 -21.650 1.00 0.00 O ATOM 65 CB ARG A 6 13.530 8.540 -21.250 1.00 0.00 C ATOM 66 CG ARG A 6 14.543 8.765 -20.127 1.00 0.00 C ATOM 67 CD ARG A 6 15.809 9.485 -20.612 1.00 0.00 C ATOM 68 NE ARG A 6 16.712 9.774 -19.488 1.00 0.00 N ATOM 69 CZ ARG A 6 16.449 10.569 -18.442 1.00 0.00 C ATOM 70 NH1 ARG A 6 15.385 11.365 -18.411 1.00 0.00 N ATOM 71 NH2 ARG A 6 17.255 10.552 -17.392 1.00 0.00 N ATOM 0 H ARG A 6 11.920 7.563 -22.815 1.00 0.00 H new ATOM 0 HA ARG A 6 14.839 7.784 -22.790 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.372 9.484 -21.772 1.00 0.00 H new ATOM 0 HB3 ARG A 6 12.575 8.258 -20.807 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.077 9.350 -19.334 1.00 0.00 H new ATOM 0 HG3 ARG A 6 14.819 7.804 -19.693 1.00 0.00 H new ATOM 0 HD2 ARG A 6 16.324 8.867 -21.348 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.535 10.414 -21.112 1.00 0.00 H new ATOM 0 HE ARG A 6 17.628 9.326 -19.506 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.739 11.383 -19.200 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.215 11.958 -17.598 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.069 9.937 -17.384 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.062 11.154 -16.591 1.00 0.00 H new ATOM 85 N LYS A 7 13.228 5.514 -20.996 1.00 0.00 N ATOM 86 CA LYS A 7 13.247 4.244 -20.263 1.00 0.00 C ATOM 87 C LYS A 7 14.609 3.983 -19.621 1.00 0.00 C ATOM 88 O LYS A 7 15.292 3.000 -19.923 1.00 0.00 O ATOM 89 CB LYS A 7 12.712 3.086 -21.118 1.00 0.00 C ATOM 90 CG LYS A 7 13.417 2.902 -22.471 1.00 0.00 C ATOM 91 CD LYS A 7 13.158 1.484 -22.978 1.00 0.00 C ATOM 92 CE LYS A 7 13.676 1.332 -24.407 1.00 0.00 C ATOM 93 NZ LYS A 7 13.396 -0.021 -24.916 1.00 0.00 N ATOM 0 H LYS A 7 12.294 5.924 -20.994 1.00 0.00 H new ATOM 0 HA LYS A 7 12.551 4.321 -19.427 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.803 2.161 -20.549 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.649 3.247 -21.297 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.047 3.633 -23.191 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.488 3.074 -22.364 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.650 0.762 -22.326 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.090 1.268 -22.946 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.205 2.074 -25.052 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.749 1.522 -24.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.755 -0.107 -25.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.866 -0.724 -24.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.370 -0.189 -24.909 1.00 0.00 H new ATOM 107 N LYS A 8 15.039 4.917 -18.775 1.00 0.00 N ATOM 108 CA LYS A 8 16.305 4.877 -18.061 1.00 0.00 C ATOM 109 C LYS A 8 15.923 4.863 -16.595 1.00 0.00 C ATOM 110 O LYS A 8 15.416 5.864 -16.082 1.00 0.00 O ATOM 111 CB LYS A 8 17.185 6.063 -18.500 1.00 0.00 C ATOM 112 CG LYS A 8 18.624 6.024 -17.965 1.00 0.00 C ATOM 113 CD LYS A 8 19.331 4.690 -18.254 1.00 0.00 C ATOM 114 CE LYS A 8 20.843 4.769 -18.035 1.00 0.00 C ATOM 115 NZ LYS A 8 21.573 5.237 -19.232 1.00 0.00 N ATOM 0 H LYS A 8 14.492 5.751 -18.563 1.00 0.00 H new ATOM 0 HA LYS A 8 16.918 4.001 -18.274 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.217 6.091 -19.589 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.714 6.989 -18.171 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.195 6.837 -18.413 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.612 6.198 -16.889 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.914 3.915 -17.611 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.131 4.392 -19.283 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.050 5.442 -17.203 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.216 3.785 -17.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.592 5.271 -19.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.401 4.582 -20.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.240 6.188 -19.492 1.00 0.00 H new ATOM 129 N SER A 9 16.118 3.727 -15.947 1.00 0.00 N ATOM 130 CA SER A 9 15.788 3.474 -14.556 1.00 0.00 C ATOM 131 C SER A 9 17.032 3.083 -13.761 1.00 0.00 C ATOM 132 O SER A 9 18.133 3.011 -14.312 1.00 0.00 O ATOM 133 CB SER A 9 14.714 2.373 -14.566 1.00 0.00 C ATOM 134 OG SER A 9 15.064 1.355 -15.489 1.00 0.00 O ATOM 0 H SER A 9 16.533 2.914 -16.402 1.00 0.00 H new ATOM 0 HA SER A 9 15.404 4.365 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.609 1.948 -13.568 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.748 2.800 -14.834 1.00 0.00 H new ATOM 0 HG SER A 9 14.374 0.659 -15.485 1.00 0.00 H new ATOM 140 N GLU A 10 16.900 2.947 -12.443 1.00 0.00 N ATOM 141 CA GLU A 10 17.992 2.536 -11.573 1.00 0.00 C ATOM 142 C GLU A 10 18.122 1.024 -11.804 1.00 0.00 C ATOM 143 O GLU A 10 17.108 0.324 -11.786 1.00 0.00 O ATOM 144 CB GLU A 10 17.663 2.925 -10.126 1.00 0.00 C ATOM 145 CG GLU A 10 18.852 2.706 -9.188 1.00 0.00 C ATOM 146 CD GLU A 10 18.648 3.392 -7.838 1.00 0.00 C ATOM 147 OE1 GLU A 10 18.594 4.638 -7.795 1.00 0.00 O ATOM 148 OE2 GLU A 10 18.528 2.691 -6.804 1.00 0.00 O ATOM 0 H GLU A 10 16.025 3.121 -11.949 1.00 0.00 H new ATOM 0 HA GLU A 10 18.945 3.022 -11.784 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.363 3.972 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.813 2.338 -9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.000 1.637 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.759 3.089 -9.656 1.00 0.00 H new ATOM 155 N VAL A 11 19.341 0.526 -12.024 1.00 0.00 N ATOM 156 CA VAL A 11 19.634 -0.884 -12.304 1.00 0.00 C ATOM 157 C VAL A 11 18.915 -1.854 -11.358 1.00 0.00 C ATOM 158 O VAL A 11 18.414 -2.895 -11.801 1.00 0.00 O ATOM 159 CB VAL A 11 21.160 -1.131 -12.336 1.00 0.00 C ATOM 160 CG1 VAL A 11 21.484 -2.416 -13.104 1.00 0.00 C ATOM 161 CG2 VAL A 11 21.939 0.032 -12.979 1.00 0.00 C ATOM 0 H VAL A 11 20.178 1.109 -12.012 1.00 0.00 H new ATOM 0 HA VAL A 11 19.233 -1.097 -13.295 1.00 0.00 H new ATOM 0 HB VAL A 11 21.472 -1.219 -11.295 1.00 0.00 H new ATOM 0 HG11 VAL A 11 22.563 -2.571 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 11 21.000 -3.263 -12.617 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.120 -2.330 -14.128 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.005 -0.197 -12.974 1.00 0.00 H new ATOM 0 HG22 VAL A 11 21.603 0.171 -14.006 1.00 0.00 H new ATOM 0 HG23 VAL A 11 21.762 0.946 -12.412 1.00 0.00 H new ATOM 171 N ARG A 12 18.872 -1.528 -10.065 1.00 0.00 N ATOM 172 CA ARG A 12 18.225 -2.321 -9.030 1.00 0.00 C ATOM 173 C ARG A 12 17.087 -1.471 -8.488 1.00 0.00 C ATOM 174 O ARG A 12 17.351 -0.380 -7.973 1.00 0.00 O ATOM 175 CB ARG A 12 19.265 -2.679 -7.951 1.00 0.00 C ATOM 176 CG ARG A 12 18.775 -3.673 -6.880 1.00 0.00 C ATOM 177 CD ARG A 12 18.823 -5.145 -7.315 1.00 0.00 C ATOM 178 NE ARG A 12 20.200 -5.570 -7.622 1.00 0.00 N ATOM 179 CZ ARG A 12 20.564 -6.741 -8.152 1.00 0.00 C ATOM 180 NH1 ARG A 12 19.689 -7.728 -8.292 1.00 0.00 N ATOM 181 NH2 ARG A 12 21.819 -6.898 -8.556 1.00 0.00 N ATOM 0 H ARG A 12 19.302 -0.677 -9.703 1.00 0.00 H new ATOM 0 HA ARG A 12 17.824 -3.263 -9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.144 -3.099 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 12 19.583 -1.762 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 12 19.382 -3.551 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 12 17.750 -3.420 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 12 18.415 -5.773 -6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 12 18.192 -5.287 -8.193 1.00 0.00 H new ATOM 0 HE ARG A 12 20.946 -4.907 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 12 18.722 -7.599 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.983 -8.616 -8.699 1.00 0.00 H new ATOM 0 HH21 ARG A 12 22.486 -6.132 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 12 22.117 -7.785 -8.963 1.00 0.00 H new ATOM 195 N GLN A 13 15.827 -1.875 -8.672 1.00 0.00 N ATOM 196 CA GLN A 13 14.718 -1.097 -8.128 1.00 0.00 C ATOM 197 C GLN A 13 14.653 -1.524 -6.663 1.00 0.00 C ATOM 198 O GLN A 13 13.956 -2.475 -6.313 1.00 0.00 O ATOM 199 CB GLN A 13 13.402 -1.273 -8.902 1.00 0.00 C ATOM 200 CG GLN A 13 12.400 -0.183 -8.478 1.00 0.00 C ATOM 201 CD GLN A 13 11.129 -0.171 -9.322 1.00 0.00 C ATOM 202 OE1 GLN A 13 10.782 0.824 -9.953 1.00 0.00 O ATOM 203 NE2 GLN A 13 10.399 -1.266 -9.356 1.00 0.00 N ATOM 0 H GLN A 13 15.556 -2.716 -9.181 1.00 0.00 H new ATOM 0 HA GLN A 13 14.879 -0.023 -8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.589 -1.212 -9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.984 -2.261 -8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.132 -0.333 -7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.883 0.792 -8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.691 -2.090 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.542 -1.290 -9.908 1.00 0.00 H new ATOM 212 N LYS A 14 15.444 -0.866 -5.811 1.00 0.00 N ATOM 213 CA LYS A 14 15.517 -1.162 -4.382 1.00 0.00 C ATOM 214 C LYS A 14 14.173 -0.973 -3.687 1.00 0.00 C ATOM 215 O LYS A 14 13.944 -1.564 -2.639 1.00 0.00 O ATOM 216 CB LYS A 14 16.638 -0.331 -3.734 1.00 0.00 C ATOM 217 CG LYS A 14 16.325 1.175 -3.658 1.00 0.00 C ATOM 218 CD LYS A 14 17.567 2.031 -3.383 1.00 0.00 C ATOM 219 CE LYS A 14 18.141 1.804 -1.980 1.00 0.00 C ATOM 220 NZ LYS A 14 19.257 2.726 -1.697 1.00 0.00 N ATOM 0 H LYS A 14 16.058 -0.104 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 14 15.764 -2.217 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 14 16.821 -0.707 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 14 17.558 -0.474 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.871 1.494 -4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.589 1.349 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.332 1.804 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 14 17.311 3.084 -3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.355 1.943 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.486 0.774 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.622 2.546 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 20.016 2.575 -2.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.920 3.708 -1.760 1.00 0.00 H new ATOM 234 N THR A 15 13.311 -0.119 -4.231 1.00 0.00 N ATOM 235 CA THR A 15 12.002 0.135 -3.677 1.00 0.00 C ATOM 236 C THR A 15 11.005 -0.848 -4.296 1.00 0.00 C ATOM 237 O THR A 15 11.235 -1.444 -5.352 1.00 0.00 O ATOM 238 CB THR A 15 11.658 1.618 -3.922 1.00 0.00 C ATOM 239 OG1 THR A 15 10.592 2.095 -3.129 1.00 0.00 O ATOM 240 CG2 THR A 15 11.345 1.939 -5.389 1.00 0.00 C ATOM 0 H THR A 15 13.511 0.416 -5.076 1.00 0.00 H new ATOM 0 HA THR A 15 11.965 -0.028 -2.600 1.00 0.00 H new ATOM 0 HB THR A 15 12.573 2.133 -3.629 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.625 1.670 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.112 2.999 -5.488 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.210 1.699 -6.007 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.490 1.348 -5.716 1.00 0.00 H new ATOM 248 N VAL A 16 9.887 -1.034 -3.616 1.00 0.00 N ATOM 249 CA VAL A 16 8.789 -1.886 -4.032 1.00 0.00 C ATOM 250 C VAL A 16 7.800 -0.939 -4.701 1.00 0.00 C ATOM 251 O VAL A 16 7.679 0.213 -4.283 1.00 0.00 O ATOM 252 CB VAL A 16 8.144 -2.570 -2.808 1.00 0.00 C ATOM 253 CG1 VAL A 16 7.125 -3.639 -3.221 1.00 0.00 C ATOM 254 CG2 VAL A 16 9.190 -3.233 -1.908 1.00 0.00 C ATOM 0 H VAL A 16 9.713 -0.576 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 16 9.112 -2.684 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 16 7.639 -1.775 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.695 -4.095 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.333 -3.178 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.622 -4.405 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.694 -3.703 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.731 -3.990 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.890 -2.479 -1.548 1.00 0.00 H new ATOM 264 N VAL A 17 7.107 -1.397 -5.734 1.00 0.00 N ATOM 265 CA VAL A 17 6.109 -0.616 -6.439 1.00 0.00 C ATOM 266 C VAL A 17 5.019 -1.613 -6.806 1.00 0.00 C ATOM 267 O VAL A 17 5.229 -2.523 -7.619 1.00 0.00 O ATOM 268 CB VAL A 17 6.742 0.196 -7.586 1.00 0.00 C ATOM 269 CG1 VAL A 17 7.228 -0.638 -8.774 1.00 0.00 C ATOM 270 CG2 VAL A 17 5.764 1.270 -8.073 1.00 0.00 C ATOM 0 H VAL A 17 7.227 -2.338 -6.109 1.00 0.00 H new ATOM 0 HA VAL A 17 5.654 0.177 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 17 7.636 0.649 -7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.657 0.020 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.985 -1.345 -8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.388 -1.184 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.221 1.838 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.851 0.795 -8.433 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.523 1.943 -7.250 1.00 0.00 H new ATOM 280 N ARG A 18 3.882 -1.522 -6.119 1.00 0.00 N ATOM 281 CA ARG A 18 2.771 -2.427 -6.364 1.00 0.00 C ATOM 282 C ARG A 18 1.435 -1.718 -6.268 1.00 0.00 C ATOM 283 O ARG A 18 1.320 -0.636 -5.680 1.00 0.00 O ATOM 284 CB ARG A 18 2.866 -3.607 -5.383 1.00 0.00 C ATOM 285 CG ARG A 18 2.452 -4.924 -6.040 1.00 0.00 C ATOM 286 CD ARG A 18 2.746 -6.064 -5.064 1.00 0.00 C ATOM 287 NE ARG A 18 2.729 -7.380 -5.718 1.00 0.00 N ATOM 288 CZ ARG A 18 3.651 -7.849 -6.567 1.00 0.00 C ATOM 289 NH1 ARG A 18 4.727 -7.133 -6.895 1.00 0.00 N ATOM 290 NH2 ARG A 18 3.467 -9.034 -7.127 1.00 0.00 N ATOM 0 H ARG A 18 3.710 -0.830 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 18 2.836 -2.806 -7.384 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.888 -3.691 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.229 -3.415 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.392 -4.905 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.999 -5.072 -6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.721 -5.902 -4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.009 -6.051 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 18 1.942 -7.993 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.862 -6.204 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.415 -7.514 -7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.631 -9.577 -6.909 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.161 -9.405 -7.776 1.00 0.00 H new ATOM 304 N THR A 19 0.433 -2.376 -6.835 1.00 0.00 N ATOM 305 CA THR A 19 -0.945 -1.944 -6.885 1.00 0.00 C ATOM 306 C THR A 19 -1.601 -2.563 -5.657 1.00 0.00 C ATOM 307 O THR A 19 -1.861 -3.773 -5.622 1.00 0.00 O ATOM 308 CB THR A 19 -1.579 -2.461 -8.181 1.00 0.00 C ATOM 309 OG1 THR A 19 -0.818 -2.060 -9.312 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.033 -2.019 -8.338 1.00 0.00 C ATOM 0 H THR A 19 0.575 -3.275 -7.296 1.00 0.00 H new ATOM 0 HA THR A 19 -1.059 -0.860 -6.880 1.00 0.00 H new ATOM 0 HB THR A 19 -1.576 -3.549 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.240 -2.402 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.434 -2.412 -9.272 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.621 -2.399 -7.502 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.083 -0.930 -8.352 1.00 0.00 H new ATOM 318 N LEU A 20 -1.828 -1.760 -4.630 1.00 0.00 N ATOM 319 CA LEU A 20 -2.446 -2.187 -3.390 1.00 0.00 C ATOM 320 C LEU A 20 -3.829 -1.561 -3.292 1.00 0.00 C ATOM 321 O LEU A 20 -3.959 -0.342 -3.225 1.00 0.00 O ATOM 322 CB LEU A 20 -1.532 -1.861 -2.203 1.00 0.00 C ATOM 323 CG LEU A 20 -1.948 -2.598 -0.919 1.00 0.00 C ATOM 324 CD1 LEU A 20 -1.978 -4.120 -1.116 1.00 0.00 C ATOM 325 CD2 LEU A 20 -0.928 -2.284 0.174 1.00 0.00 C ATOM 0 H LEU A 20 -1.581 -0.770 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.579 -3.269 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.506 -2.128 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.546 -0.786 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.950 -2.264 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.277 -4.602 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.692 -4.371 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.986 -4.469 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.209 -2.800 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.060 -2.619 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.906 -1.209 0.353 1.00 0.00 H new ATOM 337 N ARG A 21 -4.858 -2.400 -3.386 1.00 0.00 N ATOM 338 CA ARG A 21 -6.253 -2.006 -3.313 1.00 0.00 C ATOM 339 C ARG A 21 -6.760 -2.158 -1.885 1.00 0.00 C ATOM 340 O ARG A 21 -6.319 -3.054 -1.162 1.00 0.00 O ATOM 341 CB ARG A 21 -7.071 -2.939 -4.215 1.00 0.00 C ATOM 342 CG ARG A 21 -6.786 -2.771 -5.717 1.00 0.00 C ATOM 343 CD ARG A 21 -7.962 -2.128 -6.457 1.00 0.00 C ATOM 344 NE ARG A 21 -9.150 -3.009 -6.495 1.00 0.00 N ATOM 345 CZ ARG A 21 -9.466 -3.861 -7.479 1.00 0.00 C ATOM 346 NH1 ARG A 21 -8.650 -4.036 -8.512 1.00 0.00 N ATOM 347 NH2 ARG A 21 -10.604 -4.550 -7.453 1.00 0.00 N ATOM 0 H ARG A 21 -4.734 -3.404 -3.519 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.354 -0.968 -3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.867 -3.971 -3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.131 -2.762 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.895 -2.157 -5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.571 -3.745 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.224 -1.188 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.659 -1.886 -7.476 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.786 -2.963 -5.699 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.772 -3.519 -8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.901 -4.688 -9.256 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.253 -4.434 -6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.828 -5.194 -8.212 1.00 0.00 H new ATOM 361 N PHE A 22 -7.736 -1.329 -1.527 1.00 0.00 N ATOM 362 CA PHE A 22 -8.404 -1.304 -0.228 1.00 0.00 C ATOM 363 C PHE A 22 -9.912 -1.346 -0.469 1.00 0.00 C ATOM 364 O PHE A 22 -10.355 -1.410 -1.622 1.00 0.00 O ATOM 365 CB PHE A 22 -7.934 -0.113 0.622 1.00 0.00 C ATOM 366 CG PHE A 22 -6.479 -0.229 1.048 1.00 0.00 C ATOM 367 CD1 PHE A 22 -5.443 0.170 0.180 1.00 0.00 C ATOM 368 CD2 PHE A 22 -6.150 -0.781 2.300 1.00 0.00 C ATOM 369 CE1 PHE A 22 -4.100 0.020 0.564 1.00 0.00 C ATOM 370 CE2 PHE A 22 -4.810 -0.897 2.705 1.00 0.00 C ATOM 371 CZ PHE A 22 -3.782 -0.503 1.831 1.00 0.00 C ATOM 0 H PHE A 22 -8.101 -0.622 -2.165 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.136 -2.179 0.364 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.069 0.808 0.055 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -8.562 -0.036 1.509 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.682 0.593 -0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.937 -1.119 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.310 0.307 -0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.571 -1.287 3.683 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.749 -0.602 2.132 1.00 0.00 H new ATOM 381 N SER A 23 -10.709 -1.350 0.591 1.00 0.00 N ATOM 382 CA SER A 23 -12.166 -1.385 0.520 1.00 0.00 C ATOM 383 C SER A 23 -12.727 -0.039 1.024 1.00 0.00 C ATOM 384 O SER A 23 -11.930 0.765 1.508 1.00 0.00 O ATOM 385 CB SER A 23 -12.607 -2.623 1.303 1.00 0.00 C ATOM 386 OG SER A 23 -12.081 -3.805 0.725 1.00 0.00 O ATOM 0 H SER A 23 -10.354 -1.329 1.547 1.00 0.00 H new ATOM 0 HA SER A 23 -12.561 -1.484 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.274 -2.541 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.696 -2.677 1.322 1.00 0.00 H new ATOM 0 HG SER A 23 -11.481 -4.243 1.364 1.00 0.00 H new ATOM 392 N PRO A 24 -14.044 0.248 0.954 1.00 0.00 N ATOM 393 CA PRO A 24 -14.568 1.545 1.374 1.00 0.00 C ATOM 394 C PRO A 24 -14.476 1.779 2.876 1.00 0.00 C ATOM 395 O PRO A 24 -13.974 2.821 3.294 1.00 0.00 O ATOM 396 CB PRO A 24 -16.004 1.618 0.846 1.00 0.00 C ATOM 397 CG PRO A 24 -16.425 0.161 0.701 1.00 0.00 C ATOM 398 CD PRO A 24 -15.119 -0.589 0.443 1.00 0.00 C ATOM 0 HA PRO A 24 -13.961 2.350 0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.655 2.154 1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.051 2.143 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.920 -0.201 1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.127 0.031 -0.122 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.125 -1.558 0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.987 -0.780 -0.622 1.00 0.00 H new ATOM 406 N VAL A 25 -14.921 0.815 3.681 1.00 0.00 N ATOM 407 CA VAL A 25 -14.897 0.924 5.134 1.00 0.00 C ATOM 408 C VAL A 25 -13.442 0.954 5.626 1.00 0.00 C ATOM 409 O VAL A 25 -13.130 1.664 6.584 1.00 0.00 O ATOM 410 CB VAL A 25 -15.708 -0.239 5.748 1.00 0.00 C ATOM 411 CG1 VAL A 25 -15.902 -0.064 7.261 1.00 0.00 C ATOM 412 CG2 VAL A 25 -17.084 -0.447 5.087 1.00 0.00 C ATOM 0 H VAL A 25 -15.309 -0.065 3.340 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.364 1.855 5.456 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.107 -1.128 5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.477 -0.903 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.929 -0.030 7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.438 0.865 7.454 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -17.597 -1.279 5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.681 0.459 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.949 -0.668 4.028 1.00 0.00 H new ATOM 422 N GLU A 26 -12.545 0.185 4.992 1.00 0.00 N ATOM 423 CA GLU A 26 -11.137 0.142 5.370 1.00 0.00 C ATOM 424 C GLU A 26 -10.521 1.510 5.121 1.00 0.00 C ATOM 425 O GLU A 26 -9.889 2.087 6.001 1.00 0.00 O ATOM 426 CB GLU A 26 -10.392 -0.905 4.534 1.00 0.00 C ATOM 427 CG GLU A 26 -10.707 -2.343 4.951 1.00 0.00 C ATOM 428 CD GLU A 26 -9.937 -3.336 4.078 1.00 0.00 C ATOM 429 OE1 GLU A 26 -8.705 -3.187 3.915 1.00 0.00 O ATOM 430 OE2 GLU A 26 -10.584 -4.214 3.460 1.00 0.00 O ATOM 0 H GLU A 26 -12.781 -0.421 4.206 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.056 -0.126 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.651 -0.773 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.319 -0.735 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.443 -2.490 5.998 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.778 -2.527 4.863 1.00 0.00 H new ATOM 437 N ASP A 27 -10.733 2.023 3.910 1.00 0.00 N ATOM 438 CA ASP A 27 -10.248 3.312 3.457 1.00 0.00 C ATOM 439 C ASP A 27 -10.747 4.417 4.362 1.00 0.00 C ATOM 440 O ASP A 27 -9.963 5.270 4.751 1.00 0.00 O ATOM 441 CB ASP A 27 -10.761 3.527 2.031 1.00 0.00 C ATOM 442 CG ASP A 27 -10.631 4.959 1.522 1.00 0.00 C ATOM 443 OD1 ASP A 27 -9.537 5.548 1.617 1.00 0.00 O ATOM 444 OD2 ASP A 27 -11.619 5.475 0.941 1.00 0.00 O ATOM 0 H ASP A 27 -11.268 1.529 3.196 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.158 3.332 3.480 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.216 2.865 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.810 3.233 1.987 1.00 0.00 H new ATOM 449 N GLU A 28 -12.029 4.395 4.712 1.00 0.00 N ATOM 450 CA GLU A 28 -12.635 5.388 5.578 1.00 0.00 C ATOM 451 C GLU A 28 -11.936 5.370 6.942 1.00 0.00 C ATOM 452 O GLU A 28 -11.563 6.423 7.457 1.00 0.00 O ATOM 453 CB GLU A 28 -14.136 5.089 5.658 1.00 0.00 C ATOM 454 CG GLU A 28 -14.932 6.224 6.297 1.00 0.00 C ATOM 455 CD GLU A 28 -16.429 5.911 6.291 1.00 0.00 C ATOM 456 OE1 GLU A 28 -16.997 5.619 5.210 1.00 0.00 O ATOM 457 OE2 GLU A 28 -17.055 6.000 7.374 1.00 0.00 O ATOM 0 H GLU A 28 -12.680 3.676 4.396 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.515 6.398 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.519 4.903 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.290 4.175 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.593 6.380 7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.748 7.152 5.756 1.00 0.00 H new ATOM 464 N THR A 29 -11.719 4.178 7.506 1.00 0.00 N ATOM 465 CA THR A 29 -11.060 4.014 8.794 1.00 0.00 C ATOM 466 C THR A 29 -9.637 4.584 8.730 1.00 0.00 C ATOM 467 O THR A 29 -9.288 5.467 9.517 1.00 0.00 O ATOM 468 CB THR A 29 -11.033 2.519 9.192 1.00 0.00 C ATOM 469 OG1 THR A 29 -12.310 1.903 9.134 1.00 0.00 O ATOM 470 CG2 THR A 29 -10.484 2.307 10.606 1.00 0.00 C ATOM 0 H THR A 29 -12.000 3.297 7.074 1.00 0.00 H new ATOM 0 HA THR A 29 -11.619 4.561 9.553 1.00 0.00 H new ATOM 0 HB THR A 29 -10.375 2.056 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.510 1.652 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.484 1.243 10.841 1.00 0.00 H new ATOM 0 HG22 THR A 29 -9.465 2.691 10.662 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.111 2.837 11.323 1.00 0.00 H new ATOM 478 N ILE A 30 -8.828 4.076 7.792 1.00 0.00 N ATOM 479 CA ILE A 30 -7.440 4.466 7.588 1.00 0.00 C ATOM 480 C ILE A 30 -7.328 5.959 7.311 1.00 0.00 C ATOM 481 O ILE A 30 -6.448 6.612 7.854 1.00 0.00 O ATOM 482 CB ILE A 30 -6.770 3.565 6.518 1.00 0.00 C ATOM 483 CG1 ILE A 30 -6.613 2.153 7.133 1.00 0.00 C ATOM 484 CG2 ILE A 30 -5.413 4.129 6.046 1.00 0.00 C ATOM 485 CD1 ILE A 30 -5.911 1.121 6.249 1.00 0.00 C ATOM 0 H ILE A 30 -9.138 3.359 7.136 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.878 4.300 8.507 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.396 3.526 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.058 2.243 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.603 1.774 7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.983 3.464 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.561 5.117 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.735 4.205 6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.855 0.169 6.776 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.473 0.991 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.904 1.467 6.016 1.00 0.00 H new ATOM 497 N ARG A 31 -8.202 6.520 6.482 1.00 0.00 N ATOM 498 CA ARG A 31 -8.185 7.935 6.138 1.00 0.00 C ATOM 499 C ARG A 31 -8.416 8.784 7.372 1.00 0.00 C ATOM 500 O ARG A 31 -7.684 9.749 7.579 1.00 0.00 O ATOM 501 CB ARG A 31 -9.256 8.190 5.073 1.00 0.00 C ATOM 502 CG ARG A 31 -9.598 9.661 4.813 1.00 0.00 C ATOM 503 CD ARG A 31 -10.569 9.674 3.632 1.00 0.00 C ATOM 504 NE ARG A 31 -11.413 10.872 3.600 1.00 0.00 N ATOM 505 CZ ARG A 31 -12.404 11.081 2.730 1.00 0.00 C ATOM 506 NH1 ARG A 31 -12.616 10.255 1.711 1.00 0.00 N ATOM 507 NH2 ARG A 31 -13.181 12.143 2.888 1.00 0.00 N ATOM 0 H ARG A 31 -8.950 5.998 6.026 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.210 8.212 5.737 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.924 7.742 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.168 7.671 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.051 10.116 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.700 10.234 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.003 9.609 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.204 8.790 3.681 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.230 11.598 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.015 9.441 1.581 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.379 10.435 1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.017 12.784 3.664 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.943 12.319 2.233 1.00 0.00 H new ATOM 521 N LYS A 32 -9.435 8.455 8.172 1.00 0.00 N ATOM 522 CA LYS A 32 -9.730 9.243 9.362 1.00 0.00 C ATOM 523 C LYS A 32 -8.574 9.159 10.343 1.00 0.00 C ATOM 524 O LYS A 32 -8.162 10.186 10.874 1.00 0.00 O ATOM 525 CB LYS A 32 -11.056 8.827 10.018 1.00 0.00 C ATOM 526 CG LYS A 32 -12.243 9.638 9.483 1.00 0.00 C ATOM 527 CD LYS A 32 -12.650 9.261 8.054 1.00 0.00 C ATOM 528 CE LYS A 32 -13.472 10.361 7.385 1.00 0.00 C ATOM 529 NZ LYS A 32 -14.750 10.633 8.068 1.00 0.00 N ATOM 0 H LYS A 32 -10.057 7.662 8.018 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.851 10.282 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.232 7.766 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.984 8.960 11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.097 9.495 10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.991 10.698 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.756 9.065 7.462 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.228 8.337 8.073 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.883 11.277 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.674 10.077 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.266 11.376 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.323 9.765 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.563 10.950 9.041 1.00 0.00 H new ATOM 543 N LYS A 33 -8.055 7.954 10.588 1.00 0.00 N ATOM 544 CA LYS A 33 -6.955 7.760 11.521 1.00 0.00 C ATOM 545 C LYS A 33 -5.694 8.475 11.037 1.00 0.00 C ATOM 546 O LYS A 33 -5.050 9.164 11.820 1.00 0.00 O ATOM 547 CB LYS A 33 -6.727 6.257 11.745 1.00 0.00 C ATOM 548 CG LYS A 33 -6.327 5.959 13.196 1.00 0.00 C ATOM 549 CD LYS A 33 -7.554 5.954 14.122 1.00 0.00 C ATOM 550 CE LYS A 33 -7.187 5.671 15.580 1.00 0.00 C ATOM 551 NZ LYS A 33 -6.544 4.355 15.757 1.00 0.00 N ATOM 0 H LYS A 33 -8.385 7.095 10.147 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.213 8.206 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.636 5.709 11.497 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.947 5.902 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.826 4.992 13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.612 6.707 13.540 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.057 6.919 14.058 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.263 5.201 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.516 6.451 15.940 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.087 5.717 16.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.454 4.146 16.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.124 3.621 15.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.600 4.369 15.322 1.00 0.00 H new ATOM 565 N ALA A 34 -5.363 8.357 9.752 1.00 0.00 N ATOM 566 CA ALA A 34 -4.197 8.984 9.151 1.00 0.00 C ATOM 567 C ALA A 34 -4.269 10.503 9.297 1.00 0.00 C ATOM 568 O ALA A 34 -3.320 11.129 9.767 1.00 0.00 O ATOM 569 CB ALA A 34 -4.113 8.579 7.673 1.00 0.00 C ATOM 0 H ALA A 34 -5.913 7.810 9.089 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.298 8.645 9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.240 9.046 7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.026 7.495 7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.013 8.908 7.154 1.00 0.00 H new ATOM 575 N GLU A 35 -5.393 11.099 8.893 1.00 0.00 N ATOM 576 CA GLU A 35 -5.588 12.539 8.956 1.00 0.00 C ATOM 577 C GLU A 35 -5.591 13.025 10.408 1.00 0.00 C ATOM 578 O GLU A 35 -5.052 14.099 10.682 1.00 0.00 O ATOM 579 CB GLU A 35 -6.853 12.937 8.176 1.00 0.00 C ATOM 580 CG GLU A 35 -6.917 14.458 7.951 1.00 0.00 C ATOM 581 CD GLU A 35 -7.925 14.898 6.883 1.00 0.00 C ATOM 582 OE1 GLU A 35 -8.919 14.183 6.647 1.00 0.00 O ATOM 583 OE2 GLU A 35 -7.681 15.964 6.261 1.00 0.00 O ATOM 0 H GLU A 35 -6.192 10.591 8.513 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.750 13.042 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.866 12.424 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.738 12.611 8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.171 14.942 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.926 14.813 7.667 1.00 0.00 H new ATOM 590 N ASP A 36 -6.154 12.242 11.335 1.00 0.00 N ATOM 591 CA ASP A 36 -6.211 12.572 12.755 1.00 0.00 C ATOM 592 C ASP A 36 -4.813 12.544 13.346 1.00 0.00 C ATOM 593 O ASP A 36 -4.439 13.447 14.092 1.00 0.00 O ATOM 594 CB ASP A 36 -7.097 11.587 13.523 1.00 0.00 C ATOM 595 CG ASP A 36 -7.121 11.933 15.010 1.00 0.00 C ATOM 596 OD1 ASP A 36 -7.866 12.876 15.368 1.00 0.00 O ATOM 597 OD2 ASP A 36 -6.495 11.211 15.818 1.00 0.00 O ATOM 0 H ASP A 36 -6.589 11.347 11.111 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.640 13.570 12.848 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.110 11.612 13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.725 10.572 13.386 1.00 0.00 H new ATOM 602 N SER A 37 -4.031 11.523 12.999 1.00 0.00 N ATOM 603 CA SER A 37 -2.662 11.360 13.460 1.00 0.00 C ATOM 604 C SER A 37 -1.750 12.379 12.747 1.00 0.00 C ATOM 605 O SER A 37 -0.623 12.656 13.166 1.00 0.00 O ATOM 606 CB SER A 37 -2.262 9.900 13.238 1.00 0.00 C ATOM 607 OG SER A 37 -0.977 9.600 13.750 1.00 0.00 O ATOM 0 H SER A 37 -4.341 10.775 12.378 1.00 0.00 H new ATOM 0 HA SER A 37 -2.560 11.569 14.525 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.998 9.250 13.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.283 9.680 12.171 1.00 0.00 H new ATOM 0 HG SER A 37 -0.771 8.656 13.584 1.00 0.00 H new ATOM 613 N GLY A 38 -2.241 12.990 11.668 1.00 0.00 N ATOM 614 CA GLY A 38 -1.527 13.983 10.903 1.00 0.00 C ATOM 615 C GLY A 38 -0.469 13.424 9.957 1.00 0.00 C ATOM 616 O GLY A 38 0.334 14.210 9.444 1.00 0.00 O ATOM 0 H GLY A 38 -3.173 12.794 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.246 14.559 10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.047 14.677 11.593 1.00 0.00 H new ATOM 620 N LEU A 39 -0.399 12.104 9.769 1.00 0.00 N ATOM 621 CA LEU A 39 0.545 11.436 8.888 1.00 0.00 C ATOM 622 C LEU A 39 -0.333 10.830 7.813 1.00 0.00 C ATOM 623 O LEU A 39 -1.191 10.009 8.131 1.00 0.00 O ATOM 624 CB LEU A 39 1.395 10.343 9.566 1.00 0.00 C ATOM 625 CG LEU A 39 1.994 10.637 10.948 1.00 0.00 C ATOM 626 CD1 LEU A 39 2.886 9.464 11.374 1.00 0.00 C ATOM 627 CD2 LEU A 39 2.832 11.916 10.940 1.00 0.00 C ATOM 0 H LEU A 39 -1.023 11.453 10.246 1.00 0.00 H new ATOM 0 HA LEU A 39 1.286 12.146 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.777 9.449 9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.217 10.097 8.894 1.00 0.00 H new ATOM 0 HG LEU A 39 1.170 10.771 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.313 9.670 12.355 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.290 8.552 11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.689 9.335 10.648 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.239 12.090 11.936 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.650 11.811 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.205 12.760 10.651 1.00 0.00 H new ATOM 639 N THR A 40 -0.137 11.249 6.567 1.00 0.00 N ATOM 640 CA THR A 40 -0.892 10.793 5.408 1.00 0.00 C ATOM 641 C THR A 40 -0.994 9.266 5.368 1.00 0.00 C ATOM 642 O THR A 40 -0.164 8.559 5.938 1.00 0.00 O ATOM 643 CB THR A 40 -0.268 11.398 4.143 1.00 0.00 C ATOM 644 OG1 THR A 40 -1.053 11.085 3.013 1.00 0.00 O ATOM 645 CG2 THR A 40 1.170 10.911 3.925 1.00 0.00 C ATOM 0 H THR A 40 0.576 11.939 6.330 1.00 0.00 H new ATOM 0 HA THR A 40 -1.923 11.141 5.474 1.00 0.00 H new ATOM 0 HB THR A 40 -0.239 12.479 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.646 11.478 2.213 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.574 11.363 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.784 11.197 4.779 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.175 9.826 3.822 1.00 0.00 H new ATOM 653 N VAL A 41 -1.987 8.751 4.645 1.00 0.00 N ATOM 654 CA VAL A 41 -2.265 7.333 4.501 1.00 0.00 C ATOM 655 C VAL A 41 -1.000 6.528 4.213 1.00 0.00 C ATOM 656 O VAL A 41 -0.804 5.504 4.856 1.00 0.00 O ATOM 657 CB VAL A 41 -3.400 7.127 3.479 1.00 0.00 C ATOM 658 CG1 VAL A 41 -3.628 5.642 3.170 1.00 0.00 C ATOM 659 CG2 VAL A 41 -4.699 7.741 4.028 1.00 0.00 C ATOM 0 H VAL A 41 -2.641 9.336 4.126 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.623 6.935 5.451 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.109 7.620 2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.436 5.541 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.715 5.212 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.895 5.116 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.503 7.596 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.963 7.255 4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.553 8.807 4.200 1.00 0.00 H new ATOM 669 N SER A 42 -0.107 6.965 3.322 1.00 0.00 N ATOM 670 CA SER A 42 1.102 6.195 3.047 1.00 0.00 C ATOM 671 C SER A 42 1.995 6.070 4.290 1.00 0.00 C ATOM 672 O SER A 42 2.564 5.002 4.525 1.00 0.00 O ATOM 673 CB SER A 42 1.857 6.750 1.832 1.00 0.00 C ATOM 674 OG SER A 42 2.006 8.158 1.883 1.00 0.00 O ATOM 0 H SER A 42 -0.197 7.830 2.790 1.00 0.00 H new ATOM 0 HA SER A 42 0.794 5.182 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.841 6.285 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.324 6.477 0.921 1.00 0.00 H new ATOM 0 HG SER A 42 2.494 8.464 1.090 1.00 0.00 H new ATOM 680 N ALA A 43 2.149 7.154 5.059 1.00 0.00 N ATOM 681 CA ALA A 43 2.934 7.168 6.283 1.00 0.00 C ATOM 682 C ALA A 43 2.223 6.299 7.311 1.00 0.00 C ATOM 683 O ALA A 43 2.864 5.438 7.887 1.00 0.00 O ATOM 684 CB ALA A 43 3.104 8.573 6.850 1.00 0.00 C ATOM 0 H ALA A 43 1.723 8.054 4.839 1.00 0.00 H new ATOM 0 HA ALA A 43 3.930 6.789 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.697 8.527 7.763 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.612 9.202 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.125 8.996 7.074 1.00 0.00 H new ATOM 690 N TYR A 44 0.920 6.500 7.530 1.00 0.00 N ATOM 691 CA TYR A 44 0.124 5.726 8.475 1.00 0.00 C ATOM 692 C TYR A 44 0.320 4.234 8.175 1.00 0.00 C ATOM 693 O TYR A 44 0.689 3.470 9.057 1.00 0.00 O ATOM 694 CB TYR A 44 -1.347 6.161 8.380 1.00 0.00 C ATOM 695 CG TYR A 44 -2.291 5.361 9.258 1.00 0.00 C ATOM 696 CD1 TYR A 44 -2.834 4.151 8.789 1.00 0.00 C ATOM 697 CD2 TYR A 44 -2.615 5.811 10.552 1.00 0.00 C ATOM 698 CE1 TYR A 44 -3.686 3.395 9.610 1.00 0.00 C ATOM 699 CE2 TYR A 44 -3.442 5.043 11.388 1.00 0.00 C ATOM 700 CZ TYR A 44 -3.981 3.826 10.922 1.00 0.00 C ATOM 701 OH TYR A 44 -4.789 3.077 11.722 1.00 0.00 O ATOM 0 H TYR A 44 0.383 7.219 7.045 1.00 0.00 H new ATOM 0 HA TYR A 44 0.445 5.906 9.501 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.421 7.214 8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.673 6.076 7.343 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.595 3.803 7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.225 6.754 10.905 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.118 2.479 9.236 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.665 5.385 12.388 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.025 2.245 11.261 1.00 0.00 H new ATOM 711 N ILE A 45 0.138 3.834 6.911 1.00 0.00 N ATOM 712 CA ILE A 45 0.283 2.470 6.422 1.00 0.00 C ATOM 713 C ILE A 45 1.668 1.920 6.756 1.00 0.00 C ATOM 714 O ILE A 45 1.769 0.918 7.454 1.00 0.00 O ATOM 715 CB ILE A 45 0.022 2.425 4.891 1.00 0.00 C ATOM 716 CG1 ILE A 45 -1.479 2.543 4.545 1.00 0.00 C ATOM 717 CG2 ILE A 45 0.648 1.194 4.203 1.00 0.00 C ATOM 718 CD1 ILE A 45 -2.277 1.253 4.718 1.00 0.00 C ATOM 0 H ILE A 45 -0.126 4.487 6.173 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.454 1.839 6.919 1.00 0.00 H new ATOM 0 HB ILE A 45 0.527 3.304 4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.923 3.316 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.575 2.878 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.429 1.223 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.728 1.204 4.352 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.230 0.284 4.634 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.319 1.431 4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.864 0.480 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.218 0.925 5.756 1.00 0.00 H new ATOM 730 N ARG A 46 2.734 2.527 6.223 1.00 0.00 N ATOM 731 CA ARG A 46 4.087 2.031 6.467 1.00 0.00 C ATOM 732 C ARG A 46 4.421 2.019 7.953 1.00 0.00 C ATOM 733 O ARG A 46 4.936 1.022 8.438 1.00 0.00 O ATOM 734 CB ARG A 46 5.130 2.780 5.612 1.00 0.00 C ATOM 735 CG ARG A 46 5.534 4.162 6.149 1.00 0.00 C ATOM 736 CD ARG A 46 6.248 4.977 5.078 1.00 0.00 C ATOM 737 NE ARG A 46 6.825 6.219 5.612 1.00 0.00 N ATOM 738 CZ ARG A 46 7.770 6.940 5.000 1.00 0.00 C ATOM 739 NH1 ARG A 46 8.217 6.586 3.798 1.00 0.00 N ATOM 740 NH2 ARG A 46 8.234 8.027 5.600 1.00 0.00 N ATOM 0 H ARG A 46 2.685 3.353 5.627 1.00 0.00 H new ATOM 0 HA ARG A 46 4.126 0.991 6.143 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.024 2.162 5.532 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.734 2.900 4.604 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.647 4.698 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.185 4.043 7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.039 4.374 4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.545 5.219 4.281 1.00 0.00 H new ATOM 0 HE ARG A 46 6.481 6.554 6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.839 5.759 3.336 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.938 7.142 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.870 8.300 6.513 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.955 8.590 5.149 1.00 0.00 H new ATOM 754 N ASN A 47 4.113 3.091 8.675 1.00 0.00 N ATOM 755 CA ASN A 47 4.392 3.228 10.091 1.00 0.00 C ATOM 756 C ASN A 47 3.730 2.117 10.889 1.00 0.00 C ATOM 757 O ASN A 47 4.430 1.437 11.636 1.00 0.00 O ATOM 758 CB ASN A 47 3.969 4.619 10.571 1.00 0.00 C ATOM 759 CG ASN A 47 4.486 4.885 11.966 1.00 0.00 C ATOM 760 OD1 ASN A 47 5.675 5.134 12.154 1.00 0.00 O ATOM 761 ND2 ASN A 47 3.624 4.847 12.958 1.00 0.00 N ATOM 0 H ASN A 47 3.650 3.908 8.276 1.00 0.00 H new ATOM 0 HA ASN A 47 5.465 3.130 10.255 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.350 5.377 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.882 4.698 10.560 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.936 5.027 13.912 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.643 4.638 12.773 1.00 0.00 H new ATOM 768 N ALA A 48 2.424 1.920 10.703 1.00 0.00 N ATOM 769 CA ALA A 48 1.643 0.897 11.383 1.00 0.00 C ATOM 770 C ALA A 48 2.035 -0.516 10.943 1.00 0.00 C ATOM 771 O ALA A 48 1.828 -1.465 11.693 1.00 0.00 O ATOM 772 CB ALA A 48 0.157 1.133 11.093 1.00 0.00 C ATOM 0 H ALA A 48 1.870 2.484 10.058 1.00 0.00 H new ATOM 0 HA ALA A 48 1.844 0.972 12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.438 0.372 11.598 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.132 2.119 11.456 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.018 1.076 10.019 1.00 0.00 H new ATOM 778 N ALA A 49 2.574 -0.678 9.733 1.00 0.00 N ATOM 779 CA ALA A 49 2.983 -1.980 9.232 1.00 0.00 C ATOM 780 C ALA A 49 4.351 -2.385 9.780 1.00 0.00 C ATOM 781 O ALA A 49 4.579 -3.548 10.099 1.00 0.00 O ATOM 782 CB ALA A 49 3.045 -1.936 7.706 1.00 0.00 C ATOM 0 H ALA A 49 2.736 0.089 9.080 1.00 0.00 H new ATOM 0 HA ALA A 49 2.251 -2.717 9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.351 -2.911 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.061 -1.685 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.766 -1.181 7.393 1.00 0.00 H new ATOM 788 N LEU A 50 5.288 -1.443 9.829 1.00 0.00 N ATOM 789 CA LEU A 50 6.643 -1.680 10.304 1.00 0.00 C ATOM 790 C LEU A 50 6.691 -1.845 11.810 1.00 0.00 C ATOM 791 O LEU A 50 7.431 -2.694 12.303 1.00 0.00 O ATOM 792 CB LEU A 50 7.535 -0.483 9.936 1.00 0.00 C ATOM 793 CG LEU A 50 7.746 -0.340 8.423 1.00 0.00 C ATOM 794 CD1 LEU A 50 8.158 1.094 8.094 1.00 0.00 C ATOM 795 CD2 LEU A 50 8.806 -1.316 7.918 1.00 0.00 C ATOM 0 H LEU A 50 5.123 -0.480 9.535 1.00 0.00 H new ATOM 0 HA LEU A 50 6.995 -2.598 9.832 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.086 0.431 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.503 -0.594 10.424 1.00 0.00 H new ATOM 0 HG LEU A 50 6.806 -0.574 7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.307 1.192 7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.375 1.780 8.416 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.086 1.334 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.933 -1.191 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.752 -1.117 8.421 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.490 -2.338 8.129 1.00 0.00 H new ATOM 807 N ASN A 51 5.992 -0.967 12.525 1.00 0.00 N ATOM 808 CA ASN A 51 5.971 -0.981 13.980 1.00 0.00 C ATOM 809 C ASN A 51 5.067 -2.062 14.498 1.00 0.00 C ATOM 810 O ASN A 51 5.597 -2.965 15.182 1.00 0.00 O ATOM 811 CB ASN A 51 5.595 0.383 14.559 1.00 0.00 C ATOM 812 CG ASN A 51 6.733 1.358 14.352 1.00 0.00 C ATOM 813 OD1 ASN A 51 7.763 1.292 15.024 1.00 0.00 O ATOM 814 ND2 ASN A 51 6.611 2.232 13.371 1.00 0.00 N ATOM 0 H ASN A 51 5.426 -0.227 12.110 1.00 0.00 H new ATOM 0 HA ASN A 51 6.984 -1.202 14.316 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.692 0.757 14.077 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.373 0.289 15.622 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.378 2.869 13.157 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.749 2.270 12.826 1.00 0.00 H new TER 821 ASN A 51 ATOM 822 N SER B 1 -21.156 -8.072 -30.404 1.00 0.00 N ATOM 823 CA SER B 1 -20.945 -6.779 -31.062 1.00 0.00 C ATOM 824 C SER B 1 -20.040 -5.921 -30.186 1.00 0.00 C ATOM 825 O SER B 1 -20.529 -5.170 -29.336 1.00 0.00 O ATOM 826 CB SER B 1 -22.285 -6.087 -31.324 1.00 0.00 C ATOM 827 OG SER B 1 -23.209 -6.965 -31.931 1.00 0.00 O ATOM 0 H1 SER B 1 -22.116 -8.414 -30.610 1.00 0.00 H new ATOM 0 H2 SER B 1 -20.460 -8.759 -30.758 1.00 0.00 H new ATOM 0 H3 SER B 1 -21.041 -7.961 -29.376 1.00 0.00 H new ATOM 0 HA SER B 1 -20.463 -6.930 -32.028 1.00 0.00 H new ATOM 0 HB2 SER B 1 -22.695 -5.718 -30.384 1.00 0.00 H new ATOM 0 HB3 SER B 1 -22.129 -5.220 -31.966 1.00 0.00 H new ATOM 0 HG SER B 1 -24.055 -6.495 -32.084 1.00 0.00 H new ATOM 833 N ASP B 2 -18.723 -6.029 -30.363 1.00 0.00 N ATOM 834 CA ASP B 2 -17.756 -5.269 -29.577 1.00 0.00 C ATOM 835 C ASP B 2 -16.889 -4.421 -30.483 1.00 0.00 C ATOM 836 O ASP B 2 -16.759 -4.665 -31.683 1.00 0.00 O ATOM 837 CB ASP B 2 -16.861 -6.201 -28.747 1.00 0.00 C ATOM 838 CG ASP B 2 -17.328 -6.301 -27.300 1.00 0.00 C ATOM 839 OD1 ASP B 2 -16.905 -5.466 -26.466 1.00 0.00 O ATOM 840 OD2 ASP B 2 -18.085 -7.247 -26.987 1.00 0.00 O ATOM 0 H ASP B 2 -18.299 -6.646 -31.055 1.00 0.00 H new ATOM 0 HA ASP B 2 -18.316 -4.625 -28.899 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -16.857 -7.194 -29.196 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -15.835 -5.835 -28.772 1.00 0.00 H new ATOM 845 N SER B 3 -16.299 -3.413 -29.869 1.00 0.00 N ATOM 846 CA SER B 3 -15.403 -2.447 -30.457 1.00 0.00 C ATOM 847 C SER B 3 -13.971 -2.965 -30.281 1.00 0.00 C ATOM 848 O SER B 3 -13.728 -3.947 -29.571 1.00 0.00 O ATOM 849 CB SER B 3 -15.568 -1.107 -29.709 1.00 0.00 C ATOM 850 OG SER B 3 -16.851 -0.938 -29.111 1.00 0.00 O ATOM 0 H SER B 3 -16.447 -3.239 -28.875 1.00 0.00 H new ATOM 0 HA SER B 3 -15.620 -2.301 -31.515 1.00 0.00 H new ATOM 0 HB2 SER B 3 -14.804 -1.037 -28.935 1.00 0.00 H new ATOM 0 HB3 SER B 3 -15.391 -0.288 -30.406 1.00 0.00 H new ATOM 0 HG SER B 3 -16.887 -0.072 -28.654 1.00 0.00 H new ATOM 856 N ALA B 4 -12.999 -2.263 -30.866 1.00 0.00 N ATOM 857 CA ALA B 4 -11.590 -2.625 -30.743 1.00 0.00 C ATOM 858 C ALA B 4 -11.068 -2.349 -29.315 1.00 0.00 C ATOM 859 O ALA B 4 -9.882 -2.546 -29.057 1.00 0.00 O ATOM 860 CB ALA B 4 -10.778 -1.843 -31.782 1.00 0.00 C ATOM 0 H ALA B 4 -13.167 -1.433 -31.435 1.00 0.00 H new ATOM 0 HA ALA B 4 -11.479 -3.693 -30.928 1.00 0.00 H new ATOM 0 HB1 ALA B 4 -9.724 -2.109 -31.696 1.00 0.00 H new ATOM 0 HB2 ALA B 4 -11.134 -2.090 -32.782 1.00 0.00 H new ATOM 0 HB3 ALA B 4 -10.898 -0.774 -31.608 1.00 0.00 H new ATOM 866 N VAL B 5 -11.916 -1.831 -28.419 1.00 0.00 N ATOM 867 CA VAL B 5 -11.655 -1.497 -27.026 1.00 0.00 C ATOM 868 C VAL B 5 -12.895 -1.877 -26.200 1.00 0.00 C ATOM 869 O VAL B 5 -13.963 -2.145 -26.762 1.00 0.00 O ATOM 870 CB VAL B 5 -11.283 -0.003 -26.897 1.00 0.00 C ATOM 871 CG1 VAL B 5 -9.995 0.304 -27.673 1.00 0.00 C ATOM 872 CG2 VAL B 5 -12.389 0.954 -27.376 1.00 0.00 C ATOM 0 H VAL B 5 -12.880 -1.620 -28.677 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.803 -2.058 -26.642 1.00 0.00 H new ATOM 0 HB VAL B 5 -11.141 0.169 -25.830 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -9.751 1.361 -27.569 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -9.178 -0.298 -27.275 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -10.140 0.067 -28.727 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -12.056 1.985 -27.255 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -12.605 0.763 -28.427 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -13.291 0.793 -26.785 1.00 0.00 H new ATOM 882 N ARG B 6 -12.793 -1.850 -24.868 1.00 0.00 N ATOM 883 CA ARG B 6 -13.868 -2.194 -23.939 1.00 0.00 C ATOM 884 C ARG B 6 -13.992 -1.156 -22.833 1.00 0.00 C ATOM 885 O ARG B 6 -15.061 -0.563 -22.724 1.00 0.00 O ATOM 886 CB ARG B 6 -13.601 -3.607 -23.398 1.00 0.00 C ATOM 887 CG ARG B 6 -14.533 -4.077 -22.277 1.00 0.00 C ATOM 888 CD ARG B 6 -16.003 -4.143 -22.706 1.00 0.00 C ATOM 889 NE ARG B 6 -16.793 -4.951 -21.765 1.00 0.00 N ATOM 890 CZ ARG B 6 -16.698 -6.279 -21.621 1.00 0.00 C ATOM 891 NH1 ARG B 6 -15.954 -7.019 -22.434 1.00 0.00 N ATOM 892 NH2 ARG B 6 -17.344 -6.883 -20.636 1.00 0.00 N ATOM 0 H ARG B 6 -11.932 -1.579 -24.394 1.00 0.00 H new ATOM 0 HA ARG B 6 -14.829 -2.191 -24.454 1.00 0.00 H new ATOM 0 HB2 ARG B 6 -13.674 -4.313 -24.226 1.00 0.00 H new ATOM 0 HB3 ARG B 6 -12.575 -3.648 -23.033 1.00 0.00 H new ATOM 0 HG2 ARG B 6 -14.215 -5.063 -21.938 1.00 0.00 H new ATOM 0 HG3 ARG B 6 -14.439 -3.401 -21.427 1.00 0.00 H new ATOM 0 HD2 ARG B 6 -16.415 -3.135 -22.760 1.00 0.00 H new ATOM 0 HD3 ARG B 6 -16.074 -4.570 -23.706 1.00 0.00 H new ATOM 0 HE ARG B 6 -17.466 -4.461 -21.176 1.00 0.00 H new ATOM 0 HH11 ARG B 6 -15.435 -6.578 -23.193 1.00 0.00 H new ATOM 0 HH12 ARG B 6 -15.901 -8.029 -22.299 1.00 0.00 H new ATOM 0 HH21 ARG B 6 -17.913 -6.337 -19.989 1.00 0.00 H new ATOM 0 HH22 ARG B 6 -17.273 -7.894 -20.524 1.00 0.00 H new ATOM 906 N LYS B 7 -12.930 -0.944 -22.044 1.00 0.00 N ATOM 907 CA LYS B 7 -12.836 0.003 -20.923 1.00 0.00 C ATOM 908 C LYS B 7 -14.148 0.153 -20.132 1.00 0.00 C ATOM 909 O LYS B 7 -14.812 1.188 -20.214 1.00 0.00 O ATOM 910 CB LYS B 7 -12.248 1.351 -21.398 1.00 0.00 C ATOM 911 CG LYS B 7 -12.924 2.010 -22.616 1.00 0.00 C ATOM 912 CD LYS B 7 -12.518 3.485 -22.726 1.00 0.00 C ATOM 913 CE LYS B 7 -13.069 4.101 -24.015 1.00 0.00 C ATOM 914 NZ LYS B 7 -12.818 5.555 -24.091 1.00 0.00 N ATOM 0 H LYS B 7 -12.061 -1.460 -22.179 1.00 0.00 H new ATOM 0 HA LYS B 7 -12.139 -0.421 -20.200 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -12.289 2.053 -20.565 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -11.195 1.198 -21.634 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -12.642 1.481 -23.526 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -14.007 1.931 -22.524 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -12.893 4.036 -21.864 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -11.431 3.571 -22.711 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -12.612 3.610 -24.874 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -14.141 3.916 -24.075 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -13.208 5.929 -24.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -13.275 6.029 -23.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -11.794 5.733 -24.061 1.00 0.00 H new ATOM 928 N LYS B 8 -14.526 -0.859 -19.340 1.00 0.00 N ATOM 929 CA LYS B 8 -15.757 -0.852 -18.546 1.00 0.00 C ATOM 930 C LYS B 8 -15.454 -0.934 -17.050 1.00 0.00 C ATOM 931 O LYS B 8 -15.254 -2.018 -16.497 1.00 0.00 O ATOM 932 CB LYS B 8 -16.696 -1.967 -19.043 1.00 0.00 C ATOM 933 CG LYS B 8 -18.117 -1.887 -18.458 1.00 0.00 C ATOM 934 CD LYS B 8 -18.815 -0.558 -18.804 1.00 0.00 C ATOM 935 CE LYS B 8 -20.331 -0.594 -18.586 1.00 0.00 C ATOM 936 NZ LYS B 8 -21.011 -1.473 -19.556 1.00 0.00 N ATOM 0 H LYS B 8 -13.979 -1.713 -19.233 1.00 0.00 H new ATOM 0 HA LYS B 8 -16.277 0.096 -18.684 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -16.757 -1.920 -20.130 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -16.262 -2.934 -18.790 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -18.712 -2.718 -18.838 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -18.069 -1.999 -17.375 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -18.386 0.238 -18.196 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -18.611 -0.309 -19.845 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -20.543 -0.939 -17.574 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -20.733 0.416 -18.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -22.038 -1.314 -19.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -20.672 -1.259 -20.516 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -20.803 -2.467 -19.329 1.00 0.00 H new ATOM 950 N SER B 9 -15.359 0.217 -16.404 1.00 0.00 N ATOM 951 CA SER B 9 -15.094 0.410 -14.982 1.00 0.00 C ATOM 952 C SER B 9 -16.409 0.343 -14.184 1.00 0.00 C ATOM 953 O SER B 9 -17.466 0.049 -14.751 1.00 0.00 O ATOM 954 CB SER B 9 -14.447 1.797 -14.867 1.00 0.00 C ATOM 955 OG SER B 9 -15.197 2.716 -15.646 1.00 0.00 O ATOM 0 H SER B 9 -15.473 1.106 -16.892 1.00 0.00 H new ATOM 0 HA SER B 9 -14.441 -0.363 -14.577 1.00 0.00 H new ATOM 0 HB2 SER B 9 -14.422 2.117 -13.825 1.00 0.00 H new ATOM 0 HB3 SER B 9 -13.414 1.762 -15.214 1.00 0.00 H new ATOM 0 HG SER B 9 -14.794 3.607 -15.579 1.00 0.00 H new ATOM 961 N GLU B 10 -16.355 0.539 -12.862 1.00 0.00 N ATOM 962 CA GLU B 10 -17.531 0.544 -11.991 1.00 0.00 C ATOM 963 C GLU B 10 -17.954 2.008 -11.789 1.00 0.00 C ATOM 964 O GLU B 10 -17.118 2.905 -11.913 1.00 0.00 O ATOM 965 CB GLU B 10 -17.224 -0.147 -10.651 1.00 0.00 C ATOM 966 CG GLU B 10 -18.475 -0.869 -10.139 1.00 0.00 C ATOM 967 CD GLU B 10 -18.216 -1.609 -8.828 1.00 0.00 C ATOM 968 OE1 GLU B 10 -18.246 -0.971 -7.751 1.00 0.00 O ATOM 969 OE2 GLU B 10 -17.959 -2.834 -8.873 1.00 0.00 O ATOM 0 H GLU B 10 -15.481 0.701 -12.362 1.00 0.00 H new ATOM 0 HA GLU B 10 -18.347 -0.016 -12.447 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -16.408 -0.859 -10.777 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -16.893 0.590 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -19.277 -0.145 -9.994 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -18.818 -1.578 -10.893 1.00 0.00 H new ATOM 976 N VAL B 11 -19.221 2.251 -11.444 1.00 0.00 N ATOM 977 CA VAL B 11 -19.787 3.585 -11.233 1.00 0.00 C ATOM 978 C VAL B 11 -19.064 4.330 -10.102 1.00 0.00 C ATOM 979 O VAL B 11 -18.404 5.348 -10.344 1.00 0.00 O ATOM 980 CB VAL B 11 -21.317 3.475 -11.023 1.00 0.00 C ATOM 981 CG1 VAL B 11 -21.957 4.847 -10.774 1.00 0.00 C ATOM 982 CG2 VAL B 11 -21.998 2.830 -12.243 1.00 0.00 C ATOM 0 H VAL B 11 -19.900 1.504 -11.300 1.00 0.00 H new ATOM 0 HA VAL B 11 -19.627 4.193 -12.124 1.00 0.00 H new ATOM 0 HB VAL B 11 -21.465 2.848 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -23.031 4.727 -10.631 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -21.520 5.296 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -21.775 5.494 -11.632 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -23.072 2.765 -12.068 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -21.810 3.438 -13.128 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -21.595 1.829 -12.398 1.00 0.00 H new ATOM 992 N ARG B 12 -19.204 3.869 -8.856 1.00 0.00 N ATOM 993 CA ARG B 12 -18.570 4.478 -7.690 1.00 0.00 C ATOM 994 C ARG B 12 -17.444 3.550 -7.279 1.00 0.00 C ATOM 995 O ARG B 12 -17.714 2.479 -6.736 1.00 0.00 O ATOM 996 CB ARG B 12 -19.588 4.679 -6.555 1.00 0.00 C ATOM 997 CG ARG B 12 -18.980 5.435 -5.357 1.00 0.00 C ATOM 998 CD ARG B 12 -19.192 6.955 -5.445 1.00 0.00 C ATOM 999 NE ARG B 12 -20.571 7.307 -5.055 1.00 0.00 N ATOM 1000 CZ ARG B 12 -21.025 7.341 -3.794 1.00 0.00 C ATOM 1001 NH1 ARG B 12 -20.178 7.330 -2.776 1.00 0.00 N ATOM 1002 NH2 ARG B 12 -22.327 7.373 -3.543 1.00 0.00 N ATOM 0 H ARG B 12 -19.769 3.051 -8.629 1.00 0.00 H new ATOM 0 HA ARG B 12 -18.180 5.469 -7.922 1.00 0.00 H new ATOM 0 HB2 ARG B 12 -20.448 5.232 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG B 12 -19.955 3.708 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG B 12 -19.425 5.063 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG B 12 -17.912 5.224 -5.303 1.00 0.00 H new ATOM 0 HD2 ARG B 12 -18.482 7.466 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG B 12 -18.996 7.297 -6.461 1.00 0.00 H new ATOM 0 HE ARG B 12 -21.227 7.542 -5.800 1.00 0.00 H new ATOM 0 HH11 ARG B 12 -19.173 7.296 -2.949 1.00 0.00 H new ATOM 0 HH12 ARG B 12 -20.530 7.356 -1.819 1.00 0.00 H new ATOM 0 HH21 ARG B 12 -22.995 7.372 -4.314 1.00 0.00 H new ATOM 0 HH22 ARG B 12 -22.660 7.399 -2.579 1.00 0.00 H new ATOM 1016 N GLN B 13 -16.211 3.906 -7.615 1.00 0.00 N ATOM 1017 CA GLN B 13 -15.035 3.126 -7.277 1.00 0.00 C ATOM 1018 C GLN B 13 -14.895 3.168 -5.751 1.00 0.00 C ATOM 1019 O GLN B 13 -14.495 4.182 -5.180 1.00 0.00 O ATOM 1020 CB GLN B 13 -13.854 3.680 -8.087 1.00 0.00 C ATOM 1021 CG GLN B 13 -12.614 2.775 -8.084 1.00 0.00 C ATOM 1022 CD GLN B 13 -11.782 2.894 -9.366 1.00 0.00 C ATOM 1023 OE1 GLN B 13 -11.211 1.912 -9.836 1.00 0.00 O ATOM 1024 NE2 GLN B 13 -11.721 4.053 -9.997 1.00 0.00 N ATOM 0 H GLN B 13 -16.000 4.757 -8.137 1.00 0.00 H new ATOM 0 HA GLN B 13 -15.092 2.071 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -14.175 3.836 -9.117 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -13.579 4.656 -7.688 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -11.989 3.027 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -12.928 1.739 -7.956 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -12.194 4.870 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -11.201 4.131 -10.871 1.00 0.00 H new ATOM 1033 N LYS B 14 -15.277 2.071 -5.095 1.00 0.00 N ATOM 1034 CA LYS B 14 -15.267 1.879 -3.641 1.00 0.00 C ATOM 1035 C LYS B 14 -13.881 1.689 -3.026 1.00 0.00 C ATOM 1036 O LYS B 14 -13.713 1.830 -1.820 1.00 0.00 O ATOM 1037 CB LYS B 14 -16.116 0.626 -3.350 1.00 0.00 C ATOM 1038 CG LYS B 14 -15.361 -0.678 -3.702 1.00 0.00 C ATOM 1039 CD LYS B 14 -16.255 -1.857 -4.062 1.00 0.00 C ATOM 1040 CE LYS B 14 -17.220 -2.256 -2.949 1.00 0.00 C ATOM 1041 NZ LYS B 14 -18.323 -3.045 -3.517 1.00 0.00 N ATOM 0 H LYS B 14 -15.620 1.247 -5.589 1.00 0.00 H new ATOM 0 HA LYS B 14 -15.661 2.789 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -16.393 0.612 -2.296 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -17.043 0.675 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -14.692 -0.479 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -14.736 -0.960 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -16.827 -1.608 -4.956 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -15.629 -2.713 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -16.696 -2.837 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -17.611 -1.366 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -18.981 -3.317 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -18.828 -2.476 -4.226 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -17.941 -3.901 -3.968 1.00 0.00 H new ATOM 1055 N THR B 15 -12.933 1.239 -3.836 1.00 0.00 N ATOM 1056 CA THR B 15 -11.566 0.954 -3.474 1.00 0.00 C ATOM 1057 C THR B 15 -10.717 2.224 -3.456 1.00 0.00 C ATOM 1058 O THR B 15 -11.213 3.353 -3.458 1.00 0.00 O ATOM 1059 CB THR B 15 -11.077 -0.147 -4.450 1.00 0.00 C ATOM 1060 OG1 THR B 15 -9.839 -0.701 -4.069 1.00 0.00 O ATOM 1061 CG2 THR B 15 -10.983 0.303 -5.909 1.00 0.00 C ATOM 0 H THR B 15 -13.117 1.054 -4.822 1.00 0.00 H new ATOM 0 HA THR B 15 -11.476 0.580 -2.454 1.00 0.00 H new ATOM 0 HB THR B 15 -11.855 -0.908 -4.383 1.00 0.00 H new ATOM 0 HG1 THR B 15 -9.827 -0.839 -3.099 1.00 0.00 H new ATOM 0 HG21 THR B 15 -10.634 -0.526 -6.524 1.00 0.00 H new ATOM 0 HG22 THR B 15 -11.966 0.622 -6.255 1.00 0.00 H new ATOM 0 HG23 THR B 15 -10.282 1.134 -5.989 1.00 0.00 H new ATOM 1069 N VAL B 16 -9.416 1.989 -3.356 1.00 0.00 N ATOM 1070 CA VAL B 16 -8.349 2.957 -3.345 1.00 0.00 C ATOM 1071 C VAL B 16 -7.228 2.268 -4.106 1.00 0.00 C ATOM 1072 O VAL B 16 -6.513 1.457 -3.518 1.00 0.00 O ATOM 1073 CB VAL B 16 -7.902 3.359 -1.923 1.00 0.00 C ATOM 1074 CG1 VAL B 16 -7.162 4.698 -2.014 1.00 0.00 C ATOM 1075 CG2 VAL B 16 -9.035 3.465 -0.911 1.00 0.00 C ATOM 0 H VAL B 16 -9.060 1.037 -3.274 1.00 0.00 H new ATOM 0 HA VAL B 16 -8.661 3.899 -3.795 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.258 2.561 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -6.836 5.002 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -6.293 4.590 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -7.830 5.455 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -8.630 3.752 0.060 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -9.750 4.218 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -9.537 2.501 -0.824 1.00 0.00 H new ATOM 1085 N VAL B 17 -7.152 2.458 -5.422 1.00 0.00 N ATOM 1086 CA VAL B 17 -6.091 1.862 -6.218 1.00 0.00 C ATOM 1087 C VAL B 17 -4.998 2.930 -6.252 1.00 0.00 C ATOM 1088 O VAL B 17 -5.235 4.063 -6.694 1.00 0.00 O ATOM 1089 CB VAL B 17 -6.629 1.345 -7.568 1.00 0.00 C ATOM 1090 CG1 VAL B 17 -7.079 2.416 -8.569 1.00 0.00 C ATOM 1091 CG2 VAL B 17 -5.589 0.429 -8.220 1.00 0.00 C ATOM 0 H VAL B 17 -7.814 3.021 -5.956 1.00 0.00 H new ATOM 0 HA VAL B 17 -5.662 0.949 -5.805 1.00 0.00 H new ATOM 0 HB VAL B 17 -7.541 0.804 -7.316 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -7.437 1.936 -9.479 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -7.882 3.009 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -6.238 3.066 -8.809 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -5.972 0.065 -9.174 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -4.667 0.986 -8.388 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -5.387 -0.417 -7.563 1.00 0.00 H new ATOM 1101 N ARG B 18 -3.814 2.624 -5.724 1.00 0.00 N ATOM 1102 CA ARG B 18 -2.711 3.578 -5.681 1.00 0.00 C ATOM 1103 C ARG B 18 -1.388 2.843 -5.857 1.00 0.00 C ATOM 1104 O ARG B 18 -1.352 1.614 -5.954 1.00 0.00 O ATOM 1105 CB ARG B 18 -2.817 4.342 -4.346 1.00 0.00 C ATOM 1106 CG ARG B 18 -2.477 5.839 -4.397 1.00 0.00 C ATOM 1107 CD ARG B 18 -2.961 6.445 -3.072 1.00 0.00 C ATOM 1108 NE ARG B 18 -2.705 7.889 -2.949 1.00 0.00 N ATOM 1109 CZ ARG B 18 -3.508 8.873 -3.378 1.00 0.00 C ATOM 1110 NH1 ARG B 18 -4.566 8.609 -4.140 1.00 0.00 N ATOM 1111 NH2 ARG B 18 -3.268 10.134 -3.033 1.00 0.00 N ATOM 0 H ARG B 18 -3.595 1.715 -5.317 1.00 0.00 H new ATOM 0 HA ARG B 18 -2.760 4.301 -6.495 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -3.834 4.233 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.156 3.864 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -1.405 5.989 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.967 6.319 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.031 6.266 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -2.472 5.927 -2.247 1.00 0.00 H new ATOM 0 HE ARG B 18 -1.835 8.167 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -4.776 7.647 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -5.167 9.369 -4.458 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -2.469 10.357 -2.439 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -3.882 10.879 -3.362 1.00 0.00 H new ATOM 1125 N THR B 19 -0.309 3.614 -5.907 1.00 0.00 N ATOM 1126 CA THR B 19 1.052 3.130 -6.079 1.00 0.00 C ATOM 1127 C THR B 19 1.775 3.479 -4.783 1.00 0.00 C ATOM 1128 O THR B 19 2.284 4.586 -4.605 1.00 0.00 O ATOM 1129 CB THR B 19 1.661 3.800 -7.315 1.00 0.00 C ATOM 1130 OG1 THR B 19 0.808 3.660 -8.438 1.00 0.00 O ATOM 1131 CG2 THR B 19 3.038 3.257 -7.678 1.00 0.00 C ATOM 0 H THR B 19 -0.361 4.629 -5.826 1.00 0.00 H new ATOM 0 HA THR B 19 1.121 2.056 -6.253 1.00 0.00 H new ATOM 0 HB THR B 19 1.774 4.852 -7.051 1.00 0.00 H new ATOM 0 HG1 THR B 19 1.216 4.096 -9.215 1.00 0.00 H new ATOM 0 HG21 THR B 19 3.412 3.774 -8.562 1.00 0.00 H new ATOM 0 HG22 THR B 19 3.724 3.418 -6.846 1.00 0.00 H new ATOM 0 HG23 THR B 19 2.965 2.190 -7.886 1.00 0.00 H new ATOM 1139 N LEU B 20 1.733 2.554 -3.837 1.00 0.00 N ATOM 1140 CA LEU B 20 2.343 2.693 -2.517 1.00 0.00 C ATOM 1141 C LEU B 20 3.718 2.052 -2.561 1.00 0.00 C ATOM 1142 O LEU B 20 3.798 0.827 -2.658 1.00 0.00 O ATOM 1143 CB LEU B 20 1.457 2.025 -1.442 1.00 0.00 C ATOM 1144 CG LEU B 20 1.359 2.765 -0.097 1.00 0.00 C ATOM 1145 CD1 LEU B 20 2.722 3.058 0.543 1.00 0.00 C ATOM 1146 CD2 LEU B 20 0.568 4.071 -0.235 1.00 0.00 C ATOM 0 H LEU B 20 1.261 1.659 -3.967 1.00 0.00 H new ATOM 0 HA LEU B 20 2.437 3.747 -2.254 1.00 0.00 H new ATOM 0 HB2 LEU B 20 0.451 1.912 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU B 20 1.840 1.022 -1.256 1.00 0.00 H new ATOM 0 HG LEU B 20 0.829 2.083 0.568 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.575 3.581 1.488 1.00 0.00 H new ATOM 0 HD12 LEU B 20 3.248 2.121 0.725 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.313 3.681 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU B 20 0.517 4.570 0.733 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.065 4.723 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -0.441 3.850 -0.583 1.00 0.00 H new ATOM 1158 N ARG B 21 4.787 2.848 -2.578 1.00 0.00 N ATOM 1159 CA ARG B 21 6.134 2.310 -2.596 1.00 0.00 C ATOM 1160 C ARG B 21 6.681 2.143 -1.191 1.00 0.00 C ATOM 1161 O ARG B 21 6.263 2.858 -0.271 1.00 0.00 O ATOM 1162 CB ARG B 21 7.051 3.213 -3.417 1.00 0.00 C ATOM 1163 CG ARG B 21 6.567 3.289 -4.868 1.00 0.00 C ATOM 1164 CD ARG B 21 7.746 3.373 -5.825 1.00 0.00 C ATOM 1165 NE ARG B 21 8.521 4.617 -5.661 1.00 0.00 N ATOM 1166 CZ ARG B 21 8.767 5.508 -6.629 1.00 0.00 C ATOM 1167 NH1 ARG B 21 8.500 5.238 -7.898 1.00 0.00 N ATOM 1168 NH2 ARG B 21 9.251 6.701 -6.323 1.00 0.00 N ATOM 0 H ARG B 21 4.739 3.867 -2.580 1.00 0.00 H new ATOM 0 HA ARG B 21 6.096 1.324 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG B 21 7.073 4.212 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG B 21 8.071 2.830 -3.387 1.00 0.00 H new ATOM 0 HG2 ARG B 21 5.964 2.411 -5.102 1.00 0.00 H new ATOM 0 HG3 ARG B 21 5.925 4.160 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG B 21 8.401 2.517 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG B 21 7.382 3.308 -6.851 1.00 0.00 H new ATOM 0 HE ARG B 21 8.900 4.814 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG B 21 8.099 4.336 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG B 21 8.696 5.932 -8.619 1.00 0.00 H new ATOM 0 HH21 ARG B 21 9.437 6.942 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG B 21 9.438 7.380 -7.061 1.00 0.00 H new ATOM 1182 N PHE B 22 7.644 1.237 -1.051 1.00 0.00 N ATOM 1183 CA PHE B 22 8.309 0.922 0.207 1.00 0.00 C ATOM 1184 C PHE B 22 9.801 0.809 -0.071 1.00 0.00 C ATOM 1185 O PHE B 22 10.180 0.382 -1.165 1.00 0.00 O ATOM 1186 CB PHE B 22 7.756 -0.384 0.797 1.00 0.00 C ATOM 1187 CG PHE B 22 6.293 -0.321 1.200 1.00 0.00 C ATOM 1188 CD1 PHE B 22 5.283 -0.644 0.271 1.00 0.00 C ATOM 1189 CD2 PHE B 22 5.937 0.052 2.511 1.00 0.00 C ATOM 1190 CE1 PHE B 22 3.930 -0.594 0.649 1.00 0.00 C ATOM 1191 CE2 PHE B 22 4.585 0.088 2.892 1.00 0.00 C ATOM 1192 CZ PHE B 22 3.580 -0.230 1.963 1.00 0.00 C ATOM 0 H PHE B 22 7.993 0.685 -1.835 1.00 0.00 H new ATOM 0 HA PHE B 22 8.127 1.707 0.941 1.00 0.00 H new ATOM 0 HB2 PHE B 22 7.885 -1.182 0.066 1.00 0.00 H new ATOM 0 HB3 PHE B 22 8.350 -0.654 1.671 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.550 -0.931 -0.735 1.00 0.00 H new ATOM 0 HD2 PHE B 22 6.705 0.311 3.225 1.00 0.00 H new ATOM 0 HE1 PHE B 22 3.159 -0.835 -0.068 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.317 0.361 3.902 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.541 -0.195 2.256 1.00 0.00 H new ATOM 1202 N SER B 23 10.647 1.242 0.856 1.00 0.00 N ATOM 1203 CA SER B 23 12.100 1.179 0.716 1.00 0.00 C ATOM 1204 C SER B 23 12.585 -0.271 0.924 1.00 0.00 C ATOM 1205 O SER B 23 11.808 -1.095 1.409 1.00 0.00 O ATOM 1206 CB SER B 23 12.715 2.234 1.649 1.00 0.00 C ATOM 1207 OG SER B 23 12.914 3.400 0.873 1.00 0.00 O ATOM 0 H SER B 23 10.341 1.652 1.738 1.00 0.00 H new ATOM 0 HA SER B 23 12.436 1.431 -0.290 1.00 0.00 H new ATOM 0 HB2 SER B 23 12.053 2.438 2.491 1.00 0.00 H new ATOM 0 HB3 SER B 23 13.659 1.880 2.064 1.00 0.00 H new ATOM 0 HG SER B 23 13.305 4.103 1.433 1.00 0.00 H new ATOM 1213 N PRO B 24 13.850 -0.616 0.610 1.00 0.00 N ATOM 1214 CA PRO B 24 14.356 -1.985 0.743 1.00 0.00 C ATOM 1215 C PRO B 24 14.316 -2.506 2.176 1.00 0.00 C ATOM 1216 O PRO B 24 13.970 -3.664 2.410 1.00 0.00 O ATOM 1217 CB PRO B 24 15.779 -1.974 0.172 1.00 0.00 C ATOM 1218 CG PRO B 24 16.192 -0.508 0.265 1.00 0.00 C ATOM 1219 CD PRO B 24 14.881 0.245 0.053 1.00 0.00 C ATOM 0 HA PRO B 24 13.715 -2.675 0.195 1.00 0.00 H new ATOM 0 HB2 PRO B 24 16.447 -2.616 0.747 1.00 0.00 H new ATOM 0 HB3 PRO B 24 15.801 -2.332 -0.857 1.00 0.00 H new ATOM 0 HG2 PRO B 24 16.636 -0.277 1.233 1.00 0.00 H new ATOM 0 HG3 PRO B 24 16.930 -0.250 -0.494 1.00 0.00 H new ATOM 0 HD2 PRO B 24 14.898 1.213 0.554 1.00 0.00 H new ATOM 0 HD3 PRO B 24 14.704 0.437 -1.005 1.00 0.00 H new ATOM 1227 N VAL B 25 14.665 -1.666 3.146 1.00 0.00 N ATOM 1228 CA VAL B 25 14.655 -2.052 4.548 1.00 0.00 C ATOM 1229 C VAL B 25 13.200 -2.172 5.031 1.00 0.00 C ATOM 1230 O VAL B 25 12.920 -3.002 5.892 1.00 0.00 O ATOM 1231 CB VAL B 25 15.529 -1.046 5.318 1.00 0.00 C ATOM 1232 CG1 VAL B 25 15.346 -1.113 6.840 1.00 0.00 C ATOM 1233 CG2 VAL B 25 17.008 -1.284 4.969 1.00 0.00 C ATOM 0 H VAL B 25 14.961 -0.704 2.981 1.00 0.00 H new ATOM 0 HA VAL B 25 15.090 -3.036 4.723 1.00 0.00 H new ATOM 0 HB VAL B 25 15.209 -0.051 5.009 1.00 0.00 H new ATOM 0 HG11 VAL B 25 15.993 -0.377 7.317 1.00 0.00 H new ATOM 0 HG12 VAL B 25 14.307 -0.900 7.091 1.00 0.00 H new ATOM 0 HG13 VAL B 25 15.608 -2.110 7.194 1.00 0.00 H new ATOM 0 HG21 VAL B 25 17.629 -0.573 5.513 1.00 0.00 H new ATOM 0 HG22 VAL B 25 17.289 -2.299 5.249 1.00 0.00 H new ATOM 0 HG23 VAL B 25 17.155 -1.149 3.897 1.00 0.00 H new ATOM 1243 N GLU B 26 12.276 -1.346 4.513 1.00 0.00 N ATOM 1244 CA GLU B 26 10.868 -1.426 4.909 1.00 0.00 C ATOM 1245 C GLU B 26 10.321 -2.768 4.422 1.00 0.00 C ATOM 1246 O GLU B 26 9.649 -3.482 5.161 1.00 0.00 O ATOM 1247 CB GLU B 26 10.024 -0.286 4.306 1.00 0.00 C ATOM 1248 CG GLU B 26 10.454 1.113 4.759 1.00 0.00 C ATOM 1249 CD GLU B 26 9.526 2.215 4.230 1.00 0.00 C ATOM 1250 OE1 GLU B 26 9.126 2.188 3.047 1.00 0.00 O ATOM 1251 OE2 GLU B 26 9.262 3.183 4.977 1.00 0.00 O ATOM 0 H GLU B 26 12.480 -0.622 3.824 1.00 0.00 H new ATOM 0 HA GLU B 26 10.806 -1.334 5.993 1.00 0.00 H new ATOM 0 HB2 GLU B 26 10.084 -0.339 3.219 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.979 -0.439 4.576 1.00 0.00 H new ATOM 0 HG2 GLU B 26 10.471 1.149 5.848 1.00 0.00 H new ATOM 0 HG3 GLU B 26 11.471 1.305 4.418 1.00 0.00 H new ATOM 1258 N ASP B 27 10.633 -3.088 3.167 1.00 0.00 N ATOM 1259 CA ASP B 27 10.264 -4.299 2.456 1.00 0.00 C ATOM 1260 C ASP B 27 10.794 -5.512 3.187 1.00 0.00 C ATOM 1261 O ASP B 27 10.013 -6.417 3.439 1.00 0.00 O ATOM 1262 CB ASP B 27 10.837 -4.192 1.033 1.00 0.00 C ATOM 1263 CG ASP B 27 10.993 -5.492 0.232 1.00 0.00 C ATOM 1264 OD1 ASP B 27 10.208 -6.451 0.382 1.00 0.00 O ATOM 1265 OD2 ASP B 27 11.920 -5.556 -0.613 1.00 0.00 O ATOM 0 H ASP B 27 11.189 -2.461 2.585 1.00 0.00 H new ATOM 0 HA ASP B 27 9.181 -4.411 2.403 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.196 -3.520 0.462 1.00 0.00 H new ATOM 0 HB3 ASP B 27 11.816 -3.718 1.100 1.00 0.00 H new ATOM 1270 N GLU B 28 12.071 -5.525 3.573 1.00 0.00 N ATOM 1271 CA GLU B 28 12.645 -6.654 4.289 1.00 0.00 C ATOM 1272 C GLU B 28 11.838 -6.929 5.559 1.00 0.00 C ATOM 1273 O GLU B 28 11.445 -8.068 5.803 1.00 0.00 O ATOM 1274 CB GLU B 28 14.122 -6.384 4.636 1.00 0.00 C ATOM 1275 CG GLU B 28 14.740 -7.592 5.367 1.00 0.00 C ATOM 1276 CD GLU B 28 16.125 -7.353 5.972 1.00 0.00 C ATOM 1277 OE1 GLU B 28 16.617 -6.199 6.037 1.00 0.00 O ATOM 1278 OE2 GLU B 28 16.723 -8.343 6.467 1.00 0.00 O ATOM 0 H GLU B 28 12.725 -4.762 3.399 1.00 0.00 H new ATOM 0 HA GLU B 28 12.604 -7.534 3.647 1.00 0.00 H new ATOM 0 HB2 GLU B 28 14.683 -6.178 3.724 1.00 0.00 H new ATOM 0 HB3 GLU B 28 14.197 -5.496 5.263 1.00 0.00 H new ATOM 0 HG2 GLU B 28 14.062 -7.899 6.163 1.00 0.00 H new ATOM 0 HG3 GLU B 28 14.807 -8.424 4.666 1.00 0.00 H new ATOM 1285 N THR B 29 11.601 -5.902 6.376 1.00 0.00 N ATOM 1286 CA THR B 29 10.869 -6.046 7.620 1.00 0.00 C ATOM 1287 C THR B 29 9.450 -6.545 7.363 1.00 0.00 C ATOM 1288 O THR B 29 9.058 -7.583 7.901 1.00 0.00 O ATOM 1289 CB THR B 29 10.903 -4.702 8.370 1.00 0.00 C ATOM 1290 OG1 THR B 29 12.242 -4.397 8.716 1.00 0.00 O ATOM 1291 CG2 THR B 29 10.058 -4.705 9.645 1.00 0.00 C ATOM 0 H THR B 29 11.914 -4.950 6.188 1.00 0.00 H new ATOM 0 HA THR B 29 11.340 -6.800 8.250 1.00 0.00 H new ATOM 0 HB THR B 29 10.482 -3.953 7.699 1.00 0.00 H new ATOM 0 HG1 THR B 29 12.674 -3.928 7.971 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.124 -3.730 10.127 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.019 -4.916 9.392 1.00 0.00 H new ATOM 0 HG23 THR B 29 10.429 -5.472 10.325 1.00 0.00 H new ATOM 1299 N ILE B 30 8.692 -5.818 6.541 1.00 0.00 N ATOM 1300 CA ILE B 30 7.317 -6.155 6.230 1.00 0.00 C ATOM 1301 C ILE B 30 7.215 -7.562 5.643 1.00 0.00 C ATOM 1302 O ILE B 30 6.394 -8.346 6.102 1.00 0.00 O ATOM 1303 CB ILE B 30 6.668 -5.053 5.372 1.00 0.00 C ATOM 1304 CG1 ILE B 30 6.523 -3.749 6.190 1.00 0.00 C ATOM 1305 CG2 ILE B 30 5.263 -5.499 4.940 1.00 0.00 C ATOM 1306 CD1 ILE B 30 6.171 -2.535 5.325 1.00 0.00 C ATOM 0 H ILE B 30 9.024 -4.975 6.073 1.00 0.00 H new ATOM 0 HA ILE B 30 6.734 -6.189 7.150 1.00 0.00 H new ATOM 0 HB ILE B 30 7.302 -4.878 4.503 1.00 0.00 H new ATOM 0 HG12 ILE B 30 5.750 -3.885 6.946 1.00 0.00 H new ATOM 0 HG13 ILE B 30 7.456 -3.553 6.719 1.00 0.00 H new ATOM 0 HG21 ILE B 30 4.804 -4.719 4.333 1.00 0.00 H new ATOM 0 HG22 ILE B 30 5.336 -6.417 4.357 1.00 0.00 H new ATOM 0 HG23 ILE B 30 4.650 -5.678 5.824 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.083 -1.651 5.957 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.956 -2.376 4.585 1.00 0.00 H new ATOM 0 HD13 ILE B 30 5.224 -2.713 4.816 1.00 0.00 H new ATOM 1318 N ARG B 31 8.018 -7.905 4.637 1.00 0.00 N ATOM 1319 CA ARG B 31 7.996 -9.217 3.996 1.00 0.00 C ATOM 1320 C ARG B 31 8.297 -10.324 4.994 1.00 0.00 C ATOM 1321 O ARG B 31 7.627 -11.356 4.961 1.00 0.00 O ATOM 1322 CB ARG B 31 9.021 -9.229 2.853 1.00 0.00 C ATOM 1323 CG ARG B 31 9.153 -10.584 2.142 1.00 0.00 C ATOM 1324 CD ARG B 31 10.373 -10.544 1.225 1.00 0.00 C ATOM 1325 NE ARG B 31 10.825 -11.887 0.842 1.00 0.00 N ATOM 1326 CZ ARG B 31 11.967 -12.153 0.202 1.00 0.00 C ATOM 1327 NH1 ARG B 31 12.740 -11.166 -0.248 1.00 0.00 N ATOM 1328 NH2 ARG B 31 12.310 -13.424 0.039 1.00 0.00 N ATOM 0 H ARG B 31 8.711 -7.271 4.240 1.00 0.00 H new ATOM 0 HA ARG B 31 6.998 -9.401 3.598 1.00 0.00 H new ATOM 0 HB2 ARG B 31 8.741 -8.472 2.120 1.00 0.00 H new ATOM 0 HB3 ARG B 31 9.995 -8.943 3.250 1.00 0.00 H new ATOM 0 HG2 ARG B 31 9.257 -11.385 2.874 1.00 0.00 H new ATOM 0 HG3 ARG B 31 8.254 -10.796 1.564 1.00 0.00 H new ATOM 0 HD2 ARG B 31 10.132 -9.974 0.328 1.00 0.00 H new ATOM 0 HD3 ARG B 31 11.185 -10.019 1.727 1.00 0.00 H new ATOM 0 HE ARG B 31 10.223 -12.675 1.082 1.00 0.00 H new ATOM 0 HH11 ARG B 31 12.462 -10.195 -0.105 1.00 0.00 H new ATOM 0 HH12 ARG B 31 13.610 -11.381 -0.735 1.00 0.00 H new ATOM 0 HH21 ARG B 31 11.708 -14.165 0.398 1.00 0.00 H new ATOM 0 HH22 ARG B 31 13.176 -13.660 -0.445 1.00 0.00 H new ATOM 1342 N LYS B 32 9.309 -10.143 5.844 1.00 0.00 N ATOM 1343 CA LYS B 32 9.675 -11.165 6.814 1.00 0.00 C ATOM 1344 C LYS B 32 8.559 -11.382 7.807 1.00 0.00 C ATOM 1345 O LYS B 32 8.256 -12.531 8.113 1.00 0.00 O ATOM 1346 CB LYS B 32 10.983 -10.822 7.538 1.00 0.00 C ATOM 1347 CG LYS B 32 12.193 -11.484 6.865 1.00 0.00 C ATOM 1348 CD LYS B 32 12.527 -10.957 5.460 1.00 0.00 C ATOM 1349 CE LYS B 32 13.051 -12.054 4.531 1.00 0.00 C ATOM 1350 NZ LYS B 32 14.283 -12.693 5.025 1.00 0.00 N ATOM 0 H LYS B 32 9.884 -9.301 5.877 1.00 0.00 H new ATOM 0 HA LYS B 32 9.839 -12.092 6.264 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.120 -9.741 7.550 1.00 0.00 H new ATOM 0 HB3 LYS B 32 10.921 -11.147 8.576 1.00 0.00 H new ATOM 0 HG2 LYS B 32 13.065 -11.347 7.504 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.011 -12.557 6.800 1.00 0.00 H new ATOM 0 HD2 LYS B 32 11.635 -10.510 5.022 1.00 0.00 H new ATOM 0 HD3 LYS B 32 13.273 -10.166 5.540 1.00 0.00 H new ATOM 0 HE2 LYS B 32 12.280 -12.814 4.406 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.240 -11.627 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.587 -13.426 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 15.032 -11.977 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 14.101 -13.127 5.952 1.00 0.00 H new ATOM 1364 N LYS B 33 7.970 -10.311 8.336 1.00 0.00 N ATOM 1365 CA LYS B 33 6.898 -10.440 9.309 1.00 0.00 C ATOM 1366 C LYS B 33 5.667 -11.044 8.638 1.00 0.00 C ATOM 1367 O LYS B 33 5.099 -11.998 9.156 1.00 0.00 O ATOM 1368 CB LYS B 33 6.623 -9.070 9.950 1.00 0.00 C ATOM 1369 CG LYS B 33 5.944 -9.195 11.321 1.00 0.00 C ATOM 1370 CD LYS B 33 6.911 -9.628 12.433 1.00 0.00 C ATOM 1371 CE LYS B 33 6.244 -9.611 13.815 1.00 0.00 C ATOM 1372 NZ LYS B 33 5.799 -8.268 14.237 1.00 0.00 N ATOM 0 H LYS B 33 8.219 -9.349 8.105 1.00 0.00 H new ATOM 0 HA LYS B 33 7.186 -11.118 10.112 1.00 0.00 H new ATOM 0 HB2 LYS B 33 7.562 -8.528 10.060 1.00 0.00 H new ATOM 0 HB3 LYS B 33 5.991 -8.481 9.286 1.00 0.00 H new ATOM 0 HG2 LYS B 33 5.498 -8.237 11.588 1.00 0.00 H new ATOM 0 HG3 LYS B 33 5.131 -9.917 11.253 1.00 0.00 H new ATOM 0 HD2 LYS B 33 7.281 -10.631 12.221 1.00 0.00 H new ATOM 0 HD3 LYS B 33 7.776 -8.965 12.440 1.00 0.00 H new ATOM 0 HE2 LYS B 33 5.386 -10.283 13.804 1.00 0.00 H new ATOM 0 HE3 LYS B 33 6.945 -10.002 14.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 5.531 -8.291 15.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 6.573 -7.587 14.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 4.979 -7.979 13.666 1.00 0.00 H new ATOM 1386 N ALA B 34 5.290 -10.536 7.468 1.00 0.00 N ATOM 1387 CA ALA B 34 4.145 -10.978 6.690 1.00 0.00 C ATOM 1388 C ALA B 34 4.201 -12.471 6.352 1.00 0.00 C ATOM 1389 O ALA B 34 3.263 -13.217 6.645 1.00 0.00 O ATOM 1390 CB ALA B 34 4.078 -10.140 5.404 1.00 0.00 C ATOM 0 H ALA B 34 5.798 -9.773 7.020 1.00 0.00 H new ATOM 0 HA ALA B 34 3.247 -10.834 7.291 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.224 -10.458 4.807 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.969 -9.087 5.661 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.994 -10.280 4.830 1.00 0.00 H new ATOM 1396 N GLU B 35 5.296 -12.918 5.732 1.00 0.00 N ATOM 1397 CA GLU B 35 5.416 -14.313 5.319 1.00 0.00 C ATOM 1398 C GLU B 35 5.571 -15.257 6.511 1.00 0.00 C ATOM 1399 O GLU B 35 5.209 -16.433 6.425 1.00 0.00 O ATOM 1400 CB GLU B 35 6.511 -14.455 4.250 1.00 0.00 C ATOM 1401 CG GLU B 35 6.354 -15.753 3.439 1.00 0.00 C ATOM 1402 CD GLU B 35 6.798 -15.589 1.983 1.00 0.00 C ATOM 1403 OE1 GLU B 35 5.976 -15.168 1.136 1.00 0.00 O ATOM 1404 OE2 GLU B 35 7.949 -15.944 1.629 1.00 0.00 O ATOM 0 H GLU B 35 6.104 -12.338 5.508 1.00 0.00 H new ATOM 0 HA GLU B 35 4.483 -14.626 4.851 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.474 -13.599 3.576 1.00 0.00 H new ATOM 0 HB3 GLU B 35 7.490 -14.442 4.729 1.00 0.00 H new ATOM 0 HG2 GLU B 35 6.940 -16.544 3.908 1.00 0.00 H new ATOM 0 HG3 GLU B 35 5.312 -16.070 3.465 1.00 0.00 H new ATOM 1411 N ASP B 36 6.109 -14.774 7.628 1.00 0.00 N ATOM 1412 CA ASP B 36 6.273 -15.570 8.841 1.00 0.00 C ATOM 1413 C ASP B 36 4.913 -15.734 9.519 1.00 0.00 C ATOM 1414 O ASP B 36 4.561 -16.826 9.960 1.00 0.00 O ATOM 1415 CB ASP B 36 7.236 -14.860 9.785 1.00 0.00 C ATOM 1416 CG ASP B 36 7.257 -15.507 11.159 1.00 0.00 C ATOM 1417 OD1 ASP B 36 7.681 -16.679 11.275 1.00 0.00 O ATOM 1418 OD2 ASP B 36 6.933 -14.800 12.138 1.00 0.00 O ATOM 0 H ASP B 36 6.445 -13.815 7.717 1.00 0.00 H new ATOM 0 HA ASP B 36 6.675 -16.551 8.589 1.00 0.00 H new ATOM 0 HB2 ASP B 36 8.240 -14.876 9.360 1.00 0.00 H new ATOM 0 HB3 ASP B 36 6.947 -13.813 9.880 1.00 0.00 H new ATOM 1423 N SER B 37 4.144 -14.646 9.566 1.00 0.00 N ATOM 1424 CA SER B 37 2.821 -14.560 10.160 1.00 0.00 C ATOM 1425 C SER B 37 1.792 -15.338 9.340 1.00 0.00 C ATOM 1426 O SER B 37 0.783 -15.798 9.884 1.00 0.00 O ATOM 1427 CB SER B 37 2.460 -13.070 10.212 1.00 0.00 C ATOM 1428 OG SER B 37 1.206 -12.830 10.802 1.00 0.00 O ATOM 0 H SER B 37 4.448 -13.757 9.168 1.00 0.00 H new ATOM 0 HA SER B 37 2.819 -15.001 11.157 1.00 0.00 H new ATOM 0 HB2 SER B 37 3.227 -12.535 10.772 1.00 0.00 H new ATOM 0 HB3 SER B 37 2.463 -12.665 9.200 1.00 0.00 H new ATOM 0 HG SER B 37 1.028 -11.866 10.811 1.00 0.00 H new ATOM 1434 N GLY B 38 2.056 -15.547 8.047 1.00 0.00 N ATOM 1435 CA GLY B 38 1.147 -16.247 7.156 1.00 0.00 C ATOM 1436 C GLY B 38 0.045 -15.303 6.671 1.00 0.00 C ATOM 1437 O GLY B 38 -1.061 -15.728 6.337 1.00 0.00 O ATOM 0 H GLY B 38 2.913 -15.231 7.593 1.00 0.00 H new ATOM 0 HA2 GLY B 38 1.697 -16.643 6.303 1.00 0.00 H new ATOM 0 HA3 GLY B 38 0.704 -17.098 7.673 1.00 0.00 H new ATOM 1441 N LEU B 39 0.317 -14.001 6.702 1.00 0.00 N ATOM 1442 CA LEU B 39 -0.543 -12.921 6.270 1.00 0.00 C ATOM 1443 C LEU B 39 0.335 -12.301 5.209 1.00 0.00 C ATOM 1444 O LEU B 39 1.228 -11.533 5.553 1.00 0.00 O ATOM 1445 CB LEU B 39 -0.887 -11.939 7.407 1.00 0.00 C ATOM 1446 CG LEU B 39 -1.841 -12.506 8.472 1.00 0.00 C ATOM 1447 CD1 LEU B 39 -2.119 -11.440 9.536 1.00 0.00 C ATOM 1448 CD2 LEU B 39 -3.169 -12.991 7.874 1.00 0.00 C ATOM 0 H LEU B 39 1.209 -13.657 7.056 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.529 -13.233 5.925 1.00 0.00 H new ATOM 0 HB2 LEU B 39 0.037 -11.628 7.894 1.00 0.00 H new ATOM 0 HB3 LEU B 39 -1.336 -11.045 6.974 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.349 -13.370 8.919 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.795 -11.845 10.289 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.182 -11.146 10.010 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -2.577 -10.569 9.067 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -3.805 -13.381 8.669 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -3.672 -12.158 7.382 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -2.974 -13.778 7.146 1.00 0.00 H new ATOM 1460 N THR B 40 0.143 -12.680 3.942 1.00 0.00 N ATOM 1461 CA THR B 40 0.942 -12.169 2.836 1.00 0.00 C ATOM 1462 C THR B 40 1.025 -10.648 2.900 1.00 0.00 C ATOM 1463 O THR B 40 0.167 -9.997 3.496 1.00 0.00 O ATOM 1464 CB THR B 40 0.470 -12.767 1.507 1.00 0.00 C ATOM 1465 OG1 THR B 40 1.480 -12.617 0.525 1.00 0.00 O ATOM 1466 CG2 THR B 40 -0.833 -12.144 1.006 1.00 0.00 C ATOM 0 H THR B 40 -0.572 -13.350 3.659 1.00 0.00 H new ATOM 0 HA THR B 40 1.977 -12.500 2.922 1.00 0.00 H new ATOM 0 HB THR B 40 0.273 -13.824 1.686 1.00 0.00 H new ATOM 0 HG1 THR B 40 1.173 -13.003 -0.322 1.00 0.00 H new ATOM 0 HG21 THR B 40 -1.118 -12.607 0.061 1.00 0.00 H new ATOM 0 HG22 THR B 40 -1.620 -12.306 1.742 1.00 0.00 H new ATOM 0 HG23 THR B 40 -0.691 -11.074 0.857 1.00 0.00 H new ATOM 1474 N VAL B 41 2.034 -10.066 2.255 1.00 0.00 N ATOM 1475 CA VAL B 41 2.296 -8.643 2.269 1.00 0.00 C ATOM 1476 C VAL B 41 1.024 -7.802 2.148 1.00 0.00 C ATOM 1477 O VAL B 41 0.812 -6.900 2.960 1.00 0.00 O ATOM 1478 CB VAL B 41 3.417 -8.284 1.272 1.00 0.00 C ATOM 1479 CG1 VAL B 41 3.660 -6.772 1.192 1.00 0.00 C ATOM 1480 CG2 VAL B 41 4.741 -8.944 1.695 1.00 0.00 C ATOM 0 H VAL B 41 2.705 -10.592 1.696 1.00 0.00 H new ATOM 0 HA VAL B 41 2.679 -8.374 3.253 1.00 0.00 H new ATOM 0 HB VAL B 41 3.089 -8.647 0.298 1.00 0.00 H new ATOM 0 HG11 VAL B 41 4.458 -6.569 0.478 1.00 0.00 H new ATOM 0 HG12 VAL B 41 2.747 -6.273 0.867 1.00 0.00 H new ATOM 0 HG13 VAL B 41 3.949 -6.397 2.174 1.00 0.00 H new ATOM 0 HG21 VAL B 41 5.522 -8.682 0.982 1.00 0.00 H new ATOM 0 HG22 VAL B 41 5.022 -8.592 2.687 1.00 0.00 H new ATOM 0 HG23 VAL B 41 4.617 -10.027 1.716 1.00 0.00 H new ATOM 1490 N SER B 42 0.132 -8.094 1.209 1.00 0.00 N ATOM 1491 CA SER B 42 -1.061 -7.256 1.122 1.00 0.00 C ATOM 1492 C SER B 42 -1.963 -7.375 2.365 1.00 0.00 C ATOM 1493 O SER B 42 -2.429 -6.359 2.883 1.00 0.00 O ATOM 1494 CB SER B 42 -1.836 -7.529 -0.171 1.00 0.00 C ATOM 1495 OG SER B 42 -1.808 -8.906 -0.498 1.00 0.00 O ATOM 0 H SER B 42 0.199 -8.856 0.534 1.00 0.00 H new ATOM 0 HA SER B 42 -0.718 -6.222 1.094 1.00 0.00 H new ATOM 0 HB2 SER B 42 -2.869 -7.200 -0.057 1.00 0.00 H new ATOM 0 HB3 SER B 42 -1.405 -6.949 -0.987 1.00 0.00 H new ATOM 0 HG SER B 42 -2.311 -9.056 -1.326 1.00 0.00 H new ATOM 1501 N ALA B 43 -2.217 -8.604 2.829 1.00 0.00 N ATOM 1502 CA ALA B 43 -3.033 -8.913 4.000 1.00 0.00 C ATOM 1503 C ALA B 43 -2.424 -8.283 5.256 1.00 0.00 C ATOM 1504 O ALA B 43 -3.143 -7.677 6.046 1.00 0.00 O ATOM 1505 CB ALA B 43 -3.158 -10.432 4.172 1.00 0.00 C ATOM 0 H ALA B 43 -1.844 -9.440 2.379 1.00 0.00 H new ATOM 0 HA ALA B 43 -4.029 -8.495 3.852 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -3.769 -10.650 5.048 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -3.628 -10.861 3.287 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -2.167 -10.866 4.303 1.00 0.00 H new ATOM 1511 N TYR B 44 -1.107 -8.410 5.437 1.00 0.00 N ATOM 1512 CA TYR B 44 -0.391 -7.856 6.573 1.00 0.00 C ATOM 1513 C TYR B 44 -0.553 -6.336 6.598 1.00 0.00 C ATOM 1514 O TYR B 44 -0.883 -5.800 7.646 1.00 0.00 O ATOM 1515 CB TYR B 44 1.044 -8.369 6.587 1.00 0.00 C ATOM 1516 CG TYR B 44 1.939 -7.761 7.649 1.00 0.00 C ATOM 1517 CD1 TYR B 44 2.434 -6.449 7.517 1.00 0.00 C ATOM 1518 CD2 TYR B 44 2.281 -8.517 8.786 1.00 0.00 C ATOM 1519 CE1 TYR B 44 3.317 -5.921 8.462 1.00 0.00 C ATOM 1520 CE2 TYR B 44 3.107 -7.964 9.777 1.00 0.00 C ATOM 1521 CZ TYR B 44 3.645 -6.668 9.615 1.00 0.00 C ATOM 1522 OH TYR B 44 4.476 -6.160 10.562 1.00 0.00 O ATOM 0 H TYR B 44 -0.504 -8.910 4.783 1.00 0.00 H new ATOM 0 HA TYR B 44 -0.818 -8.200 7.515 1.00 0.00 H new ATOM 0 HB2 TYR B 44 1.025 -9.450 6.727 1.00 0.00 H new ATOM 0 HB3 TYR B 44 1.489 -8.182 5.610 1.00 0.00 H new ATOM 0 HD1 TYR B 44 2.128 -5.845 6.676 1.00 0.00 H new ATOM 0 HD2 TYR B 44 1.907 -9.524 8.896 1.00 0.00 H new ATOM 0 HE1 TYR B 44 3.748 -4.942 8.311 1.00 0.00 H new ATOM 0 HE2 TYR B 44 3.332 -8.532 10.668 1.00 0.00 H new ATOM 0 HH TYR B 44 4.432 -5.181 10.545 1.00 0.00 H new ATOM 1532 N ILE B 45 -0.385 -5.631 5.467 1.00 0.00 N ATOM 1533 CA ILE B 45 -0.535 -4.173 5.433 1.00 0.00 C ATOM 1534 C ILE B 45 -1.928 -3.774 5.916 1.00 0.00 C ATOM 1535 O ILE B 45 -2.048 -3.051 6.900 1.00 0.00 O ATOM 1536 CB ILE B 45 -0.257 -3.601 4.020 1.00 0.00 C ATOM 1537 CG1 ILE B 45 1.232 -3.603 3.627 1.00 0.00 C ATOM 1538 CG2 ILE B 45 -0.816 -2.175 3.840 1.00 0.00 C ATOM 1539 CD1 ILE B 45 2.127 -2.708 4.475 1.00 0.00 C ATOM 0 H ILE B 45 -0.146 -6.049 4.568 1.00 0.00 H new ATOM 0 HA ILE B 45 0.207 -3.744 6.107 1.00 0.00 H new ATOM 0 HB ILE B 45 -0.782 -4.285 3.353 1.00 0.00 H new ATOM 0 HG12 ILE B 45 1.606 -4.625 3.687 1.00 0.00 H new ATOM 0 HG13 ILE B 45 1.317 -3.293 2.586 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.594 -1.822 2.833 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.895 -2.186 3.991 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -0.354 -1.509 4.568 1.00 0.00 H new ATOM 0 HD11 ILE B 45 3.155 -2.779 4.119 1.00 0.00 H new ATOM 0 HD12 ILE B 45 1.787 -1.675 4.398 1.00 0.00 H new ATOM 0 HD13 ILE B 45 2.080 -3.028 5.516 1.00 0.00 H new ATOM 1551 N ARG B 46 -2.977 -4.216 5.215 1.00 0.00 N ATOM 1552 CA ARG B 46 -4.347 -3.872 5.575 1.00 0.00 C ATOM 1553 C ARG B 46 -4.649 -4.213 7.034 1.00 0.00 C ATOM 1554 O ARG B 46 -5.165 -3.364 7.757 1.00 0.00 O ATOM 1555 CB ARG B 46 -5.345 -4.459 4.556 1.00 0.00 C ATOM 1556 CG ARG B 46 -5.468 -5.985 4.506 1.00 0.00 C ATOM 1557 CD ARG B 46 -6.249 -6.414 3.259 1.00 0.00 C ATOM 1558 NE ARG B 46 -6.870 -7.739 3.414 1.00 0.00 N ATOM 1559 CZ ARG B 46 -7.774 -8.266 2.583 1.00 0.00 C ATOM 1560 NH1 ARG B 46 -8.006 -7.712 1.395 1.00 0.00 N ATOM 1561 NH2 ARG B 46 -8.456 -9.350 2.937 1.00 0.00 N ATOM 0 H ARG B 46 -2.898 -4.815 4.393 1.00 0.00 H new ATOM 0 HA ARG B 46 -4.470 -2.791 5.515 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -6.331 -4.046 4.770 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -5.062 -4.109 3.563 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -4.476 -6.437 4.496 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -5.973 -6.346 5.402 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -7.022 -5.676 3.046 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -5.578 -6.429 2.400 1.00 0.00 H new ATOM 0 HE ARG B 46 -6.588 -8.299 4.219 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -7.492 -6.878 1.112 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -8.698 -8.122 0.768 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -8.290 -9.783 3.846 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -9.145 -9.749 2.300 1.00 0.00 H new ATOM 1575 N ASN B 47 -4.297 -5.413 7.490 1.00 0.00 N ATOM 1576 CA ASN B 47 -4.564 -5.832 8.858 1.00 0.00 C ATOM 1577 C ASN B 47 -3.824 -5.014 9.918 1.00 0.00 C ATOM 1578 O ASN B 47 -4.444 -4.584 10.895 1.00 0.00 O ATOM 1579 CB ASN B 47 -4.230 -7.316 9.029 1.00 0.00 C ATOM 1580 CG ASN B 47 -4.474 -7.698 10.476 1.00 0.00 C ATOM 1581 OD1 ASN B 47 -5.584 -7.537 10.979 1.00 0.00 O ATOM 1582 ND2 ASN B 47 -3.471 -8.201 11.166 1.00 0.00 N ATOM 0 H ASN B 47 -3.822 -6.116 6.924 1.00 0.00 H new ATOM 0 HA ASN B 47 -5.627 -5.656 9.021 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -4.848 -7.923 8.367 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -3.192 -7.505 8.757 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.606 -8.467 12.141 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.560 -8.324 10.725 1.00 0.00 H new ATOM 1589 N ALA B 48 -2.512 -4.834 9.754 1.00 0.00 N ATOM 1590 CA ALA B 48 -1.664 -4.092 10.681 1.00 0.00 C ATOM 1591 C ALA B 48 -1.979 -2.599 10.688 1.00 0.00 C ATOM 1592 O ALA B 48 -1.637 -1.921 11.656 1.00 0.00 O ATOM 1593 CB ALA B 48 -0.188 -4.290 10.296 1.00 0.00 C ATOM 0 H ALA B 48 -2.001 -5.209 8.955 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.859 -4.479 11.681 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.446 -3.736 10.988 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.062 -5.350 10.344 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -0.024 -3.925 9.282 1.00 0.00 H new ATOM 1599 N ALA B 49 -2.605 -2.073 9.632 1.00 0.00 N ATOM 1600 CA ALA B 49 -2.953 -0.667 9.547 1.00 0.00 C ATOM 1601 C ALA B 49 -4.314 -0.401 10.187 1.00 0.00 C ATOM 1602 O ALA B 49 -4.491 0.616 10.852 1.00 0.00 O ATOM 1603 CB ALA B 49 -2.956 -0.251 8.076 1.00 0.00 C ATOM 0 H ALA B 49 -2.882 -2.617 8.815 1.00 0.00 H new ATOM 0 HA ALA B 49 -2.217 -0.078 10.093 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -3.216 0.805 7.997 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -1.966 -0.414 7.650 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -3.688 -0.847 7.531 1.00 0.00 H new ATOM 1609 N LEU B 50 -5.293 -1.283 9.985 1.00 0.00 N ATOM 1610 CA LEU B 50 -6.630 -1.099 10.541 1.00 0.00 C ATOM 1611 C LEU B 50 -6.661 -1.222 12.057 1.00 0.00 C ATOM 1612 O LEU B 50 -7.286 -0.397 12.727 1.00 0.00 O ATOM 1613 CB LEU B 50 -7.591 -2.166 9.987 1.00 0.00 C ATOM 1614 CG LEU B 50 -7.915 -1.996 8.498 1.00 0.00 C ATOM 1615 CD1 LEU B 50 -8.454 -3.322 7.949 1.00 0.00 C ATOM 1616 CD2 LEU B 50 -8.915 -0.864 8.251 1.00 0.00 C ATOM 0 H LEU B 50 -5.182 -2.136 9.437 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.933 -0.092 10.255 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -7.153 -3.152 10.143 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -8.520 -2.136 10.557 1.00 0.00 H new ATOM 0 HG LEU B 50 -6.998 -1.723 7.976 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -8.687 -3.210 6.890 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -7.701 -4.100 8.074 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.357 -3.600 8.492 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -9.114 -0.781 7.183 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -9.845 -1.079 8.778 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -8.499 0.075 8.617 1.00 0.00 H new ATOM 1628 N ASN B 51 -6.049 -2.284 12.573 1.00 0.00 N ATOM 1629 CA ASN B 51 -6.018 -2.617 13.992 1.00 0.00 C ATOM 1630 C ASN B 51 -4.762 -2.144 14.668 1.00 0.00 C ATOM 1631 O ASN B 51 -4.889 -1.455 15.699 1.00 0.00 O ATOM 1632 CB ASN B 51 -6.124 -4.132 14.153 1.00 0.00 C ATOM 1633 CG ASN B 51 -7.349 -4.687 13.455 1.00 0.00 C ATOM 1634 OD1 ASN B 51 -8.460 -4.603 13.975 1.00 0.00 O ATOM 1635 ND2 ASN B 51 -7.182 -5.186 12.243 1.00 0.00 N ATOM 0 H ASN B 51 -5.545 -2.957 11.996 1.00 0.00 H new ATOM 0 HA ASN B 51 -6.860 -2.110 14.464 1.00 0.00 H new ATOM 0 HB2 ASN B 51 -5.229 -4.604 13.747 1.00 0.00 H new ATOM 0 HB3 ASN B 51 -6.164 -4.383 15.213 1.00 0.00 H new ATOM 0 HD21 ASN B 51 -7.988 -5.515 11.711 1.00 0.00 H new ATOM 0 HD22 ASN B 51 -6.247 -5.242 11.839 1.00 0.00 H new TER 1642 ASN B 51