USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 13 ASN : amide:sc= -0.0457 K(o=-0.09,f=1.5) USER MOD Set 1.2: B 19 THR OG1 : rot 180:sc= -0.0444 USER MOD Set 2.1: B 11 SER OG : rot -91:sc= 0.208 USER MOD Set 2.2: B 21 THR OG1 : rot 180:sc= 0.197 USER MOD Set 2.3: B 35 ASN : amide:sc= -0.0191 X(o=0.39,f=0.22) USER MOD Set 3.1: A 29 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.4!) USER MOD Set 3.2: B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 35 ASN : amide:sc= 0.116 K(o=0.24,f=-4.2!) USER MOD Set 4.2: B 1 MET N :NH3+ -148:sc= 0.122 (180deg=0) USER MOD Set 5.1: A 13 ASN : amide:sc= 0.39 K(o=0.37,f=1.4) USER MOD Set 5.2: A 19 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.476 (180deg=-0.498) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0316 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -0.018 (180deg=-0.23) USER MOD Single : A 43 HIS : no HD1:sc= -0.916 K(o=-0.92,f=-0.19) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -176:sc= -0.364 (180deg=-0.435) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.7!) USER MOD Single : B 29 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.6!) USER MOD Single : B 38 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.116) USER MOD Single : B 43 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.472 -2.109 -6.592 1.00 0.00 N ATOM 2 CA MET A 1 22.421 -1.297 -7.233 1.00 0.00 C ATOM 3 C MET A 1 23.044 -0.279 -8.177 1.00 0.00 C ATOM 4 O MET A 1 24.091 0.283 -7.864 1.00 0.00 O ATOM 5 CB MET A 1 21.570 -0.602 -6.167 1.00 0.00 C ATOM 6 CG MET A 1 20.403 0.170 -6.785 1.00 0.00 C ATOM 7 SD MET A 1 19.063 0.585 -5.633 1.00 0.00 S ATOM 8 CE MET A 1 20.027 1.155 -4.214 1.00 0.00 C ATOM 0 H1 MET A 1 23.281 -2.181 -5.572 1.00 0.00 H new ATOM 0 H2 MET A 1 23.479 -3.061 -7.011 1.00 0.00 H new ATOM 0 H3 MET A 1 24.398 -1.658 -6.740 1.00 0.00 H new ATOM 0 HA MET A 1 21.774 -1.951 -7.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.185 -1.345 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.195 0.082 -5.593 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.787 1.093 -7.220 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.989 -0.420 -7.603 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.356 1.566 -3.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.580 0.317 -3.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.727 1.926 -4.536 1.00 0.00 H new ATOM 20 N LEU A 2 22.405 -0.039 -9.327 1.00 0.00 N ATOM 21 CA LEU A 2 22.861 0.958 -10.283 1.00 0.00 C ATOM 22 C LEU A 2 21.902 2.145 -10.244 1.00 0.00 C ATOM 23 O LEU A 2 20.789 2.073 -10.766 1.00 0.00 O ATOM 24 CB LEU A 2 22.933 0.355 -11.692 1.00 0.00 C ATOM 25 CG LEU A 2 23.955 1.050 -12.604 1.00 0.00 C ATOM 26 CD1 LEU A 2 23.523 0.984 -14.058 1.00 0.00 C ATOM 27 CD2 LEU A 2 24.229 2.512 -12.286 1.00 0.00 C ATOM 0 H LEU A 2 21.560 -0.533 -9.615 1.00 0.00 H new ATOM 0 HA LEU A 2 23.863 1.295 -10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 2 23.187 -0.702 -11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 2 21.947 0.412 -12.154 1.00 0.00 H new ATOM 0 HG LEU A 2 24.874 0.494 -12.419 1.00 0.00 H new ATOM 0 HD11 LEU A 2 24.265 1.484 -14.681 1.00 0.00 H new ATOM 0 HD12 LEU A 2 23.435 -0.058 -14.364 1.00 0.00 H new ATOM 0 HD13 LEU A 2 22.559 1.479 -14.174 1.00 0.00 H new ATOM 0 HD21 LEU A 2 24.964 2.906 -12.988 1.00 0.00 H new ATOM 0 HD22 LEU A 2 23.304 3.082 -12.371 1.00 0.00 H new ATOM 0 HD23 LEU A 2 24.616 2.597 -11.271 1.00 0.00 H new ATOM 39 N ILE A 3 22.337 3.239 -9.622 1.00 0.00 N ATOM 40 CA ILE A 3 21.532 4.436 -9.486 1.00 0.00 C ATOM 41 C ILE A 3 21.749 5.336 -10.700 1.00 0.00 C ATOM 42 O ILE A 3 22.862 5.433 -11.215 1.00 0.00 O ATOM 43 CB ILE A 3 21.918 5.161 -8.189 1.00 0.00 C ATOM 44 CG1 ILE A 3 21.559 4.328 -6.949 1.00 0.00 C ATOM 45 CG2 ILE A 3 21.159 6.486 -8.086 1.00 0.00 C ATOM 46 CD1 ILE A 3 22.626 3.309 -6.567 1.00 0.00 C ATOM 0 H ILE A 3 23.262 3.313 -9.199 1.00 0.00 H new ATOM 0 HA ILE A 3 20.475 4.174 -9.437 1.00 0.00 H new ATOM 0 HB ILE A 3 22.995 5.324 -8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 3 21.392 4.999 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.620 3.806 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 3 21.438 6.994 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 3 21.411 7.117 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 3 20.086 6.292 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.304 2.758 -5.683 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.777 2.614 -7.393 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.562 3.825 -6.352 1.00 0.00 H new ATOM 58 N LEU A 4 20.681 5.996 -11.156 1.00 0.00 N ATOM 59 CA LEU A 4 20.728 6.962 -12.246 1.00 0.00 C ATOM 60 C LEU A 4 19.783 8.114 -11.911 1.00 0.00 C ATOM 61 O LEU A 4 18.921 7.977 -11.044 1.00 0.00 O ATOM 62 CB LEU A 4 20.300 6.297 -13.563 1.00 0.00 C ATOM 63 CG LEU A 4 21.265 5.208 -14.048 1.00 0.00 C ATOM 64 CD1 LEU A 4 20.664 4.488 -15.252 1.00 0.00 C ATOM 65 CD2 LEU A 4 22.597 5.796 -14.510 1.00 0.00 C ATOM 0 H LEU A 4 19.746 5.869 -10.769 1.00 0.00 H new ATOM 0 HA LEU A 4 21.745 7.336 -12.366 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.310 5.861 -13.434 1.00 0.00 H new ATOM 0 HB3 LEU A 4 20.213 7.062 -14.334 1.00 0.00 H new ATOM 0 HG LEU A 4 21.429 4.533 -13.208 1.00 0.00 H new ATOM 0 HD11 LEU A 4 21.352 3.715 -15.594 1.00 0.00 H new ATOM 0 HD12 LEU A 4 19.717 4.030 -14.967 1.00 0.00 H new ATOM 0 HD13 LEU A 4 20.493 5.204 -16.056 1.00 0.00 H new ATOM 0 HD21 LEU A 4 23.253 4.992 -14.846 1.00 0.00 H new ATOM 0 HD22 LEU A 4 22.423 6.490 -15.332 1.00 0.00 H new ATOM 0 HD23 LEU A 4 23.068 6.326 -13.682 1.00 0.00 H new ATOM 77 N THR A 5 19.942 9.250 -12.596 1.00 0.00 N ATOM 78 CA THR A 5 19.092 10.416 -12.382 1.00 0.00 C ATOM 79 C THR A 5 18.440 10.818 -13.701 1.00 0.00 C ATOM 80 O THR A 5 18.947 11.678 -14.420 1.00 0.00 O ATOM 81 CB THR A 5 19.899 11.563 -11.763 1.00 0.00 C ATOM 82 OG1 THR A 5 20.521 11.109 -10.582 1.00 0.00 O ATOM 83 CG2 THR A 5 19.005 12.746 -11.405 1.00 0.00 C ATOM 0 H THR A 5 20.659 9.383 -13.309 1.00 0.00 H new ATOM 0 HA THR A 5 18.300 10.169 -11.676 1.00 0.00 H new ATOM 0 HB THR A 5 20.636 11.887 -12.497 1.00 0.00 H new ATOM 0 HG1 THR A 5 21.040 11.839 -10.184 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.610 13.541 -10.969 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.514 13.116 -12.305 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.251 12.427 -10.685 1.00 0.00 H new ATOM 91 N ARG A 6 17.306 10.188 -14.016 1.00 0.00 N ATOM 92 CA ARG A 6 16.569 10.452 -15.245 1.00 0.00 C ATOM 93 C ARG A 6 15.722 11.708 -15.085 1.00 0.00 C ATOM 94 O ARG A 6 15.647 12.278 -13.998 1.00 0.00 O ATOM 95 CB ARG A 6 15.668 9.252 -15.561 1.00 0.00 C ATOM 96 CG ARG A 6 16.468 8.017 -15.986 1.00 0.00 C ATOM 97 CD ARG A 6 16.586 7.906 -17.510 1.00 0.00 C ATOM 98 NE ARG A 6 17.400 8.973 -18.099 1.00 0.00 N ATOM 99 CZ ARG A 6 17.786 9.003 -19.377 1.00 0.00 C ATOM 100 NH1 ARG A 6 17.448 8.025 -20.215 1.00 0.00 N ATOM 101 NH2 ARG A 6 18.519 10.018 -19.827 1.00 0.00 N ATOM 0 H ARG A 6 16.875 9.480 -13.422 1.00 0.00 H new ATOM 0 HA ARG A 6 17.272 10.605 -16.064 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.070 9.009 -14.683 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.973 9.522 -16.356 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.465 8.062 -15.548 1.00 0.00 H new ATOM 0 HG3 ARG A 6 15.987 7.121 -15.593 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.022 6.940 -17.766 1.00 0.00 H new ATOM 0 HD3 ARG A 6 15.589 7.932 -17.949 1.00 0.00 H new ATOM 0 HE ARG A 6 17.690 9.742 -17.494 1.00 0.00 H new ATOM 0 HH11 ARG A 6 16.887 7.240 -19.883 1.00 0.00 H new ATOM 0 HH12 ARG A 6 17.750 8.061 -21.189 1.00 0.00 H new ATOM 0 HH21 ARG A 6 18.786 10.773 -19.196 1.00 0.00 H new ATOM 0 HH22 ARG A 6 18.814 10.041 -20.803 1.00 0.00 H new ATOM 115 N LYS A 7 15.082 12.136 -16.175 1.00 0.00 N ATOM 116 CA LYS A 7 14.164 13.262 -16.172 1.00 0.00 C ATOM 117 C LYS A 7 12.801 12.789 -16.660 1.00 0.00 C ATOM 118 O LYS A 7 12.701 11.732 -17.281 1.00 0.00 O ATOM 119 CB LYS A 7 14.715 14.391 -17.051 1.00 0.00 C ATOM 120 CG LYS A 7 16.169 14.716 -16.693 1.00 0.00 C ATOM 121 CD LYS A 7 16.625 15.995 -17.396 1.00 0.00 C ATOM 122 CE LYS A 7 18.131 16.178 -17.208 1.00 0.00 C ATOM 123 NZ LYS A 7 18.616 17.387 -17.900 1.00 0.00 N ATOM 0 H LYS A 7 15.192 11.702 -17.091 1.00 0.00 H new ATOM 0 HA LYS A 7 14.055 13.656 -15.162 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.652 14.102 -18.100 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.100 15.283 -16.929 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.265 14.834 -15.614 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.814 13.886 -16.982 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.385 15.943 -18.458 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.091 16.854 -16.990 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.361 16.248 -16.145 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.656 15.303 -17.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.641 17.483 -17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.418 17.308 -18.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.132 18.224 -17.517 1.00 0.00 H new ATOM 137 N VAL A 8 11.749 13.561 -16.387 1.00 0.00 N ATOM 138 CA VAL A 8 10.398 13.194 -16.792 1.00 0.00 C ATOM 139 C VAL A 8 10.344 12.969 -18.301 1.00 0.00 C ATOM 140 O VAL A 8 10.740 13.834 -19.081 1.00 0.00 O ATOM 141 CB VAL A 8 9.423 14.294 -16.368 1.00 0.00 C ATOM 142 CG1 VAL A 8 8.026 14.011 -16.919 1.00 0.00 C ATOM 143 CG2 VAL A 8 9.363 14.366 -14.840 1.00 0.00 C ATOM 0 H VAL A 8 11.810 14.447 -15.885 1.00 0.00 H new ATOM 0 HA VAL A 8 10.111 12.264 -16.302 1.00 0.00 H new ATOM 0 HB VAL A 8 9.774 15.245 -16.768 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.345 14.803 -16.608 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.065 13.973 -18.008 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.670 13.055 -16.535 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.668 15.150 -14.540 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.024 13.409 -14.444 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.355 14.590 -14.447 1.00 0.00 H new ATOM 153 N GLY A 9 9.848 11.797 -18.703 1.00 0.00 N ATOM 154 CA GLY A 9 9.692 11.421 -20.100 1.00 0.00 C ATOM 155 C GLY A 9 10.843 10.552 -20.602 1.00 0.00 C ATOM 156 O GLY A 9 10.765 10.016 -21.707 1.00 0.00 O ATOM 0 H GLY A 9 9.540 11.074 -18.052 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.753 10.883 -20.226 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.627 12.322 -20.711 1.00 0.00 H new ATOM 160 N GLU A 10 11.908 10.404 -19.809 1.00 0.00 N ATOM 161 CA GLU A 10 13.037 9.557 -20.175 1.00 0.00 C ATOM 162 C GLU A 10 12.812 8.131 -19.669 1.00 0.00 C ATOM 163 O GLU A 10 11.854 7.868 -18.942 1.00 0.00 O ATOM 164 CB GLU A 10 14.332 10.131 -19.598 1.00 0.00 C ATOM 165 CG GLU A 10 14.569 11.563 -20.088 1.00 0.00 C ATOM 166 CD GLU A 10 15.949 12.074 -19.677 1.00 0.00 C ATOM 167 OE1 GLU A 10 16.397 11.711 -18.567 1.00 0.00 O ATOM 168 OE2 GLU A 10 16.545 12.825 -20.481 1.00 0.00 O ATOM 0 H GLU A 10 12.008 10.865 -18.905 1.00 0.00 H new ATOM 0 HA GLU A 10 13.122 9.530 -21.261 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.285 10.119 -18.509 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.173 9.501 -19.887 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.475 11.597 -21.173 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.800 12.220 -19.681 1.00 0.00 H new ATOM 175 N SER A 11 13.695 7.203 -20.051 1.00 0.00 N ATOM 176 CA SER A 11 13.560 5.806 -19.659 1.00 0.00 C ATOM 177 C SER A 11 14.900 5.114 -19.446 1.00 0.00 C ATOM 178 O SER A 11 15.968 5.690 -19.653 1.00 0.00 O ATOM 179 CB SER A 11 12.762 5.047 -20.721 1.00 0.00 C ATOM 180 OG SER A 11 13.406 5.132 -21.975 1.00 0.00 O ATOM 0 H SER A 11 14.510 7.399 -20.632 1.00 0.00 H new ATOM 0 HA SER A 11 13.036 5.796 -18.703 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.658 4.002 -20.429 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.756 5.460 -20.793 1.00 0.00 H new ATOM 0 HG SER A 11 12.885 4.641 -22.644 1.00 0.00 H new ATOM 186 N ILE A 12 14.803 3.854 -19.025 1.00 0.00 N ATOM 187 CA ILE A 12 15.895 2.948 -18.726 1.00 0.00 C ATOM 188 C ILE A 12 15.551 1.589 -19.338 1.00 0.00 C ATOM 189 O ILE A 12 14.393 1.336 -19.666 1.00 0.00 O ATOM 190 CB ILE A 12 16.022 2.844 -17.198 1.00 0.00 C ATOM 191 CG1 ILE A 12 16.443 4.169 -16.549 1.00 0.00 C ATOM 192 CG2 ILE A 12 16.998 1.743 -16.786 1.00 0.00 C ATOM 193 CD1 ILE A 12 17.818 4.645 -17.020 1.00 0.00 C ATOM 0 H ILE A 12 13.894 3.416 -18.876 1.00 0.00 H new ATOM 0 HA ILE A 12 16.842 3.298 -19.136 1.00 0.00 H new ATOM 0 HB ILE A 12 15.025 2.591 -16.836 1.00 0.00 H new ATOM 0 HG12 ILE A 12 15.700 4.933 -16.778 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.455 4.051 -15.466 1.00 0.00 H new ATOM 0 HG21 ILE A 12 17.061 1.701 -15.699 1.00 0.00 H new ATOM 0 HG22 ILE A 12 16.647 0.784 -17.167 1.00 0.00 H new ATOM 0 HG23 ILE A 12 17.984 1.958 -17.198 1.00 0.00 H new ATOM 0 HD11 ILE A 12 18.065 5.586 -16.529 1.00 0.00 H new ATOM 0 HD12 ILE A 12 18.569 3.896 -16.767 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.802 4.792 -18.100 1.00 0.00 H new ATOM 205 N ASN A 13 16.544 0.712 -19.494 1.00 0.00 N ATOM 206 CA ASN A 13 16.331 -0.634 -20.000 1.00 0.00 C ATOM 207 C ASN A 13 17.066 -1.645 -19.127 1.00 0.00 C ATOM 208 O ASN A 13 18.083 -1.322 -18.516 1.00 0.00 O ATOM 209 CB ASN A 13 16.823 -0.721 -21.445 1.00 0.00 C ATOM 210 CG ASN A 13 15.926 0.066 -22.386 1.00 0.00 C ATOM 211 OD1 ASN A 13 16.311 1.110 -22.905 1.00 0.00 O ATOM 212 ND2 ASN A 13 14.716 -0.440 -22.606 1.00 0.00 N ATOM 0 H ASN A 13 17.517 0.921 -19.271 1.00 0.00 H new ATOM 0 HA ASN A 13 15.266 -0.865 -19.973 1.00 0.00 H new ATOM 0 HB2 ASN A 13 17.842 -0.339 -21.507 1.00 0.00 H new ATOM 0 HB3 ASN A 13 16.854 -1.765 -21.758 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.067 0.043 -23.227 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.437 -1.311 -22.154 1.00 0.00 H new ATOM 219 N ILE A 14 16.540 -2.871 -19.078 1.00 0.00 N ATOM 220 CA ILE A 14 17.140 -3.959 -18.316 1.00 0.00 C ATOM 221 C ILE A 14 16.998 -5.262 -19.101 1.00 0.00 C ATOM 222 O ILE A 14 15.992 -5.476 -19.774 1.00 0.00 O ATOM 223 CB ILE A 14 16.458 -4.096 -16.943 1.00 0.00 C ATOM 224 CG1 ILE A 14 16.448 -2.757 -16.190 1.00 0.00 C ATOM 225 CG2 ILE A 14 17.190 -5.157 -16.112 1.00 0.00 C ATOM 226 CD1 ILE A 14 15.638 -2.843 -14.895 1.00 0.00 C ATOM 0 H ILE A 14 15.685 -3.134 -19.568 1.00 0.00 H new ATOM 0 HA ILE A 14 18.196 -3.741 -18.155 1.00 0.00 H new ATOM 0 HB ILE A 14 15.423 -4.400 -17.101 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.472 -2.461 -15.960 1.00 0.00 H new ATOM 0 HG13 ILE A 14 16.028 -1.982 -16.831 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.707 -5.254 -15.140 1.00 0.00 H new ATOM 0 HG22 ILE A 14 17.155 -6.114 -16.632 1.00 0.00 H new ATOM 0 HG23 ILE A 14 18.229 -4.857 -15.973 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.654 -1.877 -14.391 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.608 -3.114 -15.127 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.074 -3.600 -14.243 1.00 0.00 H new ATOM 238 N GLY A 15 18.009 -6.132 -19.016 1.00 0.00 N ATOM 239 CA GLY A 15 17.972 -7.460 -19.616 1.00 0.00 C ATOM 240 C GLY A 15 17.744 -7.454 -21.129 1.00 0.00 C ATOM 241 O GLY A 15 17.503 -8.512 -21.704 1.00 0.00 O ATOM 0 H GLY A 15 18.880 -5.929 -18.525 1.00 0.00 H new ATOM 0 HA2 GLY A 15 18.911 -7.970 -19.403 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.180 -8.040 -19.142 1.00 0.00 H new ATOM 245 N ASP A 16 17.818 -6.282 -21.769 1.00 0.00 N ATOM 246 CA ASP A 16 17.585 -6.097 -23.200 1.00 0.00 C ATOM 247 C ASP A 16 16.156 -6.459 -23.632 1.00 0.00 C ATOM 248 O ASP A 16 15.860 -6.475 -24.825 1.00 0.00 O ATOM 249 CB ASP A 16 18.655 -6.852 -23.997 1.00 0.00 C ATOM 250 CG ASP A 16 18.645 -6.471 -25.476 1.00 0.00 C ATOM 251 OD1 ASP A 16 18.713 -5.254 -25.760 1.00 0.00 O ATOM 252 OD2 ASP A 16 18.571 -7.398 -26.311 1.00 0.00 O ATOM 0 H ASP A 16 18.049 -5.412 -21.289 1.00 0.00 H new ATOM 0 HA ASP A 16 17.676 -5.034 -23.421 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.637 -6.640 -23.575 1.00 0.00 H new ATOM 0 HB3 ASP A 16 18.490 -7.925 -23.898 1.00 0.00 H new ATOM 257 N ASP A 17 15.260 -6.752 -22.681 1.00 0.00 N ATOM 258 CA ASP A 17 13.867 -7.082 -22.973 1.00 0.00 C ATOM 259 C ASP A 17 12.899 -6.296 -22.087 1.00 0.00 C ATOM 260 O ASP A 17 11.687 -6.484 -22.190 1.00 0.00 O ATOM 261 CB ASP A 17 13.618 -8.580 -22.782 1.00 0.00 C ATOM 262 CG ASP A 17 14.467 -9.440 -23.715 1.00 0.00 C ATOM 263 OD1 ASP A 17 14.287 -9.305 -24.947 1.00 0.00 O ATOM 264 OD2 ASP A 17 15.290 -10.226 -23.196 1.00 0.00 O ATOM 0 H ASP A 17 15.485 -6.766 -21.686 1.00 0.00 H new ATOM 0 HA ASP A 17 13.685 -6.807 -24.012 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.832 -8.851 -21.748 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.563 -8.794 -22.956 1.00 0.00 H new ATOM 269 N ILE A 18 13.416 -5.421 -21.219 1.00 0.00 N ATOM 270 CA ILE A 18 12.594 -4.672 -20.280 1.00 0.00 C ATOM 271 C ILE A 18 12.869 -3.179 -20.433 1.00 0.00 C ATOM 272 O ILE A 18 13.974 -2.781 -20.805 1.00 0.00 O ATOM 273 CB ILE A 18 12.890 -5.157 -18.851 1.00 0.00 C ATOM 274 CG1 ILE A 18 12.676 -6.676 -18.749 1.00 0.00 C ATOM 275 CG2 ILE A 18 12.004 -4.426 -17.836 1.00 0.00 C ATOM 276 CD1 ILE A 18 13.126 -7.228 -17.397 1.00 0.00 C ATOM 0 H ILE A 18 14.413 -5.217 -21.152 1.00 0.00 H new ATOM 0 HA ILE A 18 11.537 -4.839 -20.487 1.00 0.00 H new ATOM 0 HB ILE A 18 13.932 -4.933 -18.621 1.00 0.00 H new ATOM 0 HG12 ILE A 18 11.621 -6.904 -18.901 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.228 -7.174 -19.546 1.00 0.00 H new ATOM 0 HG21 ILE A 18 12.230 -4.784 -16.832 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.196 -3.354 -17.891 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.955 -4.619 -18.063 1.00 0.00 H new ATOM 0 HD11 ILE A 18 12.957 -8.304 -17.369 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.187 -7.024 -17.256 1.00 0.00 H new ATOM 0 HD13 ILE A 18 12.555 -6.750 -16.601 1.00 0.00 H new ATOM 288 N THR A 19 11.859 -2.353 -20.145 1.00 0.00 N ATOM 289 CA THR A 19 11.974 -0.904 -20.202 1.00 0.00 C ATOM 290 C THR A 19 11.269 -0.296 -18.998 1.00 0.00 C ATOM 291 O THR A 19 10.179 -0.729 -18.635 1.00 0.00 O ATOM 292 CB THR A 19 11.340 -0.384 -21.495 1.00 0.00 C ATOM 293 OG1 THR A 19 11.875 -1.062 -22.610 1.00 0.00 O ATOM 294 CG2 THR A 19 11.594 1.113 -21.664 1.00 0.00 C ATOM 0 H THR A 19 10.934 -2.680 -19.864 1.00 0.00 H new ATOM 0 HA THR A 19 13.027 -0.621 -20.186 1.00 0.00 H new ATOM 0 HB THR A 19 10.267 -0.562 -21.432 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.460 -0.721 -23.430 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.134 1.458 -22.590 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.162 1.653 -20.821 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.668 1.298 -21.702 1.00 0.00 H new ATOM 302 N ILE A 20 11.895 0.709 -18.384 1.00 0.00 N ATOM 303 CA ILE A 20 11.339 1.421 -17.241 1.00 0.00 C ATOM 304 C ILE A 20 11.254 2.897 -17.614 1.00 0.00 C ATOM 305 O ILE A 20 12.217 3.437 -18.152 1.00 0.00 O ATOM 306 CB ILE A 20 12.230 1.229 -16.004 1.00 0.00 C ATOM 307 CG1 ILE A 20 12.744 -0.210 -15.835 1.00 0.00 C ATOM 308 CG2 ILE A 20 11.467 1.674 -14.756 1.00 0.00 C ATOM 309 CD1 ILE A 20 11.634 -1.232 -15.591 1.00 0.00 C ATOM 0 H ILE A 20 12.811 1.052 -18.672 1.00 0.00 H new ATOM 0 HA ILE A 20 10.350 1.034 -16.996 1.00 0.00 H new ATOM 0 HB ILE A 20 13.116 1.848 -16.148 1.00 0.00 H new ATOM 0 HG12 ILE A 20 13.299 -0.496 -16.728 1.00 0.00 H new ATOM 0 HG13 ILE A 20 13.445 -0.241 -15.001 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.097 1.539 -13.877 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.197 2.726 -14.850 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.562 1.075 -14.650 1.00 0.00 H new ATOM 0 HD11 ILE A 20 12.071 -2.225 -15.481 1.00 0.00 H new ATOM 0 HD12 ILE A 20 11.093 -0.971 -14.681 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.945 -1.230 -16.436 1.00 0.00 H new ATOM 321 N THR A 21 10.127 3.562 -17.342 1.00 0.00 N ATOM 322 CA THR A 21 9.938 4.938 -17.792 1.00 0.00 C ATOM 323 C THR A 21 9.348 5.810 -16.689 1.00 0.00 C ATOM 324 O THR A 21 8.413 5.397 -16.005 1.00 0.00 O ATOM 325 CB THR A 21 9.018 4.948 -19.018 1.00 0.00 C ATOM 326 OG1 THR A 21 9.501 4.051 -19.994 1.00 0.00 O ATOM 327 CG2 THR A 21 8.950 6.337 -19.650 1.00 0.00 C ATOM 0 H THR A 21 9.343 3.173 -16.819 1.00 0.00 H new ATOM 0 HA THR A 21 10.912 5.351 -18.055 1.00 0.00 H new ATOM 0 HB THR A 21 8.025 4.653 -18.680 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.906 4.063 -20.773 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.290 6.310 -20.517 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.564 7.050 -18.921 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.948 6.643 -19.963 1.00 0.00 H new ATOM 335 N ILE A 22 9.895 7.017 -16.520 1.00 0.00 N ATOM 336 CA ILE A 22 9.386 7.996 -15.573 1.00 0.00 C ATOM 337 C ILE A 22 8.353 8.859 -16.296 1.00 0.00 C ATOM 338 O ILE A 22 8.700 9.770 -17.046 1.00 0.00 O ATOM 339 CB ILE A 22 10.542 8.804 -14.962 1.00 0.00 C ATOM 340 CG1 ILE A 22 10.038 10.042 -14.209 1.00 0.00 C ATOM 341 CG2 ILE A 22 11.564 9.247 -16.009 1.00 0.00 C ATOM 342 CD1 ILE A 22 9.116 9.655 -13.057 1.00 0.00 C ATOM 0 H ILE A 22 10.709 7.338 -17.043 1.00 0.00 H new ATOM 0 HA ILE A 22 8.892 7.512 -14.730 1.00 0.00 H new ATOM 0 HB ILE A 22 11.030 8.127 -14.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.887 10.606 -13.824 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.506 10.698 -14.898 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.359 9.814 -15.524 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.989 8.370 -16.497 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.074 9.874 -16.754 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.777 10.555 -12.544 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.254 9.113 -13.447 1.00 0.00 H new ATOM 0 HD13 ILE A 22 9.657 9.020 -12.355 1.00 0.00 H new ATOM 354 N LEU A 23 7.071 8.567 -16.068 1.00 0.00 N ATOM 355 CA LEU A 23 5.985 9.231 -16.771 1.00 0.00 C ATOM 356 C LEU A 23 5.800 10.651 -16.242 1.00 0.00 C ATOM 357 O LEU A 23 5.312 11.521 -16.962 1.00 0.00 O ATOM 358 CB LEU A 23 4.691 8.430 -16.602 1.00 0.00 C ATOM 359 CG LEU A 23 4.903 6.918 -16.747 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.549 6.225 -16.690 1.00 0.00 C ATOM 361 CD2 LEU A 23 5.575 6.545 -18.066 1.00 0.00 C ATOM 0 H LEU A 23 6.763 7.867 -15.393 1.00 0.00 H new ATOM 0 HA LEU A 23 6.232 9.287 -17.831 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.265 8.640 -15.621 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.964 8.763 -17.343 1.00 0.00 H new ATOM 0 HG LEU A 23 5.556 6.600 -15.934 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.687 5.149 -16.792 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.070 6.441 -15.735 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.920 6.589 -17.502 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.701 5.464 -18.117 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.954 6.877 -18.898 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.551 7.027 -18.126 1.00 0.00 H new ATOM 373 N GLY A 24 6.190 10.882 -14.985 1.00 0.00 N ATOM 374 CA GLY A 24 6.196 12.216 -14.406 1.00 0.00 C ATOM 375 C GLY A 24 6.141 12.180 -12.885 1.00 0.00 C ATOM 376 O GLY A 24 5.866 11.142 -12.285 1.00 0.00 O ATOM 0 H GLY A 24 6.507 10.151 -14.349 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.095 12.745 -14.723 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.344 12.780 -14.786 1.00 0.00 H new ATOM 380 N VAL A 25 6.404 13.330 -12.259 1.00 0.00 N ATOM 381 CA VAL A 25 6.349 13.454 -10.810 1.00 0.00 C ATOM 382 C VAL A 25 4.902 13.620 -10.353 1.00 0.00 C ATOM 383 O VAL A 25 4.024 13.952 -11.148 1.00 0.00 O ATOM 384 CB VAL A 25 7.200 14.639 -10.343 1.00 0.00 C ATOM 385 CG1 VAL A 25 8.664 14.406 -10.713 1.00 0.00 C ATOM 386 CG2 VAL A 25 6.731 15.956 -10.965 1.00 0.00 C ATOM 0 H VAL A 25 6.658 14.191 -12.742 1.00 0.00 H new ATOM 0 HA VAL A 25 6.753 12.545 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 25 7.091 14.713 -9.261 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.263 15.253 -10.378 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.021 13.496 -10.231 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.754 14.303 -11.794 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.360 16.771 -10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.802 15.891 -12.051 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.696 16.145 -10.680 1.00 0.00 H new ATOM 396 N SER A 26 4.662 13.385 -9.061 1.00 0.00 N ATOM 397 CA SER A 26 3.343 13.469 -8.451 1.00 0.00 C ATOM 398 C SER A 26 3.482 13.903 -6.991 1.00 0.00 C ATOM 399 O SER A 26 2.779 13.398 -6.117 1.00 0.00 O ATOM 400 CB SER A 26 2.643 12.111 -8.558 1.00 0.00 C ATOM 401 OG SER A 26 2.461 11.747 -9.910 1.00 0.00 O ATOM 0 H SER A 26 5.396 13.127 -8.401 1.00 0.00 H new ATOM 0 HA SER A 26 2.738 14.210 -8.973 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.235 11.351 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.677 12.154 -8.055 1.00 0.00 H new ATOM 0 HG SER A 26 2.014 10.876 -9.957 1.00 0.00 H new ATOM 407 N GLY A 27 4.394 14.843 -6.729 1.00 0.00 N ATOM 408 CA GLY A 27 4.670 15.326 -5.384 1.00 0.00 C ATOM 409 C GLY A 27 5.543 14.319 -4.649 1.00 0.00 C ATOM 410 O GLY A 27 6.614 13.962 -5.135 1.00 0.00 O ATOM 0 H GLY A 27 4.961 15.289 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.172 16.293 -5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.736 15.477 -4.842 1.00 0.00 H new ATOM 414 N GLN A 28 5.091 13.859 -3.480 1.00 0.00 N ATOM 415 CA GLN A 28 5.790 12.808 -2.759 1.00 0.00 C ATOM 416 C GLN A 28 5.669 11.483 -3.518 1.00 0.00 C ATOM 417 O GLN A 28 6.384 10.523 -3.222 1.00 0.00 O ATOM 418 CB GLN A 28 5.220 12.702 -1.346 1.00 0.00 C ATOM 419 CG GLN A 28 6.034 11.707 -0.520 1.00 0.00 C ATOM 420 CD GLN A 28 5.863 11.976 0.966 1.00 0.00 C ATOM 421 OE1 GLN A 28 5.205 11.221 1.678 1.00 0.00 O ATOM 422 NE2 GLN A 28 6.460 13.065 1.441 1.00 0.00 N ATOM 0 H GLN A 28 4.247 14.200 -3.019 1.00 0.00 H new ATOM 0 HA GLN A 28 6.851 13.048 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.234 13.681 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.179 12.383 -1.389 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.716 10.690 -0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.088 11.780 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.997 13.666 0.816 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.381 13.300 2.430 1.00 0.00 H new ATOM 431 N GLN A 29 4.762 11.429 -4.502 1.00 0.00 N ATOM 432 CA GLN A 29 4.588 10.258 -5.342 1.00 0.00 C ATOM 433 C GLN A 29 5.295 10.484 -6.678 1.00 0.00 C ATOM 434 O GLN A 29 5.664 11.611 -7.006 1.00 0.00 O ATOM 435 CB GLN A 29 3.100 9.953 -5.543 1.00 0.00 C ATOM 436 CG GLN A 29 2.307 10.057 -4.239 1.00 0.00 C ATOM 437 CD GLN A 29 0.868 9.616 -4.439 1.00 0.00 C ATOM 438 OE1 GLN A 29 0.362 8.768 -3.711 1.00 0.00 O ATOM 439 NE2 GLN A 29 0.189 10.184 -5.427 1.00 0.00 N ATOM 0 H GLN A 29 4.134 12.199 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 29 5.034 9.392 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.685 10.646 -6.275 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.989 8.950 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.777 9.440 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.329 11.085 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.637 10.886 -6.016 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.781 9.918 -5.598 1.00 0.00 H new ATOM 448 N VAL A 30 5.484 9.415 -7.455 1.00 0.00 N ATOM 449 CA VAL A 30 6.163 9.473 -8.742 1.00 0.00 C ATOM 450 C VAL A 30 5.554 8.438 -9.682 1.00 0.00 C ATOM 451 O VAL A 30 5.666 7.239 -9.435 1.00 0.00 O ATOM 452 CB VAL A 30 7.661 9.188 -8.563 1.00 0.00 C ATOM 453 CG1 VAL A 30 8.359 9.329 -9.912 1.00 0.00 C ATOM 454 CG2 VAL A 30 8.324 10.158 -7.586 1.00 0.00 C ATOM 0 H VAL A 30 5.166 8.479 -7.202 1.00 0.00 H new ATOM 0 HA VAL A 30 6.042 10.470 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 30 7.754 8.178 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.424 9.128 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.932 8.618 -10.619 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.221 10.342 -10.289 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.383 9.915 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.217 11.178 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.846 10.075 -6.610 1.00 0.00 H new ATOM 464 N ARG A 31 4.909 8.884 -10.763 1.00 0.00 N ATOM 465 CA ARG A 31 4.307 7.962 -11.713 1.00 0.00 C ATOM 466 C ARG A 31 5.372 7.360 -12.624 1.00 0.00 C ATOM 467 O ARG A 31 5.837 8.006 -13.563 1.00 0.00 O ATOM 468 CB ARG A 31 3.204 8.661 -12.506 1.00 0.00 C ATOM 469 CG ARG A 31 2.283 7.612 -13.126 1.00 0.00 C ATOM 470 CD ARG A 31 1.095 8.275 -13.824 1.00 0.00 C ATOM 471 NE ARG A 31 0.269 9.018 -12.862 1.00 0.00 N ATOM 472 CZ ARG A 31 -1.058 9.170 -12.936 1.00 0.00 C ATOM 473 NH1 ARG A 31 -1.756 8.665 -13.949 1.00 0.00 N ATOM 474 NH2 ARG A 31 -1.699 9.842 -11.982 1.00 0.00 N ATOM 0 H ARG A 31 4.794 9.870 -10.996 1.00 0.00 H new ATOM 0 HA ARG A 31 3.846 7.139 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.634 9.321 -11.853 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.641 9.284 -13.286 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.841 7.010 -13.843 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.923 6.934 -12.352 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.455 8.952 -14.599 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.489 7.516 -14.319 1.00 0.00 H new ATOM 0 HE ARG A 31 0.747 9.454 -12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.280 8.150 -14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.767 8.793 -13.985 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.178 10.238 -11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.711 9.961 -12.034 1.00 0.00 H new ATOM 488 N ILE A 32 5.749 6.113 -12.332 1.00 0.00 N ATOM 489 CA ILE A 32 6.705 5.340 -13.117 1.00 0.00 C ATOM 490 C ILE A 32 5.967 4.165 -13.760 1.00 0.00 C ATOM 491 O ILE A 32 4.860 3.822 -13.348 1.00 0.00 O ATOM 492 CB ILE A 32 7.855 4.875 -12.202 1.00 0.00 C ATOM 493 CG1 ILE A 32 8.510 6.108 -11.568 1.00 0.00 C ATOM 494 CG2 ILE A 32 8.908 4.062 -12.964 1.00 0.00 C ATOM 495 CD1 ILE A 32 9.678 5.762 -10.644 1.00 0.00 C ATOM 0 H ILE A 32 5.388 5.604 -11.525 1.00 0.00 H new ATOM 0 HA ILE A 32 7.143 5.944 -13.912 1.00 0.00 H new ATOM 0 HB ILE A 32 7.438 4.223 -11.435 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.864 6.770 -12.358 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.759 6.660 -11.003 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.698 3.756 -12.278 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.441 3.177 -13.397 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.334 4.673 -13.759 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.097 6.678 -10.228 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.324 5.124 -9.834 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.447 5.236 -11.210 1.00 0.00 H new ATOM 507 N GLY A 33 6.571 3.540 -14.772 1.00 0.00 N ATOM 508 CA GLY A 33 6.013 2.353 -15.395 1.00 0.00 C ATOM 509 C GLY A 33 7.102 1.323 -15.665 1.00 0.00 C ATOM 510 O GLY A 33 8.280 1.664 -15.768 1.00 0.00 O ATOM 0 H GLY A 33 7.456 3.846 -15.177 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.250 1.921 -14.747 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.522 2.624 -16.330 1.00 0.00 H new ATOM 514 N ILE A 34 6.690 0.058 -15.781 1.00 0.00 N ATOM 515 CA ILE A 34 7.576 -1.066 -16.034 1.00 0.00 C ATOM 516 C ILE A 34 7.015 -1.830 -17.228 1.00 0.00 C ATOM 517 O ILE A 34 5.822 -2.124 -17.263 1.00 0.00 O ATOM 518 CB ILE A 34 7.646 -1.975 -14.797 1.00 0.00 C ATOM 519 CG1 ILE A 34 8.253 -1.270 -13.575 1.00 0.00 C ATOM 520 CG2 ILE A 34 8.508 -3.199 -15.119 1.00 0.00 C ATOM 521 CD1 ILE A 34 7.199 -0.536 -12.743 1.00 0.00 C ATOM 0 H ILE A 34 5.710 -0.212 -15.699 1.00 0.00 H new ATOM 0 HA ILE A 34 8.587 -0.719 -16.247 1.00 0.00 H new ATOM 0 HB ILE A 34 6.622 -2.257 -14.551 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.759 -2.005 -12.949 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.010 -0.559 -13.907 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.561 -3.847 -14.244 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.065 -3.747 -15.951 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.512 -2.875 -15.392 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.679 -0.054 -11.891 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.710 0.219 -13.359 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.456 -1.249 -12.386 1.00 0.00 H new ATOM 533 N ASN A 35 7.858 -2.157 -18.209 1.00 0.00 N ATOM 534 CA ASN A 35 7.411 -2.830 -19.416 1.00 0.00 C ATOM 535 C ASN A 35 8.292 -4.031 -19.732 1.00 0.00 C ATOM 536 O ASN A 35 9.465 -3.886 -20.066 1.00 0.00 O ATOM 537 CB ASN A 35 7.386 -1.830 -20.569 1.00 0.00 C ATOM 538 CG ASN A 35 6.755 -2.437 -21.813 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.535 -2.490 -21.929 1.00 0.00 O ATOM 540 ND2 ASN A 35 7.579 -2.898 -22.751 1.00 0.00 N ATOM 0 H ASN A 35 8.859 -1.962 -18.184 1.00 0.00 H new ATOM 0 HA ASN A 35 6.402 -3.212 -19.263 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.828 -0.942 -20.271 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.402 -1.506 -20.795 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.201 -3.313 -23.603 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.588 -2.836 -22.618 1.00 0.00 H new ATOM 547 N ALA A 36 7.697 -5.217 -19.618 1.00 0.00 N ATOM 548 CA ALA A 36 8.330 -6.502 -19.870 1.00 0.00 C ATOM 549 C ALA A 36 7.293 -7.427 -20.511 1.00 0.00 C ATOM 550 O ALA A 36 6.094 -7.172 -20.395 1.00 0.00 O ATOM 551 CB ALA A 36 8.805 -7.065 -18.531 1.00 0.00 C ATOM 0 H ALA A 36 6.721 -5.308 -19.336 1.00 0.00 H new ATOM 0 HA ALA A 36 9.184 -6.407 -20.541 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.285 -8.031 -18.692 1.00 0.00 H new ATOM 0 HB2 ALA A 36 9.519 -6.376 -18.079 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.951 -7.190 -17.865 1.00 0.00 H new ATOM 557 N PRO A 37 7.722 -8.501 -21.186 1.00 0.00 N ATOM 558 CA PRO A 37 6.808 -9.469 -21.765 1.00 0.00 C ATOM 559 C PRO A 37 6.155 -10.291 -20.656 1.00 0.00 C ATOM 560 O PRO A 37 6.637 -10.311 -19.525 1.00 0.00 O ATOM 561 CB PRO A 37 7.678 -10.338 -22.671 1.00 0.00 C ATOM 562 CG PRO A 37 9.045 -10.287 -21.992 1.00 0.00 C ATOM 563 CD PRO A 37 9.102 -8.861 -21.446 1.00 0.00 C ATOM 0 HA PRO A 37 5.996 -9.005 -22.325 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.298 -11.358 -22.737 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.718 -9.947 -23.687 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.129 -11.028 -21.197 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.854 -10.483 -22.696 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.701 -8.811 -20.536 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.558 -8.181 -22.166 1.00 0.00 H new ATOM 571 N LYS A 38 5.054 -10.976 -20.972 1.00 0.00 N ATOM 572 CA LYS A 38 4.369 -11.832 -20.010 1.00 0.00 C ATOM 573 C LYS A 38 5.191 -13.080 -19.689 1.00 0.00 C ATOM 574 O LYS A 38 4.758 -13.917 -18.899 1.00 0.00 O ATOM 575 CB LYS A 38 2.976 -12.188 -20.537 1.00 0.00 C ATOM 576 CG LYS A 38 2.016 -11.002 -20.380 1.00 0.00 C ATOM 577 CD LYS A 38 1.616 -10.824 -18.912 1.00 0.00 C ATOM 578 CE LYS A 38 0.649 -9.651 -18.753 1.00 0.00 C ATOM 579 NZ LYS A 38 -0.625 -9.888 -19.458 1.00 0.00 N ATOM 0 H LYS A 38 4.618 -10.952 -21.894 1.00 0.00 H new ATOM 0 HA LYS A 38 4.254 -11.287 -19.073 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.041 -12.473 -21.587 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.587 -13.051 -19.996 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.491 -10.092 -20.746 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.126 -11.164 -20.988 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.150 -11.738 -18.544 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.506 -10.653 -18.306 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.452 -9.484 -17.694 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.113 -8.743 -19.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.332 -9.196 -19.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.479 -9.786 -20.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.963 -10.849 -19.250 1.00 0.00 H new ATOM 593 N ASP A 39 6.376 -13.211 -20.295 1.00 0.00 N ATOM 594 CA ASP A 39 7.318 -14.274 -19.975 1.00 0.00 C ATOM 595 C ASP A 39 7.861 -14.090 -18.556 1.00 0.00 C ATOM 596 O ASP A 39 8.449 -15.011 -17.991 1.00 0.00 O ATOM 597 CB ASP A 39 8.477 -14.225 -20.970 1.00 0.00 C ATOM 598 CG ASP A 39 9.398 -15.435 -20.823 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.897 -16.567 -21.010 1.00 0.00 O ATOM 600 OD2 ASP A 39 10.594 -15.219 -20.527 1.00 0.00 O ATOM 0 H ASP A 39 6.704 -12.577 -21.023 1.00 0.00 H new ATOM 0 HA ASP A 39 6.810 -15.236 -20.036 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.083 -14.188 -21.986 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.050 -13.311 -20.817 1.00 0.00 H new ATOM 605 N VAL A 40 7.661 -12.897 -17.983 1.00 0.00 N ATOM 606 CA VAL A 40 8.125 -12.554 -16.647 1.00 0.00 C ATOM 607 C VAL A 40 7.010 -11.845 -15.883 1.00 0.00 C ATOM 608 O VAL A 40 5.963 -11.530 -16.449 1.00 0.00 O ATOM 609 CB VAL A 40 9.385 -11.678 -16.732 1.00 0.00 C ATOM 610 CG1 VAL A 40 10.440 -12.321 -17.635 1.00 0.00 C ATOM 611 CG2 VAL A 40 9.077 -10.293 -17.296 1.00 0.00 C ATOM 0 H VAL A 40 7.164 -12.137 -18.447 1.00 0.00 H new ATOM 0 HA VAL A 40 8.387 -13.465 -16.108 1.00 0.00 H new ATOM 0 HB VAL A 40 9.759 -11.584 -15.713 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.321 -11.681 -17.678 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.718 -13.295 -17.233 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.033 -12.446 -18.638 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.994 -9.706 -17.339 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.662 -10.393 -18.299 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.355 -9.791 -16.653 1.00 0.00 H new ATOM 621 N ALA A 41 7.230 -11.590 -14.591 1.00 0.00 N ATOM 622 CA ALA A 41 6.233 -10.947 -13.753 1.00 0.00 C ATOM 623 C ALA A 41 6.739 -9.602 -13.239 1.00 0.00 C ATOM 624 O ALA A 41 7.937 -9.328 -13.267 1.00 0.00 O ATOM 625 CB ALA A 41 5.874 -11.884 -12.600 1.00 0.00 C ATOM 0 H ALA A 41 8.097 -11.823 -14.107 1.00 0.00 H new ATOM 0 HA ALA A 41 5.337 -10.747 -14.341 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.126 -11.410 -11.965 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.473 -12.815 -13.000 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.767 -12.096 -12.012 1.00 0.00 H new ATOM 631 N VAL A 42 5.811 -8.767 -12.769 1.00 0.00 N ATOM 632 CA VAL A 42 6.110 -7.457 -12.206 1.00 0.00 C ATOM 633 C VAL A 42 5.032 -7.093 -11.189 1.00 0.00 C ATOM 634 O VAL A 42 3.871 -6.900 -11.540 1.00 0.00 O ATOM 635 CB VAL A 42 6.249 -6.402 -13.317 1.00 0.00 C ATOM 636 CG1 VAL A 42 5.261 -6.627 -14.457 1.00 0.00 C ATOM 637 CG2 VAL A 42 6.059 -4.984 -12.779 1.00 0.00 C ATOM 0 H VAL A 42 4.815 -8.989 -12.771 1.00 0.00 H new ATOM 0 HA VAL A 42 7.069 -7.486 -11.689 1.00 0.00 H new ATOM 0 HB VAL A 42 7.263 -6.513 -13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.399 -5.857 -15.216 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.434 -7.608 -14.900 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.243 -6.578 -14.071 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.165 -4.268 -13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.065 -4.891 -12.341 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.811 -4.780 -12.017 1.00 0.00 H new ATOM 647 N HIS A 43 5.428 -7.001 -9.917 1.00 0.00 N ATOM 648 CA HIS A 43 4.528 -6.645 -8.826 1.00 0.00 C ATOM 649 C HIS A 43 5.247 -5.761 -7.808 1.00 0.00 C ATOM 650 O HIS A 43 6.477 -5.729 -7.765 1.00 0.00 O ATOM 651 CB HIS A 43 4.035 -7.913 -8.121 1.00 0.00 C ATOM 652 CG HIS A 43 3.249 -8.849 -9.000 1.00 0.00 C ATOM 653 ND1 HIS A 43 1.883 -9.025 -8.982 1.00 0.00 N ATOM 654 CD2 HIS A 43 3.764 -9.683 -9.956 1.00 0.00 C ATOM 655 CE1 HIS A 43 1.586 -9.945 -9.919 1.00 0.00 C ATOM 656 NE2 HIS A 43 2.698 -10.374 -10.539 1.00 0.00 N ATOM 0 H HIS A 43 6.388 -7.173 -9.617 1.00 0.00 H new ATOM 0 HA HIS A 43 3.682 -6.100 -9.244 1.00 0.00 H new ATOM 0 HB2 HIS A 43 4.895 -8.448 -7.719 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.415 -7.624 -7.273 1.00 0.00 H new ATOM 0 HD2 HIS A 43 4.808 -9.788 -10.214 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.588 -10.292 -10.142 1.00 0.00 H new ATOM 0 HE2 HIS A 43 2.753 -11.066 -11.286 1.00 0.00 H new ATOM 664 N ARG A 44 4.478 -5.044 -6.985 1.00 0.00 N ATOM 665 CA ARG A 44 5.028 -4.252 -5.892 1.00 0.00 C ATOM 666 C ARG A 44 5.270 -5.158 -4.682 1.00 0.00 C ATOM 667 O ARG A 44 4.767 -6.279 -4.643 1.00 0.00 O ATOM 668 CB ARG A 44 4.070 -3.101 -5.565 1.00 0.00 C ATOM 669 CG ARG A 44 2.734 -3.645 -5.062 1.00 0.00 C ATOM 670 CD ARG A 44 1.728 -2.531 -4.809 1.00 0.00 C ATOM 671 NE ARG A 44 1.035 -2.116 -6.030 1.00 0.00 N ATOM 672 CZ ARG A 44 0.218 -1.061 -6.083 1.00 0.00 C ATOM 673 NH1 ARG A 44 0.014 -0.296 -5.012 1.00 0.00 N ATOM 674 NH2 ARG A 44 -0.406 -0.766 -7.220 1.00 0.00 N ATOM 0 H ARG A 44 3.462 -4.999 -7.060 1.00 0.00 H new ATOM 0 HA ARG A 44 5.985 -3.816 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.514 -2.454 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.910 -2.490 -6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.327 -4.343 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.894 -4.206 -4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.995 -2.867 -4.075 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.242 -1.672 -4.377 1.00 0.00 H new ATOM 0 HE ARG A 44 1.183 -2.659 -6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.485 -0.512 -4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.613 0.506 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.260 -1.345 -8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.031 0.039 -7.265 1.00 0.00 H new ATOM 688 N GLU A 45 6.033 -4.694 -3.689 1.00 0.00 N ATOM 689 CA GLU A 45 6.365 -5.529 -2.538 1.00 0.00 C ATOM 690 C GLU A 45 5.155 -5.784 -1.637 1.00 0.00 C ATOM 691 O GLU A 45 5.088 -6.817 -0.976 1.00 0.00 O ATOM 692 CB GLU A 45 7.471 -4.868 -1.715 1.00 0.00 C ATOM 693 CG GLU A 45 8.764 -4.740 -2.521 1.00 0.00 C ATOM 694 CD GLU A 45 9.915 -4.266 -1.636 1.00 0.00 C ATOM 695 OE1 GLU A 45 9.691 -3.326 -0.842 1.00 0.00 O ATOM 696 OE2 GLU A 45 11.015 -4.851 -1.761 1.00 0.00 O ATOM 0 H GLU A 45 6.428 -3.754 -3.661 1.00 0.00 H new ATOM 0 HA GLU A 45 6.703 -6.490 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.144 -3.881 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.658 -5.455 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.016 -5.702 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.618 -4.037 -3.341 1.00 0.00 H new ATOM 703 N GLU A 46 4.198 -4.854 -1.603 1.00 0.00 N ATOM 704 CA GLU A 46 3.002 -4.972 -0.775 1.00 0.00 C ATOM 705 C GLU A 46 1.991 -5.935 -1.403 1.00 0.00 C ATOM 706 O GLU A 46 0.929 -6.191 -0.837 1.00 0.00 O ATOM 707 CB GLU A 46 2.401 -3.572 -0.603 1.00 0.00 C ATOM 708 CG GLU A 46 1.361 -3.495 0.518 1.00 0.00 C ATOM 709 CD GLU A 46 1.961 -3.880 1.869 1.00 0.00 C ATOM 710 OE1 GLU A 46 2.711 -3.049 2.427 1.00 0.00 O ATOM 711 OE2 GLU A 46 1.668 -5.002 2.338 1.00 0.00 O ATOM 0 H GLU A 46 4.234 -3.995 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 46 3.264 -5.383 0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.202 -2.863 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.938 -3.265 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.959 -2.483 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.527 -4.158 0.287 1.00 0.00 H new ATOM 718 N ILE A 47 2.318 -6.473 -2.581 1.00 0.00 N ATOM 719 CA ILE A 47 1.421 -7.308 -3.369 1.00 0.00 C ATOM 720 C ILE A 47 2.096 -8.626 -3.740 1.00 0.00 C ATOM 721 O ILE A 47 1.409 -9.609 -4.003 1.00 0.00 O ATOM 722 CB ILE A 47 1.021 -6.492 -4.601 1.00 0.00 C ATOM 723 CG1 ILE A 47 0.007 -5.404 -4.222 1.00 0.00 C ATOM 724 CG2 ILE A 47 0.472 -7.307 -5.764 1.00 0.00 C ATOM 725 CD1 ILE A 47 -1.393 -5.955 -3.950 1.00 0.00 C ATOM 0 H ILE A 47 3.230 -6.336 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 47 0.530 -7.579 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 47 1.953 -6.051 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.362 -4.878 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.048 -4.671 -5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.218 -6.640 -6.588 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.225 -8.022 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.421 -7.844 -5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.062 -5.135 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.766 -6.456 -4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.350 -6.667 -3.125 1.00 0.00 H new ATOM 737 N TYR A 48 3.432 -8.668 -3.766 1.00 0.00 N ATOM 738 CA TYR A 48 4.137 -9.924 -3.957 1.00 0.00 C ATOM 739 C TYR A 48 4.023 -10.770 -2.692 1.00 0.00 C ATOM 740 O TYR A 48 3.770 -11.971 -2.763 1.00 0.00 O ATOM 741 CB TYR A 48 5.612 -9.662 -4.267 1.00 0.00 C ATOM 742 CG TYR A 48 6.417 -10.942 -4.281 1.00 0.00 C ATOM 743 CD1 TYR A 48 6.499 -11.708 -5.453 1.00 0.00 C ATOM 744 CD2 TYR A 48 7.072 -11.365 -3.116 1.00 0.00 C ATOM 745 CE1 TYR A 48 7.221 -12.909 -5.456 1.00 0.00 C ATOM 746 CE2 TYR A 48 7.792 -12.566 -3.109 1.00 0.00 C ATOM 747 CZ TYR A 48 7.873 -13.343 -4.283 1.00 0.00 C ATOM 748 OH TYR A 48 8.581 -14.508 -4.281 1.00 0.00 O ATOM 0 H TYR A 48 4.035 -7.852 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 48 3.689 -10.457 -4.796 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.698 -9.167 -5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.025 -8.981 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.006 -11.372 -6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.021 -10.763 -2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.278 -13.502 -6.357 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.284 -12.897 -2.206 1.00 0.00 H new ATOM 0 HH TYR A 48 8.966 -14.655 -3.392 1.00 0.00 H new ATOM 846 N MET B 1 2.671 -1.754 -21.131 1.00 0.00 N ATOM 847 CA MET B 1 3.384 -1.279 -19.933 1.00 0.00 C ATOM 848 C MET B 1 2.503 -1.401 -18.697 1.00 0.00 C ATOM 849 O MET B 1 1.283 -1.307 -18.802 1.00 0.00 O ATOM 850 CB MET B 1 3.843 0.171 -20.126 1.00 0.00 C ATOM 851 CG MET B 1 4.687 0.652 -18.948 1.00 0.00 C ATOM 852 SD MET B 1 5.703 2.112 -19.296 1.00 0.00 S ATOM 853 CE MET B 1 4.411 3.275 -19.802 1.00 0.00 C ATOM 0 H1 MET B 1 3.351 -2.173 -21.797 1.00 0.00 H new ATOM 0 H2 MET B 1 1.969 -2.471 -20.856 1.00 0.00 H new ATOM 0 H3 MET B 1 2.188 -0.954 -21.587 1.00 0.00 H new ATOM 0 HA MET B 1 4.264 -1.905 -19.786 1.00 0.00 H new ATOM 0 HB2 MET B 1 4.422 0.251 -21.046 1.00 0.00 H new ATOM 0 HB3 MET B 1 2.973 0.817 -20.239 1.00 0.00 H new ATOM 0 HG2 MET B 1 4.025 0.877 -18.111 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.339 -0.161 -18.629 1.00 0.00 H new ATOM 0 HE1 MET B 1 4.869 4.211 -20.122 1.00 0.00 H new ATOM 0 HE2 MET B 1 3.841 2.849 -20.628 1.00 0.00 H new ATOM 0 HE3 MET B 1 3.744 3.466 -18.961 1.00 0.00 H new ATOM 865 N LEU B 2 3.122 -1.611 -17.531 1.00 0.00 N ATOM 866 CA LEU B 2 2.428 -1.695 -16.256 1.00 0.00 C ATOM 867 C LEU B 2 2.803 -0.476 -15.416 1.00 0.00 C ATOM 868 O LEU B 2 3.860 -0.443 -14.787 1.00 0.00 O ATOM 869 CB LEU B 2 2.810 -3.002 -15.550 1.00 0.00 C ATOM 870 CG LEU B 2 1.749 -3.507 -14.561 1.00 0.00 C ATOM 871 CD1 LEU B 2 2.406 -4.190 -13.377 1.00 0.00 C ATOM 872 CD2 LEU B 2 0.813 -2.443 -14.010 1.00 0.00 C ATOM 0 H LEU B 2 4.132 -1.728 -17.452 1.00 0.00 H new ATOM 0 HA LEU B 2 1.348 -1.699 -16.404 1.00 0.00 H new ATOM 0 HB2 LEU B 2 2.988 -3.771 -16.302 1.00 0.00 H new ATOM 0 HB3 LEU B 2 3.749 -2.855 -15.017 1.00 0.00 H new ATOM 0 HG LEU B 2 1.145 -4.194 -15.154 1.00 0.00 H new ATOM 0 HD11 LEU B 2 1.638 -4.541 -12.687 1.00 0.00 H new ATOM 0 HD12 LEU B 2 2.995 -5.038 -13.727 1.00 0.00 H new ATOM 0 HD13 LEU B 2 3.058 -3.483 -12.865 1.00 0.00 H new ATOM 0 HD21 LEU B 2 0.103 -2.903 -13.322 1.00 0.00 H new ATOM 0 HD22 LEU B 2 1.393 -1.687 -13.481 1.00 0.00 H new ATOM 0 HD23 LEU B 2 0.271 -1.975 -14.831 1.00 0.00 H new ATOM 884 N ILE B 3 1.928 0.530 -15.408 1.00 0.00 N ATOM 885 CA ILE B 3 2.154 1.781 -14.707 1.00 0.00 C ATOM 886 C ILE B 3 1.811 1.619 -13.227 1.00 0.00 C ATOM 887 O ILE B 3 0.859 0.924 -12.881 1.00 0.00 O ATOM 888 CB ILE B 3 1.303 2.872 -15.373 1.00 0.00 C ATOM 889 CG1 ILE B 3 1.834 3.180 -16.780 1.00 0.00 C ATOM 890 CG2 ILE B 3 1.357 4.168 -14.560 1.00 0.00 C ATOM 891 CD1 ILE B 3 1.350 2.218 -17.862 1.00 0.00 C ATOM 0 H ILE B 3 1.033 0.492 -15.896 1.00 0.00 H new ATOM 0 HA ILE B 3 3.203 2.070 -14.766 1.00 0.00 H new ATOM 0 HB ILE B 3 0.279 2.503 -15.426 1.00 0.00 H new ATOM 0 HG12 ILE B 3 1.538 4.193 -17.053 1.00 0.00 H new ATOM 0 HG13 ILE B 3 2.924 3.162 -16.756 1.00 0.00 H new ATOM 0 HG21 ILE B 3 0.748 4.929 -15.048 1.00 0.00 H new ATOM 0 HG22 ILE B 3 0.973 3.984 -13.557 1.00 0.00 H new ATOM 0 HG23 ILE B 3 2.388 4.515 -14.496 1.00 0.00 H new ATOM 0 HD11 ILE B 3 1.773 2.509 -18.823 1.00 0.00 H new ATOM 0 HD12 ILE B 3 1.669 1.205 -17.617 1.00 0.00 H new ATOM 0 HD13 ILE B 3 0.262 2.252 -17.919 1.00 0.00 H new ATOM 903 N LEU B 4 2.593 2.268 -12.359 1.00 0.00 N ATOM 904 CA LEU B 4 2.390 2.273 -10.917 1.00 0.00 C ATOM 905 C LEU B 4 2.803 3.643 -10.373 1.00 0.00 C ATOM 906 O LEU B 4 3.928 4.083 -10.607 1.00 0.00 O ATOM 907 CB LEU B 4 3.252 1.190 -10.253 1.00 0.00 C ATOM 908 CG LEU B 4 2.875 -0.247 -10.630 1.00 0.00 C ATOM 909 CD1 LEU B 4 3.885 -1.202 -10.002 1.00 0.00 C ATOM 910 CD2 LEU B 4 1.508 -0.646 -10.081 1.00 0.00 C ATOM 0 H LEU B 4 3.402 2.816 -12.652 1.00 0.00 H new ATOM 0 HA LEU B 4 1.341 2.072 -10.698 1.00 0.00 H new ATOM 0 HB2 LEU B 4 4.295 1.360 -10.520 1.00 0.00 H new ATOM 0 HB3 LEU B 4 3.179 1.299 -9.171 1.00 0.00 H new ATOM 0 HG LEU B 4 2.862 -0.301 -11.719 1.00 0.00 H new ATOM 0 HD11 LEU B 4 3.627 -2.228 -10.264 1.00 0.00 H new ATOM 0 HD12 LEU B 4 4.883 -0.973 -10.375 1.00 0.00 H new ATOM 0 HD13 LEU B 4 3.868 -1.089 -8.918 1.00 0.00 H new ATOM 0 HD21 LEU B 4 1.284 -1.672 -10.373 1.00 0.00 H new ATOM 0 HD22 LEU B 4 1.517 -0.572 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU B 4 0.746 0.021 -10.483 1.00 0.00 H new ATOM 922 N THR B 5 1.915 4.326 -9.647 1.00 0.00 N ATOM 923 CA THR B 5 2.275 5.590 -9.014 1.00 0.00 C ATOM 924 C THR B 5 3.066 5.300 -7.744 1.00 0.00 C ATOM 925 O THR B 5 2.497 5.128 -6.668 1.00 0.00 O ATOM 926 CB THR B 5 1.038 6.445 -8.736 1.00 0.00 C ATOM 927 OG1 THR B 5 0.372 6.680 -9.954 1.00 0.00 O ATOM 928 CG2 THR B 5 1.428 7.793 -8.139 1.00 0.00 C ATOM 0 H THR B 5 0.953 4.027 -9.486 1.00 0.00 H new ATOM 0 HA THR B 5 2.901 6.170 -9.692 1.00 0.00 H new ATOM 0 HB THR B 5 0.400 5.915 -8.029 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.425 7.226 -9.791 1.00 0.00 H new ATOM 0 HG21 THR B 5 0.530 8.381 -7.951 1.00 0.00 H new ATOM 0 HG22 THR B 5 1.961 7.635 -7.202 1.00 0.00 H new ATOM 0 HG23 THR B 5 2.072 8.327 -8.837 1.00 0.00 H new ATOM 936 N ARG B 6 4.391 5.246 -7.888 1.00 0.00 N ATOM 937 CA ARG B 6 5.335 4.973 -6.814 1.00 0.00 C ATOM 938 C ARG B 6 5.373 6.131 -5.825 1.00 0.00 C ATOM 939 O ARG B 6 4.741 7.162 -6.048 1.00 0.00 O ATOM 940 CB ARG B 6 6.726 4.802 -7.429 1.00 0.00 C ATOM 941 CG ARG B 6 6.768 3.643 -8.425 1.00 0.00 C ATOM 942 CD ARG B 6 6.852 2.307 -7.691 1.00 0.00 C ATOM 943 NE ARG B 6 8.133 2.183 -6.987 1.00 0.00 N ATOM 944 CZ ARG B 6 9.304 1.970 -7.592 1.00 0.00 C ATOM 945 NH1 ARG B 6 9.380 1.829 -8.914 1.00 0.00 N ATOM 946 NH2 ARG B 6 10.418 1.897 -6.870 1.00 0.00 N ATOM 0 H ARG B 6 4.847 5.397 -8.788 1.00 0.00 H new ATOM 0 HA ARG B 6 5.027 4.071 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG B 6 7.017 5.724 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG B 6 7.454 4.627 -6.637 1.00 0.00 H new ATOM 0 HG2 ARG B 6 5.877 3.664 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG B 6 7.627 3.756 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG B 6 6.031 2.225 -6.979 1.00 0.00 H new ATOM 0 HD3 ARG B 6 6.741 1.488 -8.402 1.00 0.00 H new ATOM 0 HE ARG B 6 8.129 2.265 -5.970 1.00 0.00 H new ATOM 0 HH11 ARG B 6 8.535 1.883 -9.482 1.00 0.00 H new ATOM 0 HH12 ARG B 6 10.284 1.667 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG B 6 10.377 2.004 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG B 6 11.314 1.734 -7.330 1.00 0.00 H new ATOM 960 N LYS B 7 6.117 5.961 -4.729 1.00 0.00 N ATOM 961 CA LYS B 7 6.400 7.034 -3.788 1.00 0.00 C ATOM 962 C LYS B 7 7.860 6.928 -3.364 1.00 0.00 C ATOM 963 O LYS B 7 8.446 5.851 -3.451 1.00 0.00 O ATOM 964 CB LYS B 7 5.460 6.971 -2.576 1.00 0.00 C ATOM 965 CG LYS B 7 4.001 6.760 -2.993 1.00 0.00 C ATOM 966 CD LYS B 7 3.057 7.006 -1.814 1.00 0.00 C ATOM 967 CE LYS B 7 1.652 6.526 -2.172 1.00 0.00 C ATOM 968 NZ LYS B 7 0.670 6.932 -1.149 1.00 0.00 N ATOM 0 H LYS B 7 6.539 5.069 -4.473 1.00 0.00 H new ATOM 0 HA LYS B 7 6.228 7.998 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.770 6.159 -1.918 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.544 7.895 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.751 7.435 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.868 5.744 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.418 6.479 -0.931 1.00 0.00 H new ATOM 0 HD3 LYS B 7 3.037 8.067 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.362 6.934 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.650 5.440 -2.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -0.275 6.592 -1.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 0.935 6.522 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.656 7.969 -1.074 1.00 0.00 H new ATOM 982 N VAL B 8 8.453 8.031 -2.906 1.00 0.00 N ATOM 983 CA VAL B 8 9.858 8.045 -2.511 1.00 0.00 C ATOM 984 C VAL B 8 10.114 7.004 -1.424 1.00 0.00 C ATOM 985 O VAL B 8 9.540 7.074 -0.339 1.00 0.00 O ATOM 986 CB VAL B 8 10.242 9.447 -2.027 1.00 0.00 C ATOM 987 CG1 VAL B 8 11.690 9.457 -1.540 1.00 0.00 C ATOM 988 CG2 VAL B 8 10.090 10.453 -3.170 1.00 0.00 C ATOM 0 H VAL B 8 7.979 8.928 -2.800 1.00 0.00 H new ATOM 0 HA VAL B 8 10.477 7.791 -3.372 1.00 0.00 H new ATOM 0 HB VAL B 8 9.582 9.724 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL B 8 11.952 10.458 -1.198 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.802 8.752 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL B 8 12.351 9.168 -2.357 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.365 11.447 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL B 8 10.742 10.167 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL B 8 9.055 10.462 -3.511 1.00 0.00 H new ATOM 998 N GLY B 9 10.985 6.039 -1.729 1.00 0.00 N ATOM 999 CA GLY B 9 11.381 4.987 -0.806 1.00 0.00 C ATOM 1000 C GLY B 9 10.671 3.664 -1.084 1.00 0.00 C ATOM 1001 O GLY B 9 11.025 2.645 -0.490 1.00 0.00 O ATOM 0 H GLY B 9 11.439 5.971 -2.640 1.00 0.00 H new ATOM 0 HA2 GLY B 9 12.459 4.838 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY B 9 11.165 5.304 0.214 1.00 0.00 H new ATOM 1005 N GLU B 10 9.675 3.659 -1.977 1.00 0.00 N ATOM 1006 CA GLU B 10 8.968 2.436 -2.335 1.00 0.00 C ATOM 1007 C GLU B 10 9.773 1.633 -3.355 1.00 0.00 C ATOM 1008 O GLU B 10 10.703 2.149 -3.977 1.00 0.00 O ATOM 1009 CB GLU B 10 7.595 2.778 -2.922 1.00 0.00 C ATOM 1010 CG GLU B 10 6.706 3.485 -1.899 1.00 0.00 C ATOM 1011 CD GLU B 10 6.438 2.603 -0.679 1.00 0.00 C ATOM 1012 OE1 GLU B 10 5.790 1.549 -0.858 1.00 0.00 O ATOM 1013 OE2 GLU B 10 6.884 2.989 0.425 1.00 0.00 O ATOM 0 H GLU B 10 9.344 4.493 -2.463 1.00 0.00 H new ATOM 0 HA GLU B 10 8.838 1.836 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU B 10 7.721 3.415 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU B 10 7.106 1.865 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.183 4.412 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU B 10 5.760 3.758 -2.366 1.00 0.00 H new ATOM 1020 N SER B 11 9.411 0.359 -3.527 1.00 0.00 N ATOM 1021 CA SER B 11 10.118 -0.538 -4.426 1.00 0.00 C ATOM 1022 C SER B 11 9.145 -1.406 -5.215 1.00 0.00 C ATOM 1023 O SER B 11 7.975 -1.540 -4.855 1.00 0.00 O ATOM 1024 CB SER B 11 11.065 -1.428 -3.619 1.00 0.00 C ATOM 1025 OG SER B 11 12.058 -0.646 -2.992 1.00 0.00 O ATOM 0 H SER B 11 8.622 -0.072 -3.046 1.00 0.00 H new ATOM 0 HA SER B 11 10.688 0.064 -5.134 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.502 -1.983 -2.869 1.00 0.00 H new ATOM 0 HB3 SER B 11 11.532 -2.163 -4.275 1.00 0.00 H new ATOM 0 HG SER B 11 12.840 -0.579 -3.578 1.00 0.00 H new ATOM 1031 N ILE B 12 9.655 -1.993 -6.299 1.00 0.00 N ATOM 1032 CA ILE B 12 8.937 -2.911 -7.175 1.00 0.00 C ATOM 1033 C ILE B 12 9.835 -4.122 -7.419 1.00 0.00 C ATOM 1034 O ILE B 12 11.032 -4.070 -7.143 1.00 0.00 O ATOM 1035 CB ILE B 12 8.586 -2.190 -8.489 1.00 0.00 C ATOM 1036 CG1 ILE B 12 7.646 -1.003 -8.250 1.00 0.00 C ATOM 1037 CG2 ILE B 12 7.952 -3.119 -9.529 1.00 0.00 C ATOM 1038 CD1 ILE B 12 6.274 -1.399 -7.702 1.00 0.00 C ATOM 0 H ILE B 12 10.617 -1.834 -6.599 1.00 0.00 H new ATOM 0 HA ILE B 12 8.003 -3.245 -6.723 1.00 0.00 H new ATOM 0 HB ILE B 12 9.537 -1.832 -8.883 1.00 0.00 H new ATOM 0 HG12 ILE B 12 8.119 -0.312 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE B 12 7.510 -0.465 -9.188 1.00 0.00 H new ATOM 0 HG21 ILE B 12 7.727 -2.553 -10.433 1.00 0.00 H new ATOM 0 HG22 ILE B 12 8.646 -3.925 -9.768 1.00 0.00 H new ATOM 0 HG23 ILE B 12 7.031 -3.541 -9.127 1.00 0.00 H new ATOM 0 HD11 ILE B 12 5.667 -0.505 -7.560 1.00 0.00 H new ATOM 0 HD12 ILE B 12 5.779 -2.065 -8.408 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.397 -1.910 -6.747 1.00 0.00 H new ATOM 1050 N ASN B 13 9.272 -5.217 -7.932 1.00 0.00 N ATOM 1051 CA ASN B 13 10.041 -6.416 -8.212 1.00 0.00 C ATOM 1052 C ASN B 13 9.726 -6.913 -9.618 1.00 0.00 C ATOM 1053 O ASN B 13 8.614 -6.719 -10.108 1.00 0.00 O ATOM 1054 CB ASN B 13 9.711 -7.465 -7.148 1.00 0.00 C ATOM 1055 CG ASN B 13 10.761 -8.562 -7.137 1.00 0.00 C ATOM 1056 OD1 ASN B 13 10.522 -9.676 -7.596 1.00 0.00 O ATOM 1057 ND2 ASN B 13 11.935 -8.241 -6.607 1.00 0.00 N ATOM 0 H ASN B 13 8.281 -5.292 -8.161 1.00 0.00 H new ATOM 0 HA ASN B 13 11.110 -6.207 -8.174 1.00 0.00 H new ATOM 0 HB2 ASN B 13 9.660 -6.993 -6.167 1.00 0.00 H new ATOM 0 HB3 ASN B 13 8.729 -7.895 -7.346 1.00 0.00 H new ATOM 0 HD21 ASN B 13 12.684 -8.933 -6.569 1.00 0.00 H new ATOM 0 HD22 ASN B 13 12.088 -7.303 -6.238 1.00 0.00 H new ATOM 1064 N ILE B 14 10.703 -7.554 -10.267 1.00 0.00 N ATOM 1065 CA ILE B 14 10.551 -8.038 -11.633 1.00 0.00 C ATOM 1066 C ILE B 14 11.203 -9.414 -11.763 1.00 0.00 C ATOM 1067 O ILE B 14 12.221 -9.690 -11.129 1.00 0.00 O ATOM 1068 CB ILE B 14 11.176 -7.038 -12.620 1.00 0.00 C ATOM 1069 CG1 ILE B 14 10.584 -5.633 -12.426 1.00 0.00 C ATOM 1070 CG2 ILE B 14 10.926 -7.514 -14.054 1.00 0.00 C ATOM 1071 CD1 ILE B 14 11.260 -4.598 -13.328 1.00 0.00 C ATOM 0 H ILE B 14 11.617 -7.749 -9.858 1.00 0.00 H new ATOM 0 HA ILE B 14 9.491 -8.131 -11.871 1.00 0.00 H new ATOM 0 HB ILE B 14 12.248 -6.985 -12.431 1.00 0.00 H new ATOM 0 HG12 ILE B 14 9.515 -5.657 -12.639 1.00 0.00 H new ATOM 0 HG13 ILE B 14 10.695 -5.333 -11.384 1.00 0.00 H new ATOM 0 HG21 ILE B 14 11.369 -6.806 -14.755 1.00 0.00 H new ATOM 0 HG22 ILE B 14 11.378 -8.496 -14.196 1.00 0.00 H new ATOM 0 HG23 ILE B 14 9.853 -7.580 -14.234 1.00 0.00 H new ATOM 0 HD11 ILE B 14 10.811 -3.619 -13.159 1.00 0.00 H new ATOM 0 HD12 ILE B 14 12.324 -4.554 -13.097 1.00 0.00 H new ATOM 0 HD13 ILE B 14 11.127 -4.883 -14.372 1.00 0.00 H new ATOM 1083 N GLY B 15 10.609 -10.278 -12.591 1.00 0.00 N ATOM 1084 CA GLY B 15 11.104 -11.629 -12.808 1.00 0.00 C ATOM 1085 C GLY B 15 11.214 -12.374 -11.482 1.00 0.00 C ATOM 1086 O GLY B 15 10.233 -12.494 -10.748 1.00 0.00 O ATOM 0 H GLY B 15 9.771 -10.055 -13.128 1.00 0.00 H new ATOM 0 HA2 GLY B 15 10.433 -12.165 -13.479 1.00 0.00 H new ATOM 0 HA3 GLY B 15 12.079 -11.592 -13.294 1.00 0.00 H new ATOM 1090 N ASP B 16 12.412 -12.874 -11.179 1.00 0.00 N ATOM 1091 CA ASP B 16 12.702 -13.561 -9.929 1.00 0.00 C ATOM 1092 C ASP B 16 14.093 -13.176 -9.413 1.00 0.00 C ATOM 1093 O ASP B 16 14.556 -13.711 -8.407 1.00 0.00 O ATOM 1094 CB ASP B 16 12.590 -15.071 -10.158 1.00 0.00 C ATOM 1095 CG ASP B 16 12.711 -15.861 -8.856 1.00 0.00 C ATOM 1096 OD1 ASP B 16 11.907 -15.589 -7.935 1.00 0.00 O ATOM 1097 OD2 ASP B 16 13.607 -16.730 -8.792 1.00 0.00 O ATOM 0 H ASP B 16 13.215 -12.810 -11.805 1.00 0.00 H new ATOM 0 HA ASP B 16 11.982 -13.263 -9.167 1.00 0.00 H new ATOM 0 HB2 ASP B 16 11.634 -15.296 -10.630 1.00 0.00 H new ATOM 0 HB3 ASP B 16 13.370 -15.391 -10.849 1.00 0.00 H new ATOM 1102 N ASP B 17 14.762 -12.245 -10.103 1.00 0.00 N ATOM 1103 CA ASP B 17 16.130 -11.858 -9.797 1.00 0.00 C ATOM 1104 C ASP B 17 16.355 -10.349 -9.924 1.00 0.00 C ATOM 1105 O ASP B 17 17.488 -9.892 -9.785 1.00 0.00 O ATOM 1106 CB ASP B 17 17.081 -12.625 -10.721 1.00 0.00 C ATOM 1107 CG ASP B 17 16.945 -12.191 -12.180 1.00 0.00 C ATOM 1108 OD1 ASP B 17 15.851 -12.401 -12.750 1.00 0.00 O ATOM 1109 OD2 ASP B 17 17.938 -11.651 -12.716 1.00 0.00 O ATOM 0 H ASP B 17 14.360 -11.740 -10.893 1.00 0.00 H new ATOM 0 HA ASP B 17 16.331 -12.112 -8.756 1.00 0.00 H new ATOM 0 HB2 ASP B 17 18.108 -12.469 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP B 17 16.879 -13.693 -10.641 1.00 0.00 H new ATOM 1114 N ILE B 18 15.300 -9.567 -10.186 1.00 0.00 N ATOM 1115 CA ILE B 18 15.432 -8.129 -10.388 1.00 0.00 C ATOM 1116 C ILE B 18 14.519 -7.380 -9.422 1.00 0.00 C ATOM 1117 O ILE B 18 13.396 -7.805 -9.163 1.00 0.00 O ATOM 1118 CB ILE B 18 15.091 -7.787 -11.845 1.00 0.00 C ATOM 1119 CG1 ILE B 18 16.040 -8.519 -12.802 1.00 0.00 C ATOM 1120 CG2 ILE B 18 15.185 -6.274 -12.072 1.00 0.00 C ATOM 1121 CD1 ILE B 18 15.527 -8.456 -14.240 1.00 0.00 C ATOM 0 H ILE B 18 14.344 -9.914 -10.262 1.00 0.00 H new ATOM 0 HA ILE B 18 16.459 -7.822 -10.188 1.00 0.00 H new ATOM 0 HB ILE B 18 14.070 -8.112 -12.045 1.00 0.00 H new ATOM 0 HG12 ILE B 18 17.033 -8.072 -12.747 1.00 0.00 H new ATOM 0 HG13 ILE B 18 16.141 -9.560 -12.494 1.00 0.00 H new ATOM 0 HG21 ILE B 18 14.941 -6.046 -13.109 1.00 0.00 H new ATOM 0 HG22 ILE B 18 14.483 -5.763 -11.413 1.00 0.00 H new ATOM 0 HG23 ILE B 18 16.198 -5.936 -11.855 1.00 0.00 H new ATOM 0 HD11 ILE B 18 16.219 -8.983 -14.897 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.545 -8.925 -14.297 1.00 0.00 H new ATOM 0 HD13 ILE B 18 15.451 -7.415 -14.554 1.00 0.00 H new ATOM 1133 N THR B 19 15.009 -6.256 -8.890 1.00 0.00 N ATOM 1134 CA THR B 19 14.257 -5.412 -7.973 1.00 0.00 C ATOM 1135 C THR B 19 14.525 -3.953 -8.310 1.00 0.00 C ATOM 1136 O THR B 19 15.616 -3.613 -8.759 1.00 0.00 O ATOM 1137 CB THR B 19 14.669 -5.718 -6.527 1.00 0.00 C ATOM 1138 OG1 THR B 19 14.563 -7.102 -6.273 1.00 0.00 O ATOM 1139 CG2 THR B 19 13.779 -4.986 -5.524 1.00 0.00 C ATOM 0 H THR B 19 15.947 -5.909 -9.089 1.00 0.00 H new ATOM 0 HA THR B 19 13.190 -5.612 -8.074 1.00 0.00 H new ATOM 0 HB THR B 19 15.699 -5.382 -6.409 1.00 0.00 H new ATOM 0 HG1 THR B 19 14.830 -7.286 -5.348 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.100 -5.226 -4.510 1.00 0.00 H new ATOM 0 HG22 THR B 19 13.858 -3.911 -5.685 1.00 0.00 H new ATOM 0 HG23 THR B 19 12.744 -5.298 -5.661 1.00 0.00 H new ATOM 1147 N ILE B 20 13.535 -3.087 -8.096 1.00 0.00 N ATOM 1148 CA ILE B 20 13.642 -1.674 -8.440 1.00 0.00 C ATOM 1149 C ILE B 20 13.254 -0.828 -7.232 1.00 0.00 C ATOM 1150 O ILE B 20 12.415 -1.240 -6.434 1.00 0.00 O ATOM 1151 CB ILE B 20 12.720 -1.361 -9.630 1.00 0.00 C ATOM 1152 CG1 ILE B 20 12.876 -2.354 -10.791 1.00 0.00 C ATOM 1153 CG2 ILE B 20 12.960 0.065 -10.136 1.00 0.00 C ATOM 1154 CD1 ILE B 20 14.256 -2.322 -11.447 1.00 0.00 C ATOM 0 H ILE B 20 12.640 -3.346 -7.681 1.00 0.00 H new ATOM 0 HA ILE B 20 14.669 -1.441 -8.721 1.00 0.00 H new ATOM 0 HB ILE B 20 11.700 -1.457 -9.259 1.00 0.00 H new ATOM 0 HG12 ILE B 20 12.682 -3.362 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE B 20 12.120 -2.138 -11.546 1.00 0.00 H new ATOM 0 HG21 ILE B 20 12.299 0.268 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE B 20 12.756 0.775 -9.334 1.00 0.00 H new ATOM 0 HG23 ILE B 20 13.997 0.168 -10.456 1.00 0.00 H new ATOM 0 HD11 ILE B 20 14.290 -3.050 -12.258 1.00 0.00 H new ATOM 0 HD12 ILE B 20 14.446 -1.325 -11.845 1.00 0.00 H new ATOM 0 HD13 ILE B 20 15.017 -2.568 -10.706 1.00 0.00 H new ATOM 1166 N THR B 21 13.862 0.353 -7.093 1.00 0.00 N ATOM 1167 CA THR B 21 13.569 1.275 -6.004 1.00 0.00 C ATOM 1168 C THR B 21 13.546 2.700 -6.552 1.00 0.00 C ATOM 1169 O THR B 21 14.162 2.973 -7.578 1.00 0.00 O ATOM 1170 CB THR B 21 14.635 1.122 -4.911 1.00 0.00 C ATOM 1171 OG1 THR B 21 14.736 -0.234 -4.535 1.00 0.00 O ATOM 1172 CG2 THR B 21 14.288 1.930 -3.662 1.00 0.00 C ATOM 0 H THR B 21 14.574 0.694 -7.739 1.00 0.00 H new ATOM 0 HA THR B 21 12.595 1.053 -5.568 1.00 0.00 H new ATOM 0 HB THR B 21 15.575 1.490 -5.322 1.00 0.00 H new ATOM 0 HG1 THR B 21 15.418 -0.330 -3.838 1.00 0.00 H new ATOM 0 HG21 THR B 21 15.068 1.794 -2.913 1.00 0.00 H new ATOM 0 HG22 THR B 21 14.213 2.986 -3.921 1.00 0.00 H new ATOM 0 HG23 THR B 21 13.335 1.587 -3.260 1.00 0.00 H new ATOM 1180 N ILE B 22 12.841 3.609 -5.874 1.00 0.00 N ATOM 1181 CA ILE B 22 12.807 5.015 -6.254 1.00 0.00 C ATOM 1182 C ILE B 22 13.355 5.817 -5.073 1.00 0.00 C ATOM 1183 O ILE B 22 12.675 6.044 -4.075 1.00 0.00 O ATOM 1184 CB ILE B 22 11.397 5.386 -6.749 1.00 0.00 C ATOM 1185 CG1 ILE B 22 11.370 6.693 -7.555 1.00 0.00 C ATOM 1186 CG2 ILE B 22 10.355 5.431 -5.632 1.00 0.00 C ATOM 1187 CD1 ILE B 22 11.933 7.899 -6.806 1.00 0.00 C ATOM 0 H ILE B 22 12.281 3.388 -5.050 1.00 0.00 H new ATOM 0 HA ILE B 22 13.445 5.254 -7.105 1.00 0.00 H new ATOM 0 HB ILE B 22 11.122 4.572 -7.420 1.00 0.00 H new ATOM 0 HG12 ILE B 22 11.938 6.552 -8.474 1.00 0.00 H new ATOM 0 HG13 ILE B 22 10.341 6.907 -7.846 1.00 0.00 H new ATOM 0 HG21 ILE B 22 9.385 5.698 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE B 22 10.288 4.452 -5.157 1.00 0.00 H new ATOM 0 HG23 ILE B 22 10.648 6.175 -4.891 1.00 0.00 H new ATOM 0 HD11 ILE B 22 11.878 8.781 -7.444 1.00 0.00 H new ATOM 0 HD12 ILE B 22 11.351 8.069 -5.900 1.00 0.00 H new ATOM 0 HD13 ILE B 22 12.972 7.709 -6.539 1.00 0.00 H new ATOM 1199 N LEU B 23 14.612 6.249 -5.199 1.00 0.00 N ATOM 1200 CA LEU B 23 15.359 6.838 -4.099 1.00 0.00 C ATOM 1201 C LEU B 23 14.875 8.247 -3.777 1.00 0.00 C ATOM 1202 O LEU B 23 14.990 8.689 -2.635 1.00 0.00 O ATOM 1203 CB LEU B 23 16.847 6.881 -4.450 1.00 0.00 C ATOM 1204 CG LEU B 23 17.366 5.557 -5.019 1.00 0.00 C ATOM 1205 CD1 LEU B 23 18.876 5.669 -5.189 1.00 0.00 C ATOM 1206 CD2 LEU B 23 17.072 4.377 -4.096 1.00 0.00 C ATOM 0 H LEU B 23 15.137 6.197 -6.072 1.00 0.00 H new ATOM 0 HA LEU B 23 15.198 6.216 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU B 23 17.021 7.675 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU B 23 17.418 7.135 -3.557 1.00 0.00 H new ATOM 0 HG LEU B 23 16.861 5.376 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU B 23 19.267 4.735 -5.594 1.00 0.00 H new ATOM 0 HD12 LEU B 23 19.105 6.486 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU B 23 19.337 5.866 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU B 23 17.459 3.461 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU B 23 17.552 4.541 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU B 23 15.995 4.285 -3.955 1.00 0.00 H new ATOM 1218 N GLY B 24 14.334 8.953 -4.772 1.00 0.00 N ATOM 1219 CA GLY B 24 13.777 10.273 -4.529 1.00 0.00 C ATOM 1220 C GLY B 24 13.570 11.072 -5.807 1.00 0.00 C ATOM 1221 O GLY B 24 13.825 10.591 -6.911 1.00 0.00 O ATOM 0 H GLY B 24 14.273 8.633 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY B 24 12.823 10.170 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY B 24 14.441 10.826 -3.864 1.00 0.00 H new ATOM 1225 N VAL B 25 13.101 12.310 -5.637 1.00 0.00 N ATOM 1226 CA VAL B 25 12.837 13.235 -6.726 1.00 0.00 C ATOM 1227 C VAL B 25 13.668 14.499 -6.520 1.00 0.00 C ATOM 1228 O VAL B 25 13.952 14.884 -5.387 1.00 0.00 O ATOM 1229 CB VAL B 25 11.328 13.517 -6.799 1.00 0.00 C ATOM 1230 CG1 VAL B 25 10.786 14.087 -5.486 1.00 0.00 C ATOM 1231 CG2 VAL B 25 10.996 14.489 -7.930 1.00 0.00 C ATOM 0 H VAL B 25 12.892 12.699 -4.718 1.00 0.00 H new ATOM 0 HA VAL B 25 13.130 12.806 -7.684 1.00 0.00 H new ATOM 0 HB VAL B 25 10.850 12.556 -6.991 1.00 0.00 H new ATOM 0 HG11 VAL B 25 9.716 14.271 -5.583 1.00 0.00 H new ATOM 0 HG12 VAL B 25 10.960 13.374 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL B 25 11.296 15.023 -5.258 1.00 0.00 H new ATOM 0 HG21 VAL B 25 9.921 14.666 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL B 25 11.516 15.432 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL B 25 11.314 14.063 -8.881 1.00 0.00 H new ATOM 1241 N SER B 26 14.055 15.139 -7.624 1.00 0.00 N ATOM 1242 CA SER B 26 14.884 16.335 -7.613 1.00 0.00 C ATOM 1243 C SER B 26 14.392 17.279 -8.701 1.00 0.00 C ATOM 1244 O SER B 26 15.009 17.398 -9.759 1.00 0.00 O ATOM 1245 CB SER B 26 16.349 15.958 -7.842 1.00 0.00 C ATOM 1246 OG SER B 26 16.805 15.119 -6.800 1.00 0.00 O ATOM 0 H SER B 26 13.795 14.833 -8.562 1.00 0.00 H new ATOM 0 HA SER B 26 14.812 16.832 -6.646 1.00 0.00 H new ATOM 0 HB2 SER B 26 16.456 15.451 -8.801 1.00 0.00 H new ATOM 0 HB3 SER B 26 16.961 16.859 -7.888 1.00 0.00 H new ATOM 0 HG SER B 26 17.743 14.882 -6.957 1.00 0.00 H new ATOM 1252 N GLY B 27 13.271 17.954 -8.439 1.00 0.00 N ATOM 1253 CA GLY B 27 12.658 18.834 -9.414 1.00 0.00 C ATOM 1254 C GLY B 27 12.196 18.031 -10.627 1.00 0.00 C ATOM 1255 O GLY B 27 11.463 17.054 -10.488 1.00 0.00 O ATOM 0 H GLY B 27 12.772 17.902 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY B 27 11.810 19.351 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY B 27 13.370 19.599 -9.724 1.00 0.00 H new ATOM 1259 N GLN B 28 12.626 18.446 -11.821 1.00 0.00 N ATOM 1260 CA GLN B 28 12.260 17.786 -13.066 1.00 0.00 C ATOM 1261 C GLN B 28 12.975 16.439 -13.224 1.00 0.00 C ATOM 1262 O GLN B 28 12.719 15.718 -14.188 1.00 0.00 O ATOM 1263 CB GLN B 28 12.600 18.727 -14.226 1.00 0.00 C ATOM 1264 CG GLN B 28 11.825 18.385 -15.502 1.00 0.00 C ATOM 1265 CD GLN B 28 10.319 18.546 -15.311 1.00 0.00 C ATOM 1266 OE1 GLN B 28 9.557 17.609 -15.528 1.00 0.00 O ATOM 1267 NE2 GLN B 28 9.877 19.731 -14.901 1.00 0.00 N ATOM 0 H GLN B 28 13.239 19.252 -11.947 1.00 0.00 H new ATOM 0 HA GLN B 28 11.191 17.571 -13.060 1.00 0.00 H new ATOM 0 HB2 GLN B 28 12.379 19.754 -13.934 1.00 0.00 H new ATOM 0 HB3 GLN B 28 13.670 18.677 -14.429 1.00 0.00 H new ATOM 0 HG2 GLN B 28 12.159 19.030 -16.314 1.00 0.00 H new ATOM 0 HG3 GLN B 28 12.046 17.360 -15.798 1.00 0.00 H new ATOM 0 HE21 GLN B 28 10.537 20.490 -14.729 1.00 0.00 H new ATOM 0 HE22 GLN B 28 8.878 19.881 -14.758 1.00 0.00 H new ATOM 1276 N GLN B 29 13.872 16.090 -12.292 1.00 0.00 N ATOM 1277 CA GLN B 29 14.615 14.841 -12.369 1.00 0.00 C ATOM 1278 C GLN B 29 14.169 13.870 -11.281 1.00 0.00 C ATOM 1279 O GLN B 29 13.508 14.262 -10.319 1.00 0.00 O ATOM 1280 CB GLN B 29 16.124 15.095 -12.283 1.00 0.00 C ATOM 1281 CG GLN B 29 16.545 16.326 -13.089 1.00 0.00 C ATOM 1282 CD GLN B 29 18.058 16.394 -13.204 1.00 0.00 C ATOM 1283 OE1 GLN B 29 18.658 15.727 -14.040 1.00 0.00 O ATOM 1284 NE2 GLN B 29 18.693 17.202 -12.363 1.00 0.00 N ATOM 0 H GLN B 29 14.096 16.662 -11.477 1.00 0.00 H new ATOM 0 HA GLN B 29 14.402 14.386 -13.336 1.00 0.00 H new ATOM 0 HB2 GLN B 29 16.410 15.229 -11.240 1.00 0.00 H new ATOM 0 HB3 GLN B 29 16.660 14.220 -12.650 1.00 0.00 H new ATOM 0 HG2 GLN B 29 16.100 16.287 -14.083 1.00 0.00 H new ATOM 0 HG3 GLN B 29 16.170 17.229 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN B 29 18.165 17.744 -11.679 1.00 0.00 H new ATOM 0 HE22 GLN B 29 19.709 17.281 -12.401 1.00 0.00 H new ATOM 1293 N VAL B 30 14.534 12.595 -11.436 1.00 0.00 N ATOM 1294 CA VAL B 30 14.148 11.529 -10.523 1.00 0.00 C ATOM 1295 C VAL B 30 15.309 10.552 -10.368 1.00 0.00 C ATOM 1296 O VAL B 30 15.908 10.139 -11.362 1.00 0.00 O ATOM 1297 CB VAL B 30 12.912 10.809 -11.077 1.00 0.00 C ATOM 1298 CG1 VAL B 30 12.485 9.671 -10.153 1.00 0.00 C ATOM 1299 CG2 VAL B 30 11.733 11.773 -11.207 1.00 0.00 C ATOM 0 H VAL B 30 15.114 12.275 -12.212 1.00 0.00 H new ATOM 0 HA VAL B 30 13.905 11.945 -9.545 1.00 0.00 H new ATOM 0 HB VAL B 30 13.184 10.415 -12.056 1.00 0.00 H new ATOM 0 HG11 VAL B 30 11.607 9.176 -10.567 1.00 0.00 H new ATOM 0 HG12 VAL B 30 13.298 8.951 -10.062 1.00 0.00 H new ATOM 0 HG13 VAL B 30 12.245 10.072 -9.169 1.00 0.00 H new ATOM 0 HG21 VAL B 30 10.868 11.239 -11.602 1.00 0.00 H new ATOM 0 HG22 VAL B 30 11.489 12.184 -10.227 1.00 0.00 H new ATOM 0 HG23 VAL B 30 11.999 12.584 -11.885 1.00 0.00 H new ATOM 1309 N ARG B 31 15.624 10.182 -9.122 1.00 0.00 N ATOM 1310 CA ARG B 31 16.702 9.249 -8.825 1.00 0.00 C ATOM 1311 C ARG B 31 16.123 7.866 -8.559 1.00 0.00 C ATOM 1312 O ARG B 31 15.512 7.630 -7.515 1.00 0.00 O ATOM 1313 CB ARG B 31 17.540 9.753 -7.648 1.00 0.00 C ATOM 1314 CG ARG B 31 18.779 8.874 -7.482 1.00 0.00 C ATOM 1315 CD ARG B 31 19.762 9.503 -6.492 1.00 0.00 C ATOM 1316 NE ARG B 31 20.356 10.722 -7.057 1.00 0.00 N ATOM 1317 CZ ARG B 31 21.536 11.243 -6.707 1.00 0.00 C ATOM 1318 NH1 ARG B 31 22.292 10.687 -5.765 1.00 0.00 N ATOM 1319 NH2 ARG B 31 21.967 12.345 -7.315 1.00 0.00 N ATOM 0 H ARG B 31 15.135 10.524 -8.295 1.00 0.00 H new ATOM 0 HA ARG B 31 17.368 9.177 -9.685 1.00 0.00 H new ATOM 0 HB2 ARG B 31 17.837 10.788 -7.818 1.00 0.00 H new ATOM 0 HB3 ARG B 31 16.946 9.737 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG B 31 18.485 7.885 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG B 31 19.266 8.737 -8.448 1.00 0.00 H new ATOM 0 HD2 ARG B 31 19.247 9.741 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG B 31 20.548 8.788 -6.248 1.00 0.00 H new ATOM 0 HE ARG B 31 19.824 11.212 -7.776 1.00 0.00 H new ATOM 0 HH11 ARG B 31 21.975 9.842 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG B 31 23.189 11.106 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG B 31 21.399 12.783 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG B 31 22.866 12.752 -7.056 1.00 0.00 H new ATOM 1333 N ILE B 32 16.328 6.961 -9.520 1.00 0.00 N ATOM 1334 CA ILE B 32 15.849 5.586 -9.465 1.00 0.00 C ATOM 1335 C ILE B 32 17.035 4.669 -9.158 1.00 0.00 C ATOM 1336 O ILE B 32 18.184 5.046 -9.391 1.00 0.00 O ATOM 1337 CB ILE B 32 15.188 5.239 -10.811 1.00 0.00 C ATOM 1338 CG1 ILE B 32 14.051 6.234 -11.097 1.00 0.00 C ATOM 1339 CG2 ILE B 32 14.632 3.810 -10.807 1.00 0.00 C ATOM 1340 CD1 ILE B 32 13.429 6.027 -12.479 1.00 0.00 C ATOM 0 H ILE B 32 16.843 7.173 -10.374 1.00 0.00 H new ATOM 0 HA ILE B 32 15.105 5.455 -8.680 1.00 0.00 H new ATOM 0 HB ILE B 32 15.947 5.306 -11.591 1.00 0.00 H new ATOM 0 HG12 ILE B 32 13.279 6.128 -10.335 1.00 0.00 H new ATOM 0 HG13 ILE B 32 14.435 7.251 -11.023 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.172 3.596 -11.772 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.443 3.104 -10.627 1.00 0.00 H new ATOM 0 HG23 ILE B 32 13.885 3.712 -10.019 1.00 0.00 H new ATOM 0 HD11 ILE B 32 12.632 6.754 -12.632 1.00 0.00 H new ATOM 0 HD12 ILE B 32 14.193 6.160 -13.245 1.00 0.00 H new ATOM 0 HD13 ILE B 32 13.019 5.019 -12.546 1.00 0.00 H new ATOM 1352 N GLY B 33 16.763 3.470 -8.638 1.00 0.00 N ATOM 1353 CA GLY B 33 17.790 2.502 -8.284 1.00 0.00 C ATOM 1354 C GLY B 33 17.427 1.115 -8.801 1.00 0.00 C ATOM 1355 O GLY B 33 16.522 0.471 -8.273 1.00 0.00 O ATOM 0 H GLY B 33 15.814 3.146 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY B 33 18.748 2.812 -8.702 1.00 0.00 H new ATOM 0 HA3 GLY B 33 17.910 2.472 -7.201 1.00 0.00 H new ATOM 1359 N ILE B 34 18.138 0.657 -9.834 1.00 0.00 N ATOM 1360 CA ILE B 34 17.917 -0.649 -10.437 1.00 0.00 C ATOM 1361 C ILE B 34 18.794 -1.686 -9.734 1.00 0.00 C ATOM 1362 O ILE B 34 20.006 -1.504 -9.634 1.00 0.00 O ATOM 1363 CB ILE B 34 18.264 -0.602 -11.933 1.00 0.00 C ATOM 1364 CG1 ILE B 34 17.403 0.397 -12.721 1.00 0.00 C ATOM 1365 CG2 ILE B 34 18.037 -1.995 -12.527 1.00 0.00 C ATOM 1366 CD1 ILE B 34 17.922 1.836 -12.636 1.00 0.00 C ATOM 0 H ILE B 34 18.888 1.190 -10.275 1.00 0.00 H new ATOM 0 HA ILE B 34 16.868 -0.925 -10.327 1.00 0.00 H new ATOM 0 HB ILE B 34 19.302 -0.280 -12.014 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.367 0.091 -13.767 1.00 0.00 H new ATOM 0 HG13 ILE B 34 16.381 0.363 -12.344 1.00 0.00 H new ATOM 0 HG21 ILE B 34 18.278 -1.981 -13.590 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.677 -2.716 -12.019 1.00 0.00 H new ATOM 0 HG23 ILE B 34 16.993 -2.281 -12.396 1.00 0.00 H new ATOM 0 HD11 ILE B 34 17.271 2.492 -13.213 1.00 0.00 H new ATOM 0 HD12 ILE B 34 17.932 2.158 -11.595 1.00 0.00 H new ATOM 0 HD13 ILE B 34 18.933 1.882 -13.040 1.00 0.00 H new ATOM 1378 N ASN B 35 18.189 -2.772 -9.245 1.00 0.00 N ATOM 1379 CA ASN B 35 18.907 -3.832 -8.550 1.00 0.00 C ATOM 1380 C ASN B 35 18.850 -5.115 -9.373 1.00 0.00 C ATOM 1381 O ASN B 35 17.823 -5.792 -9.410 1.00 0.00 O ATOM 1382 CB ASN B 35 18.311 -4.081 -7.162 1.00 0.00 C ATOM 1383 CG ASN B 35 18.192 -2.824 -6.316 1.00 0.00 C ATOM 1384 OD1 ASN B 35 19.024 -2.581 -5.448 1.00 0.00 O ATOM 1385 ND2 ASN B 35 17.162 -2.021 -6.563 1.00 0.00 N ATOM 0 H ASN B 35 17.185 -2.937 -9.323 1.00 0.00 H new ATOM 0 HA ASN B 35 19.944 -3.521 -8.426 1.00 0.00 H new ATOM 0 HB2 ASN B 35 17.323 -4.528 -7.275 1.00 0.00 H new ATOM 0 HB3 ASN B 35 18.930 -4.806 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN B 35 17.041 -1.165 -6.021 1.00 0.00 H new ATOM 0 HD22 ASN B 35 16.493 -2.260 -7.294 1.00 0.00 H new ATOM 1392 N ALA B 36 19.958 -5.447 -10.034 1.00 0.00 N ATOM 1393 CA ALA B 36 20.069 -6.658 -10.830 1.00 0.00 C ATOM 1394 C ALA B 36 21.497 -7.195 -10.749 1.00 0.00 C ATOM 1395 O ALA B 36 22.432 -6.422 -10.530 1.00 0.00 O ATOM 1396 CB ALA B 36 19.690 -6.328 -12.273 1.00 0.00 C ATOM 0 H ALA B 36 20.805 -4.878 -10.029 1.00 0.00 H new ATOM 0 HA ALA B 36 19.396 -7.427 -10.451 1.00 0.00 H new ATOM 0 HB1 ALA B 36 19.768 -7.227 -12.884 1.00 0.00 H new ATOM 0 HB2 ALA B 36 18.666 -5.956 -12.304 1.00 0.00 H new ATOM 0 HB3 ALA B 36 20.365 -5.565 -12.661 1.00 0.00 H new ATOM 1402 N PRO B 37 21.687 -8.510 -10.922 1.00 0.00 N ATOM 1403 CA PRO B 37 22.999 -9.129 -10.906 1.00 0.00 C ATOM 1404 C PRO B 37 23.743 -8.813 -12.200 1.00 0.00 C ATOM 1405 O PRO B 37 23.139 -8.401 -13.189 1.00 0.00 O ATOM 1406 CB PRO B 37 22.717 -10.628 -10.788 1.00 0.00 C ATOM 1407 CG PRO B 37 21.381 -10.782 -11.513 1.00 0.00 C ATOM 1408 CD PRO B 37 20.645 -9.495 -11.145 1.00 0.00 C ATOM 0 HA PRO B 37 23.626 -8.768 -10.091 1.00 0.00 H new ATOM 0 HB2 PRO B 37 23.501 -11.225 -11.255 1.00 0.00 H new ATOM 0 HB3 PRO B 37 22.651 -10.946 -9.748 1.00 0.00 H new ATOM 0 HG2 PRO B 37 21.514 -10.877 -12.591 1.00 0.00 H new ATOM 0 HG3 PRO B 37 20.839 -11.667 -11.179 1.00 0.00 H new ATOM 0 HD2 PRO B 37 19.973 -9.183 -11.945 1.00 0.00 H new ATOM 0 HD3 PRO B 37 20.035 -9.632 -10.252 1.00 0.00 H new ATOM 1416 N LYS B 38 25.065 -9.005 -12.199 1.00 0.00 N ATOM 1417 CA LYS B 38 25.887 -8.769 -13.379 1.00 0.00 C ATOM 1418 C LYS B 38 25.606 -9.805 -14.470 1.00 0.00 C ATOM 1419 O LYS B 38 26.191 -9.735 -15.549 1.00 0.00 O ATOM 1420 CB LYS B 38 27.365 -8.760 -12.976 1.00 0.00 C ATOM 1421 CG LYS B 38 27.700 -7.545 -12.097 1.00 0.00 C ATOM 1422 CD LYS B 38 27.633 -6.224 -12.868 1.00 0.00 C ATOM 1423 CE LYS B 38 28.657 -6.162 -14.004 1.00 0.00 C ATOM 1424 NZ LYS B 38 30.041 -6.220 -13.495 1.00 0.00 N ATOM 0 H LYS B 38 25.588 -9.326 -11.384 1.00 0.00 H new ATOM 0 HA LYS B 38 25.633 -7.796 -13.800 1.00 0.00 H new ATOM 0 HB2 LYS B 38 27.602 -9.677 -12.437 1.00 0.00 H new ATOM 0 HB3 LYS B 38 27.987 -8.746 -13.871 1.00 0.00 H new ATOM 0 HG2 LYS B 38 27.006 -7.507 -11.257 1.00 0.00 H new ATOM 0 HG3 LYS B 38 28.699 -7.668 -11.680 1.00 0.00 H new ATOM 0 HD2 LYS B 38 26.631 -6.095 -13.278 1.00 0.00 H new ATOM 0 HD3 LYS B 38 27.805 -5.396 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS B 38 28.487 -6.990 -14.692 1.00 0.00 H new ATOM 0 HE3 LYS B 38 28.516 -5.242 -14.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 30.704 -6.007 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 30.160 -5.522 -12.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 30.235 -7.172 -13.125 1.00 0.00 H new ATOM 1438 N ASP B 39 24.713 -10.764 -14.197 1.00 0.00 N ATOM 1439 CA ASP B 39 24.265 -11.739 -15.182 1.00 0.00 C ATOM 1440 C ASP B 39 23.427 -11.061 -16.268 1.00 0.00 C ATOM 1441 O ASP B 39 23.193 -11.640 -17.327 1.00 0.00 O ATOM 1442 CB ASP B 39 23.417 -12.800 -14.479 1.00 0.00 C ATOM 1443 CG ASP B 39 23.086 -13.965 -15.409 1.00 0.00 C ATOM 1444 OD1 ASP B 39 24.045 -14.622 -15.874 1.00 0.00 O ATOM 1445 OD2 ASP B 39 21.879 -14.191 -15.649 1.00 0.00 O ATOM 0 H ASP B 39 24.282 -10.881 -13.280 1.00 0.00 H new ATOM 0 HA ASP B 39 25.136 -12.198 -15.649 1.00 0.00 H new ATOM 0 HB2 ASP B 39 23.951 -13.172 -13.605 1.00 0.00 H new ATOM 0 HB3 ASP B 39 22.493 -12.348 -14.119 1.00 0.00 H new ATOM 1450 N VAL B 40 22.980 -9.830 -15.999 1.00 0.00 N ATOM 1451 CA VAL B 40 22.157 -9.052 -16.911 1.00 0.00 C ATOM 1452 C VAL B 40 22.696 -7.628 -16.992 1.00 0.00 C ATOM 1453 O VAL B 40 23.604 -7.261 -16.246 1.00 0.00 O ATOM 1454 CB VAL B 40 20.690 -9.075 -16.456 1.00 0.00 C ATOM 1455 CG1 VAL B 40 20.209 -10.516 -16.278 1.00 0.00 C ATOM 1456 CG2 VAL B 40 20.494 -8.346 -15.129 1.00 0.00 C ATOM 0 H VAL B 40 23.187 -9.345 -15.126 1.00 0.00 H new ATOM 0 HA VAL B 40 22.198 -9.492 -17.908 1.00 0.00 H new ATOM 0 HB VAL B 40 20.114 -8.569 -17.231 1.00 0.00 H new ATOM 0 HG11 VAL B 40 19.168 -10.515 -15.955 1.00 0.00 H new ATOM 0 HG12 VAL B 40 20.295 -11.048 -17.226 1.00 0.00 H new ATOM 0 HG13 VAL B 40 20.821 -11.014 -15.526 1.00 0.00 H new ATOM 0 HG21 VAL B 40 19.443 -8.386 -14.844 1.00 0.00 H new ATOM 0 HG22 VAL B 40 21.098 -8.825 -14.358 1.00 0.00 H new ATOM 0 HG23 VAL B 40 20.801 -7.306 -15.236 1.00 0.00 H new ATOM 1466 N ALA B 41 22.140 -6.819 -17.896 1.00 0.00 N ATOM 1467 CA ALA B 41 22.610 -5.459 -18.095 1.00 0.00 C ATOM 1468 C ALA B 41 21.516 -4.447 -17.766 1.00 0.00 C ATOM 1469 O ALA B 41 20.332 -4.779 -17.751 1.00 0.00 O ATOM 1470 CB ALA B 41 23.091 -5.309 -19.537 1.00 0.00 C ATOM 0 H ALA B 41 21.363 -7.089 -18.499 1.00 0.00 H new ATOM 0 HA ALA B 41 23.440 -5.259 -17.418 1.00 0.00 H new ATOM 0 HB1 ALA B 41 23.446 -4.291 -19.698 1.00 0.00 H new ATOM 0 HB2 ALA B 41 23.904 -6.011 -19.724 1.00 0.00 H new ATOM 0 HB3 ALA B 41 22.267 -5.518 -20.219 1.00 0.00 H new ATOM 1476 N VAL B 42 21.936 -3.209 -17.504 1.00 0.00 N ATOM 1477 CA VAL B 42 21.051 -2.092 -17.207 1.00 0.00 C ATOM 1478 C VAL B 42 21.695 -0.813 -17.729 1.00 0.00 C ATOM 1479 O VAL B 42 22.752 -0.400 -17.254 1.00 0.00 O ATOM 1480 CB VAL B 42 20.740 -2.020 -15.702 1.00 0.00 C ATOM 1481 CG1 VAL B 42 21.926 -2.454 -14.843 1.00 0.00 C ATOM 1482 CG2 VAL B 42 20.322 -0.611 -15.276 1.00 0.00 C ATOM 0 H VAL B 42 22.923 -2.954 -17.493 1.00 0.00 H new ATOM 0 HA VAL B 42 20.092 -2.229 -17.707 1.00 0.00 H new ATOM 0 HB VAL B 42 19.913 -2.711 -15.541 1.00 0.00 H new ATOM 0 HG11 VAL B 42 21.656 -2.385 -13.789 1.00 0.00 H new ATOM 0 HG12 VAL B 42 22.192 -3.483 -15.083 1.00 0.00 H new ATOM 0 HG13 VAL B 42 22.777 -1.803 -15.043 1.00 0.00 H new ATOM 0 HG21 VAL B 42 20.111 -0.602 -14.207 1.00 0.00 H new ATOM 0 HG22 VAL B 42 21.129 0.089 -15.493 1.00 0.00 H new ATOM 0 HG23 VAL B 42 19.428 -0.315 -15.825 1.00 0.00 H new ATOM 1492 N HIS B 43 21.051 -0.183 -18.716 1.00 0.00 N ATOM 1493 CA HIS B 43 21.536 1.055 -19.308 1.00 0.00 C ATOM 1494 C HIS B 43 20.372 1.996 -19.610 1.00 0.00 C ATOM 1495 O HIS B 43 19.223 1.572 -19.714 1.00 0.00 O ATOM 1496 CB HIS B 43 22.305 0.749 -20.600 1.00 0.00 C ATOM 1497 CG HIS B 43 23.591 -0.006 -20.380 1.00 0.00 C ATOM 1498 ND1 HIS B 43 24.862 0.519 -20.464 1.00 0.00 N ATOM 1499 CD2 HIS B 43 23.709 -1.332 -20.062 1.00 0.00 C ATOM 1500 CE1 HIS B 43 25.724 -0.468 -20.164 1.00 0.00 C ATOM 1501 NE2 HIS B 43 25.070 -1.616 -19.923 1.00 0.00 N ATOM 0 H HIS B 43 20.179 -0.522 -19.123 1.00 0.00 H new ATOM 0 HA HIS B 43 22.203 1.542 -18.597 1.00 0.00 H new ATOM 0 HB2 HIS B 43 21.664 0.170 -21.264 1.00 0.00 H new ATOM 0 HB3 HIS B 43 22.528 1.686 -21.109 1.00 0.00 H new ATOM 0 HD2 HIS B 43 22.896 -2.033 -19.940 1.00 0.00 H new ATOM 0 HE1 HIS B 43 26.797 -0.353 -20.122 1.00 0.00 H new ATOM 0 HE2 HIS B 43 25.485 -2.517 -19.685 1.00 0.00 H new ATOM 1509 N ARG B 44 20.687 3.285 -19.751 1.00 0.00 N ATOM 1510 CA ARG B 44 19.737 4.322 -20.131 1.00 0.00 C ATOM 1511 C ARG B 44 19.545 4.297 -21.648 1.00 0.00 C ATOM 1512 O ARG B 44 20.415 3.823 -22.376 1.00 0.00 O ATOM 1513 CB ARG B 44 20.283 5.669 -19.641 1.00 0.00 C ATOM 1514 CG ARG B 44 21.646 5.943 -20.282 1.00 0.00 C ATOM 1515 CD ARG B 44 22.632 6.627 -19.332 1.00 0.00 C ATOM 1516 NE ARG B 44 22.344 8.052 -19.177 1.00 0.00 N ATOM 1517 CZ ARG B 44 23.079 8.892 -18.444 1.00 0.00 C ATOM 1518 NH1 ARG B 44 24.123 8.449 -17.750 1.00 0.00 N ATOM 1519 NH2 ARG B 44 22.771 10.187 -18.402 1.00 0.00 N ATOM 0 H ARG B 44 21.631 3.640 -19.600 1.00 0.00 H new ATOM 0 HA ARG B 44 18.761 4.156 -19.676 1.00 0.00 H new ATOM 0 HB2 ARG B 44 19.585 6.468 -19.894 1.00 0.00 H new ATOM 0 HB3 ARG B 44 20.377 5.660 -18.555 1.00 0.00 H new ATOM 0 HG2 ARG B 44 22.075 5.001 -20.625 1.00 0.00 H new ATOM 0 HG3 ARG B 44 21.507 6.569 -21.163 1.00 0.00 H new ATOM 0 HD2 ARG B 44 22.593 6.141 -18.357 1.00 0.00 H new ATOM 0 HD3 ARG B 44 23.647 6.501 -19.710 1.00 0.00 H new ATOM 0 HE ARG B 44 21.529 8.429 -19.660 1.00 0.00 H new ATOM 0 HH11 ARG B 44 24.369 7.459 -17.774 1.00 0.00 H new ATOM 0 HH12 ARG B 44 24.678 9.099 -17.193 1.00 0.00 H new ATOM 0 HH21 ARG B 44 21.972 10.539 -18.930 1.00 0.00 H new ATOM 0 HH22 ARG B 44 23.334 10.827 -17.842 1.00 0.00 H new