USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1107 hydrogens (20 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 NoAdj-H: B 170 SEP H2 : B 170 SEP N : B 169 ASN C :(H bumps) USER MOD NoAdj-H: B 171 SEP H2 : B 171 SEP N : B 170 SEP C :(H bumps) USER MOD NoAdj-H: B 173 SEP H2 : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 173 SEP H : B 173 SEP N : B 172 GLY C :(H bumps) USER MOD NoAdj-H: B 174 SEP H2 : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 174 SEP H : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 77 GLN : amide:sc= -1.23 K(o=0.026,f=-2.6!) USER MOD Set 1.2: A 115 SER OG : rot 72:sc= 1.25 USER MOD Set 2.1: A 74 ASN : amide:sc= -0.0748 K(o=-0.48,f=-2.3!) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.406 F(o=-3.1,f=-0.48) USER MOD Set 3.1: A 60 MET CE :methyl 135:sc= -0.568 (180deg=-1.41) USER MOD Set 3.2: A 111 MET CE :methyl -179:sc= -0.288 (180deg=-0.289) USER MOD Set 4.1: A 38 TYR OH : rot 180:sc= 0.462 USER MOD Set 4.2: A 39 LYS NZ :NH3+ 137:sc= 0.497 (180deg=0) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 170:sc= 0.77 (180deg=0.0939) USER MOD Set 5.2: A 110 TYR OH : rot 50:sc= 0.514 USER MOD Set 6.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 6 THR OG1 : rot 103:sc= 0.809 USER MOD Set 6.3: A 9 GLN :FLIP amide:sc= -0.344 F(o=-0.17,f=0.47) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -129:sc= 0 (180deg=-1.33e-06) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 1.82 K(o=1.8,f=-0.25) USER MOD Single : A 26 GLN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.582 X(o=-0.58,f=-0.11) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -3.67! C(o=-3.7!,f=-3.7!) USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= -0.0166 (180deg=-0.369) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 138:sc= 1.63 (180deg=0.958) USER MOD Single : A 57 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-1.4) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.383 F(o=-1.7,f=-0.38) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.21 F(o=-2.9!,f=-0.21) USER MOD Single : A 84 ASN : amide:sc= 0.345 K(o=0.34,f=-0.34) USER MOD Single : A 86 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=-0.024) USER MOD Single : A 87 SER OG : rot 48:sc= 1.18 USER MOD Single : A 88 MET CE :methyl 168:sc= -0.0569 (180deg=-0.134) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=0.000825 USER MOD Single : A 93 THR OG1 : rot 91:sc= 0.419 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -26:sc= 1.25 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 169:sc= 0.809 USER MOD Single : A 116 GLN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : B 169 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 183 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.374 -27.444 2.627 1.00 50.11 N ATOM 2 CA GLY A 1 -5.034 -27.287 1.206 1.00 10.54 C ATOM 3 C GLY A 1 -5.960 -26.280 0.557 1.00 61.31 C ATOM 4 O GLY A 1 -6.997 -26.666 0.012 1.00 61.14 O ATOM 0 H1 GLY A 1 -4.733 -28.137 3.063 1.00 50.11 H new ATOM 0 H2 GLY A 1 -5.275 -26.529 3.111 1.00 50.11 H new ATOM 0 H3 GLY A 1 -6.355 -27.778 2.714 1.00 50.11 H new ATOM 0 HA2 GLY A 1 -4.000 -26.959 1.106 1.00 10.54 H new ATOM 0 HA3 GLY A 1 -5.114 -28.247 0.697 1.00 10.54 H new ATOM 8 N ALA A 2 -5.597 -25.002 0.634 1.00 10.55 N ATOM 9 CA ALA A 2 -6.309 -23.849 0.100 1.00 73.40 C ATOM 10 C ALA A 2 -5.309 -22.960 -0.647 1.00 5.53 C ATOM 11 O ALA A 2 -4.125 -23.298 -0.736 1.00 45.42 O ATOM 12 CB ALA A 2 -6.938 -23.089 1.275 1.00 30.12 C ATOM 0 H ALA A 2 -4.735 -24.728 1.106 1.00 10.55 H new ATOM 0 HA ALA A 2 -7.094 -24.154 -0.592 1.00 73.40 H new ATOM 0 HB1 ALA A 2 -7.478 -22.220 0.899 1.00 30.12 H new ATOM 0 HB2 ALA A 2 -7.630 -23.745 1.804 1.00 30.12 H new ATOM 0 HB3 ALA A 2 -6.154 -22.762 1.958 1.00 30.12 H new ATOM 18 N MET A 3 -5.790 -21.853 -1.212 1.00 72.22 N ATOM 19 CA MET A 3 -4.992 -20.876 -1.942 1.00 21.41 C ATOM 20 C MET A 3 -5.452 -19.482 -1.514 1.00 42.43 C ATOM 21 O MET A 3 -6.640 -19.259 -1.249 1.00 70.14 O ATOM 22 CB MET A 3 -5.093 -21.102 -3.458 1.00 61.03 C ATOM 23 CG MET A 3 -4.365 -22.396 -3.851 1.00 12.45 C ATOM 24 SD MET A 3 -4.325 -22.772 -5.620 1.00 34.14 S ATOM 25 CE MET A 3 -6.038 -23.296 -5.857 1.00 50.43 C ATOM 0 H MET A 3 -6.779 -21.606 -1.171 1.00 72.22 H new ATOM 0 HA MET A 3 -3.934 -20.985 -1.703 1.00 21.41 H new ATOM 0 HB2 MET A 3 -6.140 -21.161 -3.755 1.00 61.03 H new ATOM 0 HB3 MET A 3 -4.658 -20.256 -3.989 1.00 61.03 H new ATOM 0 HG2 MET A 3 -3.339 -22.338 -3.488 1.00 12.45 H new ATOM 0 HG3 MET A 3 -4.840 -23.229 -3.333 1.00 12.45 H new ATOM 0 HE1 MET A 3 -6.057 -24.259 -6.367 1.00 50.43 H new ATOM 0 HE2 MET A 3 -6.527 -23.389 -4.888 1.00 50.43 H new ATOM 0 HE3 MET A 3 -6.565 -22.556 -6.460 1.00 50.43 H new ATOM 35 N GLY A 4 -4.506 -18.545 -1.472 1.00 64.04 N ATOM 36 CA GLY A 4 -4.704 -17.164 -1.071 1.00 1.22 C ATOM 37 C GLY A 4 -5.429 -16.329 -2.112 1.00 32.11 C ATOM 38 O GLY A 4 -4.810 -15.886 -3.083 1.00 11.25 O ATOM 0 H GLY A 4 -3.539 -18.743 -1.729 1.00 64.04 H new ATOM 0 HA2 GLY A 4 -5.271 -17.142 -0.140 1.00 1.22 H new ATOM 0 HA3 GLY A 4 -3.734 -16.711 -0.865 1.00 1.22 H new ATOM 42 N LYS A 5 -6.739 -16.130 -1.934 1.00 53.20 N ATOM 43 CA LYS A 5 -7.545 -15.338 -2.856 1.00 50.52 C ATOM 44 C LYS A 5 -7.203 -13.867 -2.654 1.00 30.02 C ATOM 45 O LYS A 5 -7.643 -13.241 -1.685 1.00 11.53 O ATOM 46 CB LYS A 5 -9.031 -15.656 -2.677 1.00 63.42 C ATOM 47 CG LYS A 5 -9.906 -15.026 -3.771 1.00 44.11 C ATOM 48 CD LYS A 5 -9.708 -15.718 -5.124 1.00 65.33 C ATOM 49 CE LYS A 5 -10.591 -16.946 -5.318 1.00 23.25 C ATOM 50 NZ LYS A 5 -10.135 -17.729 -6.482 1.00 12.55 N ATOM 0 H LYS A 5 -7.265 -16.514 -1.149 1.00 53.20 H new ATOM 0 HA LYS A 5 -7.317 -15.590 -3.892 1.00 50.52 H new ATOM 0 HB2 LYS A 5 -9.171 -16.737 -2.683 1.00 63.42 H new ATOM 0 HB3 LYS A 5 -9.361 -15.297 -1.702 1.00 63.42 H new ATOM 0 HG2 LYS A 5 -10.954 -15.089 -3.480 1.00 44.11 H new ATOM 0 HG3 LYS A 5 -9.665 -13.967 -3.865 1.00 44.11 H new ATOM 0 HD2 LYS A 5 -9.914 -15.004 -5.921 1.00 65.33 H new ATOM 0 HD3 LYS A 5 -8.663 -16.013 -5.222 1.00 65.33 H new ATOM 0 HE2 LYS A 5 -10.565 -17.566 -4.422 1.00 23.25 H new ATOM 0 HE3 LYS A 5 -11.627 -16.638 -5.462 1.00 23.25 H new ATOM 0 HZ1 LYS A 5 -10.746 -18.562 -6.601 1.00 12.55 H new ATOM 0 HZ2 LYS A 5 -10.183 -17.139 -7.337 1.00 12.55 H new ATOM 0 HZ3 LYS A 5 -9.154 -18.039 -6.329 1.00 12.55 H new ATOM 64 N THR A 6 -6.445 -13.360 -3.612 1.00 53.34 N ATOM 65 CA THR A 6 -5.905 -12.016 -3.734 1.00 11.25 C ATOM 66 C THR A 6 -6.985 -10.934 -3.839 1.00 52.14 C ATOM 67 O THR A 6 -8.047 -11.173 -4.422 1.00 50.43 O ATOM 68 CB THR A 6 -4.982 -12.002 -4.974 1.00 30.43 C ATOM 69 OG1 THR A 6 -4.281 -13.229 -5.128 1.00 43.21 O ATOM 70 CG2 THR A 6 -3.923 -10.910 -4.875 1.00 65.10 C ATOM 0 H THR A 6 -6.164 -13.939 -4.404 1.00 53.34 H new ATOM 0 HA THR A 6 -5.352 -11.774 -2.826 1.00 11.25 H new ATOM 0 HB THR A 6 -5.643 -11.828 -5.823 1.00 30.43 H new ATOM 0 HG1 THR A 6 -4.701 -13.759 -5.837 1.00 43.21 H new ATOM 0 HG21 THR A 6 -3.294 -10.932 -5.765 1.00 65.10 H new ATOM 0 HG22 THR A 6 -4.409 -9.938 -4.798 1.00 65.10 H new ATOM 0 HG23 THR A 6 -3.308 -11.079 -3.991 1.00 65.10 H new ATOM 78 N PHE A 7 -6.683 -9.707 -3.390 1.00 22.21 N ATOM 79 CA PHE A 7 -7.608 -8.576 -3.443 1.00 2.42 C ATOM 80 C PHE A 7 -8.041 -8.325 -4.896 1.00 10.54 C ATOM 81 O PHE A 7 -9.229 -8.250 -5.190 1.00 54.14 O ATOM 82 CB PHE A 7 -7.015 -7.306 -2.788 1.00 4.40 C ATOM 83 CG PHE A 7 -6.268 -6.372 -3.713 1.00 52.42 C ATOM 84 CD1 PHE A 7 -4.914 -6.606 -4.012 1.00 33.04 C ATOM 85 CD2 PHE A 7 -6.947 -5.292 -4.310 1.00 65.41 C ATOM 86 CE1 PHE A 7 -4.233 -5.743 -4.883 1.00 65.25 C ATOM 87 CE2 PHE A 7 -6.265 -4.434 -5.184 1.00 11.54 C ATOM 88 CZ PHE A 7 -4.908 -4.657 -5.465 1.00 21.02 C ATOM 0 H PHE A 7 -5.780 -9.474 -2.977 1.00 22.21 H new ATOM 0 HA PHE A 7 -8.492 -8.830 -2.858 1.00 2.42 H new ATOM 0 HB2 PHE A 7 -7.827 -6.750 -2.320 1.00 4.40 H new ATOM 0 HB3 PHE A 7 -6.339 -7.614 -1.991 1.00 4.40 H new ATOM 0 HD1 PHE A 7 -4.400 -7.448 -3.572 1.00 33.04 H new ATOM 0 HD2 PHE A 7 -7.992 -5.125 -4.095 1.00 65.41 H new ATOM 0 HE1 PHE A 7 -3.190 -5.913 -5.106 1.00 65.25 H new ATOM 0 HE2 PHE A 7 -6.783 -3.603 -5.640 1.00 11.54 H new ATOM 0 HZ PHE A 7 -4.380 -3.991 -6.132 1.00 21.02 H new ATOM 98 N LYS A 8 -7.095 -8.294 -5.843 1.00 14.42 N ATOM 99 CA LYS A 8 -7.394 -8.056 -7.255 1.00 45.52 C ATOM 100 C LYS A 8 -8.276 -9.160 -7.844 1.00 74.34 C ATOM 101 O LYS A 8 -9.012 -8.928 -8.803 1.00 53.24 O ATOM 102 CB LYS A 8 -6.072 -7.869 -8.017 1.00 12.23 C ATOM 103 CG LYS A 8 -6.219 -6.910 -9.204 1.00 22.33 C ATOM 104 CD LYS A 8 -4.842 -6.560 -9.768 1.00 72.13 C ATOM 105 CE LYS A 8 -4.928 -5.543 -10.909 1.00 10.03 C ATOM 106 NZ LYS A 8 -3.623 -4.894 -11.124 1.00 5.41 N ATOM 0 H LYS A 8 -6.103 -8.433 -5.649 1.00 14.42 H new ATOM 0 HA LYS A 8 -7.979 -7.142 -7.357 1.00 45.52 H new ATOM 0 HB2 LYS A 8 -5.312 -7.487 -7.335 1.00 12.23 H new ATOM 0 HB3 LYS A 8 -5.721 -8.837 -8.375 1.00 12.23 H new ATOM 0 HG2 LYS A 8 -6.832 -7.369 -9.979 1.00 22.33 H new ATOM 0 HG3 LYS A 8 -6.733 -6.002 -8.887 1.00 22.33 H new ATOM 0 HD2 LYS A 8 -4.216 -6.158 -8.971 1.00 72.13 H new ATOM 0 HD3 LYS A 8 -4.357 -7.467 -10.128 1.00 72.13 H new ATOM 0 HE2 LYS A 8 -5.248 -6.041 -11.824 1.00 10.03 H new ATOM 0 HE3 LYS A 8 -5.681 -4.790 -10.676 1.00 10.03 H new ATOM 0 HZ1 LYS A 8 -3.653 -4.337 -12.002 1.00 5.41 H new ATOM 0 HZ2 LYS A 8 -3.411 -4.266 -10.323 1.00 5.41 H new ATOM 0 HZ3 LYS A 8 -2.882 -5.620 -11.199 1.00 5.41 H new ATOM 120 N GLN A 9 -8.217 -10.378 -7.294 1.00 21.13 N ATOM 121 CA GLN A 9 -9.048 -11.475 -7.766 1.00 31.32 C ATOM 122 C GLN A 9 -10.471 -11.259 -7.246 1.00 21.01 C ATOM 123 O GLN A 9 -11.392 -11.243 -8.057 1.00 50.35 O ATOM 124 CB GLN A 9 -8.514 -12.832 -7.298 1.00 4.31 C ATOM 125 CG GLN A 9 -7.335 -13.324 -8.141 1.00 1.24 C ATOM 126 CD GLN A 9 -6.822 -14.642 -7.573 1.00 10.24 C ATOM 127 OE1 GLN A 9 -5.542 -14.722 -7.271 1.00 22.05 O flip ATOM 128 NE2 GLN A 9 -7.575 -15.580 -7.347 1.00 72.30 N flip ATOM 0 H GLN A 9 -7.599 -10.622 -6.520 1.00 21.13 H new ATOM 0 HA GLN A 9 -9.037 -11.485 -8.856 1.00 31.32 H new ATOM 0 HB2 GLN A 9 -8.204 -12.756 -6.256 1.00 4.31 H new ATOM 0 HB3 GLN A 9 -9.317 -13.568 -7.339 1.00 4.31 H new ATOM 0 HG2 GLN A 9 -7.645 -13.458 -9.177 1.00 1.24 H new ATOM 0 HG3 GLN A 9 -6.538 -12.580 -8.141 1.00 1.24 H new ATOM 0 HE21 GLN A 9 -8.564 -15.508 -7.584 1.00 72.30 H new ATOM 0 HE22 GLN A 9 -7.213 -16.433 -6.921 1.00 72.30 H new ATOM 137 N ARG A 10 -10.657 -10.972 -5.948 1.00 51.51 N ATOM 138 CA ARG A 10 -11.998 -10.764 -5.368 1.00 3.50 C ATOM 139 C ARG A 10 -12.645 -9.410 -5.698 1.00 3.11 C ATOM 140 O ARG A 10 -13.822 -9.229 -5.402 1.00 12.54 O ATOM 141 CB ARG A 10 -11.972 -10.973 -3.837 1.00 70.04 C ATOM 142 CG ARG A 10 -11.135 -9.922 -3.082 1.00 24.42 C ATOM 143 CD ARG A 10 -11.798 -9.333 -1.831 1.00 72.12 C ATOM 144 NE ARG A 10 -11.677 -10.248 -0.696 1.00 31.41 N ATOM 145 CZ ARG A 10 -11.921 -9.985 0.589 1.00 41.12 C ATOM 146 NH1 ARG A 10 -12.260 -8.765 0.980 1.00 11.40 N ATOM 147 NH2 ARG A 10 -11.793 -10.957 1.481 1.00 70.41 N ATOM 0 H ARG A 10 -9.895 -10.878 -5.277 1.00 51.51 H new ATOM 0 HA ARG A 10 -12.626 -11.517 -5.845 1.00 3.50 H new ATOM 0 HB2 ARG A 10 -12.994 -10.950 -3.459 1.00 70.04 H new ATOM 0 HB3 ARG A 10 -11.574 -11.965 -3.621 1.00 70.04 H new ATOM 0 HG2 ARG A 10 -10.188 -10.376 -2.792 1.00 24.42 H new ATOM 0 HG3 ARG A 10 -10.901 -9.107 -3.767 1.00 24.42 H new ATOM 0 HD2 ARG A 10 -11.334 -8.378 -1.584 1.00 72.12 H new ATOM 0 HD3 ARG A 10 -12.851 -9.134 -2.032 1.00 72.12 H new ATOM 0 HE ARG A 10 -11.371 -11.197 -0.912 1.00 31.41 H new ATOM 0 HH11 ARG A 10 -12.337 -8.013 0.295 1.00 11.40 H new ATOM 0 HH12 ARG A 10 -12.444 -8.578 1.966 1.00 11.40 H new ATOM 0 HH21 ARG A 10 -11.511 -11.890 1.181 1.00 70.41 H new ATOM 0 HH22 ARG A 10 -11.976 -10.772 2.467 1.00 70.41 H new ATOM 161 N ARG A 11 -11.912 -8.462 -6.290 1.00 34.01 N ATOM 162 CA ARG A 11 -12.408 -7.138 -6.654 1.00 30.10 C ATOM 163 C ARG A 11 -12.166 -6.961 -8.149 1.00 54.34 C ATOM 164 O ARG A 11 -11.008 -6.841 -8.567 1.00 11.12 O ATOM 165 CB ARG A 11 -11.700 -6.035 -5.823 1.00 10.20 C ATOM 166 CG ARG A 11 -11.869 -6.115 -4.289 1.00 5.22 C ATOM 167 CD ARG A 11 -13.282 -5.756 -3.832 1.00 1.44 C ATOM 168 NE ARG A 11 -13.558 -6.056 -2.420 1.00 45.31 N ATOM 169 CZ ARG A 11 -14.793 -6.128 -1.903 1.00 34.11 C ATOM 170 NH1 ARG A 11 -15.874 -5.981 -2.655 1.00 54.45 N ATOM 171 NH2 ARG A 11 -14.952 -6.374 -0.611 1.00 61.24 N ATOM 0 H ARG A 11 -10.932 -8.601 -6.534 1.00 34.01 H new ATOM 0 HA ARG A 11 -13.472 -7.049 -6.436 1.00 30.10 H new ATOM 0 HB2 ARG A 11 -10.635 -6.066 -6.051 1.00 10.20 H new ATOM 0 HB3 ARG A 11 -12.069 -5.065 -6.157 1.00 10.20 H new ATOM 0 HG2 ARG A 11 -11.628 -7.124 -3.953 1.00 5.22 H new ATOM 0 HG3 ARG A 11 -11.156 -5.442 -3.813 1.00 5.22 H new ATOM 0 HD2 ARG A 11 -13.447 -4.692 -4.004 1.00 1.44 H new ATOM 0 HD3 ARG A 11 -13.999 -6.294 -4.452 1.00 1.44 H new ATOM 0 HE ARG A 11 -12.766 -6.219 -1.799 1.00 45.31 H new ATOM 0 HH11 ARG A 11 -15.779 -5.808 -3.656 1.00 54.45 H new ATOM 0 HH12 ARG A 11 -16.801 -6.041 -2.233 1.00 54.45 H new ATOM 0 HH21 ARG A 11 -14.136 -6.508 -0.013 1.00 61.24 H new ATOM 0 HH22 ARG A 11 -15.890 -6.429 -0.214 1.00 61.24 H new ATOM 185 N THR A 12 -13.212 -7.002 -8.976 1.00 3.22 N ATOM 186 CA THR A 12 -13.088 -6.813 -10.421 1.00 11.21 C ATOM 187 C THR A 12 -12.591 -5.382 -10.697 1.00 70.22 C ATOM 188 O THR A 12 -12.543 -4.555 -9.788 1.00 72.45 O ATOM 189 CB THR A 12 -14.423 -7.133 -11.125 1.00 45.21 C ATOM 190 OG1 THR A 12 -14.199 -7.188 -12.523 1.00 25.20 O ATOM 191 CG2 THR A 12 -15.542 -6.126 -10.836 1.00 50.24 C ATOM 0 H THR A 12 -14.168 -7.167 -8.662 1.00 3.22 H new ATOM 0 HA THR A 12 -12.355 -7.506 -10.833 1.00 11.21 H new ATOM 0 HB THR A 12 -14.763 -8.090 -10.729 1.00 45.21 H new ATOM 0 HG1 THR A 12 -15.041 -7.393 -12.981 1.00 25.20 H new ATOM 0 HG21 THR A 12 -16.446 -6.423 -11.368 1.00 50.24 H new ATOM 0 HG22 THR A 12 -15.743 -6.103 -9.765 1.00 50.24 H new ATOM 0 HG23 THR A 12 -15.234 -5.135 -11.169 1.00 50.24 H new ATOM 199 N PHE A 13 -12.218 -5.069 -11.941 1.00 24.14 N ATOM 200 CA PHE A 13 -11.736 -3.749 -12.348 1.00 41.41 C ATOM 201 C PHE A 13 -12.662 -2.634 -11.847 1.00 22.11 C ATOM 202 O PHE A 13 -12.216 -1.702 -11.186 1.00 31.20 O ATOM 203 CB PHE A 13 -11.609 -3.697 -13.876 1.00 44.03 C ATOM 204 CG PHE A 13 -11.157 -2.342 -14.389 1.00 24.23 C ATOM 205 CD1 PHE A 13 -12.089 -1.300 -14.591 1.00 24.21 C ATOM 206 CD2 PHE A 13 -9.795 -2.114 -14.656 1.00 4.31 C ATOM 207 CE1 PHE A 13 -11.653 -0.030 -15.004 1.00 74.14 C ATOM 208 CE2 PHE A 13 -9.374 -0.857 -15.109 1.00 53.35 C ATOM 209 CZ PHE A 13 -10.290 0.198 -15.246 1.00 12.42 C ATOM 0 H PHE A 13 -12.244 -5.741 -12.708 1.00 24.14 H new ATOM 0 HA PHE A 13 -10.757 -3.586 -11.898 1.00 41.41 H new ATOM 0 HB2 PHE A 13 -10.900 -4.458 -14.202 1.00 44.03 H new ATOM 0 HB3 PHE A 13 -12.571 -3.946 -14.323 1.00 44.03 H new ATOM 0 HD1 PHE A 13 -13.141 -1.480 -14.427 1.00 24.21 H new ATOM 0 HD2 PHE A 13 -9.075 -2.906 -14.512 1.00 4.31 H new ATOM 0 HE1 PHE A 13 -12.366 0.770 -15.135 1.00 74.14 H new ATOM 0 HE2 PHE A 13 -8.335 -0.698 -15.355 1.00 53.35 H new ATOM 0 HZ PHE A 13 -9.947 1.180 -15.536 1.00 12.42 H new ATOM 219 N GLU A 14 -13.961 -2.766 -12.113 1.00 52.04 N ATOM 220 CA GLU A 14 -14.989 -1.802 -11.725 1.00 14.30 C ATOM 221 C GLU A 14 -14.997 -1.615 -10.207 1.00 61.14 C ATOM 222 O GLU A 14 -15.183 -0.516 -9.688 1.00 54.22 O ATOM 223 CB GLU A 14 -16.354 -2.306 -12.211 1.00 70.53 C ATOM 224 CG GLU A 14 -16.397 -2.492 -13.735 1.00 74.54 C ATOM 225 CD GLU A 14 -17.663 -3.222 -14.181 1.00 70.45 C ATOM 226 OE1 GLU A 14 -17.733 -4.462 -14.003 1.00 24.12 O ATOM 227 OE2 GLU A 14 -18.531 -2.556 -14.795 1.00 33.11 O ATOM 0 H GLU A 14 -14.337 -3.568 -12.618 1.00 52.04 H new ATOM 0 HA GLU A 14 -14.775 -0.836 -12.183 1.00 14.30 H new ATOM 0 HB2 GLU A 14 -16.583 -3.254 -11.725 1.00 70.53 H new ATOM 0 HB3 GLU A 14 -17.128 -1.599 -11.911 1.00 70.53 H new ATOM 0 HG2 GLU A 14 -16.348 -1.518 -14.222 1.00 74.54 H new ATOM 0 HG3 GLU A 14 -15.520 -3.054 -14.058 1.00 74.54 H new ATOM 234 N GLN A 15 -14.811 -2.708 -9.467 1.00 21.23 N ATOM 235 CA GLN A 15 -14.779 -2.654 -8.018 1.00 70.52 C ATOM 236 C GLN A 15 -13.478 -2.001 -7.543 1.00 12.32 C ATOM 237 O GLN A 15 -13.470 -1.384 -6.489 1.00 12.43 O ATOM 238 CB GLN A 15 -14.960 -4.057 -7.424 1.00 52.34 C ATOM 239 CG GLN A 15 -15.174 -4.000 -5.908 1.00 44.31 C ATOM 240 CD GLN A 15 -16.366 -3.146 -5.502 1.00 50.31 C ATOM 241 OE1 GLN A 15 -17.474 -3.397 -5.965 1.00 22.42 O ATOM 242 NE2 GLN A 15 -16.184 -2.164 -4.649 1.00 10.53 N ATOM 0 H GLN A 15 -14.680 -3.642 -9.856 1.00 21.23 H new ATOM 0 HA GLN A 15 -15.608 -2.040 -7.666 1.00 70.52 H new ATOM 0 HB2 GLN A 15 -15.813 -4.546 -7.895 1.00 52.34 H new ATOM 0 HB3 GLN A 15 -14.082 -4.664 -7.646 1.00 52.34 H new ATOM 0 HG2 GLN A 15 -15.315 -5.012 -5.529 1.00 44.31 H new ATOM 0 HG3 GLN A 15 -14.275 -3.605 -5.435 1.00 44.31 H new ATOM 0 HE21 GLN A 15 -15.252 -1.976 -4.279 1.00 10.53 H new ATOM 0 HE22 GLN A 15 -16.974 -1.589 -4.357 1.00 10.53 H new ATOM 251 N ARG A 16 -12.359 -2.130 -8.263 1.00 22.53 N ATOM 252 CA ARG A 16 -11.102 -1.511 -7.851 1.00 44.33 C ATOM 253 C ARG A 16 -11.248 0.003 -7.954 1.00 45.52 C ATOM 254 O ARG A 16 -10.901 0.688 -6.995 1.00 11.23 O ATOM 255 CB ARG A 16 -9.930 -1.986 -8.716 1.00 45.45 C ATOM 256 CG ARG A 16 -9.567 -3.462 -8.525 1.00 74.41 C ATOM 257 CD ARG A 16 -8.717 -3.978 -9.696 1.00 70.12 C ATOM 258 NE ARG A 16 -9.073 -5.363 -10.012 1.00 43.13 N ATOM 259 CZ ARG A 16 -8.964 -5.974 -11.194 1.00 1.31 C ATOM 260 NH1 ARG A 16 -8.308 -5.447 -12.224 1.00 64.24 N ATOM 261 NH2 ARG A 16 -9.543 -7.156 -11.320 1.00 4.14 N ATOM 0 H ARG A 16 -12.301 -2.658 -9.134 1.00 22.53 H new ATOM 0 HA ARG A 16 -10.887 -1.803 -6.823 1.00 44.33 H new ATOM 0 HB2 ARG A 16 -10.175 -1.816 -9.765 1.00 45.45 H new ATOM 0 HB3 ARG A 16 -9.055 -1.376 -8.490 1.00 45.45 H new ATOM 0 HG2 ARG A 16 -9.019 -3.587 -7.591 1.00 74.41 H new ATOM 0 HG3 ARG A 16 -10.477 -4.056 -8.443 1.00 74.41 H new ATOM 0 HD2 ARG A 16 -8.871 -3.347 -10.571 1.00 70.12 H new ATOM 0 HD3 ARG A 16 -7.659 -3.917 -9.441 1.00 70.12 H new ATOM 0 HE ARG A 16 -9.445 -5.922 -9.245 1.00 43.13 H new ATOM 0 HH11 ARG A 16 -7.860 -4.536 -12.131 1.00 64.24 H new ATOM 0 HH12 ARG A 16 -8.253 -5.954 -13.107 1.00 64.24 H new ATOM 0 HH21 ARG A 16 -10.047 -7.564 -10.532 1.00 4.14 H new ATOM 0 HH22 ARG A 16 -9.486 -7.660 -12.205 1.00 4.14 H new ATOM 275 N VAL A 17 -11.743 0.507 -9.087 1.00 45.15 N ATOM 276 CA VAL A 17 -11.941 1.939 -9.303 1.00 54.32 C ATOM 277 C VAL A 17 -12.902 2.467 -8.227 1.00 13.44 C ATOM 278 O VAL A 17 -12.660 3.522 -7.633 1.00 1.30 O ATOM 279 CB VAL A 17 -12.425 2.198 -10.746 1.00 1.33 C ATOM 280 CG1 VAL A 17 -12.646 3.696 -11.000 1.00 53.24 C ATOM 281 CG2 VAL A 17 -11.386 1.700 -11.766 1.00 61.55 C ATOM 0 H VAL A 17 -12.018 -0.070 -9.882 1.00 45.15 H new ATOM 0 HA VAL A 17 -11.003 2.485 -9.202 1.00 54.32 H new ATOM 0 HB VAL A 17 -13.365 1.659 -10.864 1.00 1.33 H new ATOM 0 HG11 VAL A 17 -12.986 3.845 -12.025 1.00 53.24 H new ATOM 0 HG12 VAL A 17 -13.399 4.075 -10.309 1.00 53.24 H new ATOM 0 HG13 VAL A 17 -11.710 4.233 -10.847 1.00 53.24 H new ATOM 0 HG21 VAL A 17 -11.747 1.892 -12.776 1.00 61.55 H new ATOM 0 HG22 VAL A 17 -10.444 2.225 -11.611 1.00 61.55 H new ATOM 0 HG23 VAL A 17 -11.231 0.629 -11.634 1.00 61.55 H new ATOM 291 N GLU A 18 -13.949 1.700 -7.911 1.00 1.00 N ATOM 292 CA GLU A 18 -14.920 2.074 -6.900 1.00 1.20 C ATOM 293 C GLU A 18 -14.270 2.050 -5.518 1.00 12.21 C ATOM 294 O GLU A 18 -14.425 2.996 -4.764 1.00 22.03 O ATOM 295 CB GLU A 18 -16.107 1.118 -6.948 1.00 51.34 C ATOM 296 CG GLU A 18 -17.231 1.518 -5.982 1.00 23.41 C ATOM 297 CD GLU A 18 -18.175 0.336 -5.805 1.00 42.15 C ATOM 298 OE1 GLU A 18 -18.798 -0.059 -6.817 1.00 14.51 O ATOM 299 OE2 GLU A 18 -18.200 -0.253 -4.698 1.00 2.41 O ATOM 0 H GLU A 18 -14.140 0.802 -8.355 1.00 1.00 H new ATOM 0 HA GLU A 18 -15.275 3.085 -7.098 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -16.501 1.086 -7.964 1.00 51.34 H new ATOM 0 HB3 GLU A 18 -15.767 0.111 -6.706 1.00 51.34 H new ATOM 0 HG2 GLU A 18 -16.813 1.814 -5.020 1.00 23.41 H new ATOM 0 HG3 GLU A 18 -17.774 2.379 -6.372 1.00 23.41 H new ATOM 306 N ASP A 19 -13.488 1.028 -5.179 1.00 34.11 N ATOM 307 CA ASP A 19 -12.855 0.930 -3.868 1.00 45.54 C ATOM 308 C ASP A 19 -11.958 2.135 -3.615 1.00 65.05 C ATOM 309 O ASP A 19 -11.961 2.723 -2.529 1.00 62.43 O ATOM 310 CB ASP A 19 -11.931 -0.312 -3.744 1.00 50.34 C ATOM 311 CG ASP A 19 -12.532 -1.713 -3.609 1.00 2.14 C ATOM 312 OD1 ASP A 19 -13.725 -1.876 -3.281 1.00 45.42 O ATOM 313 OD2 ASP A 19 -11.735 -2.674 -3.780 1.00 65.44 O ATOM 0 H ASP A 19 -13.277 0.249 -5.802 1.00 34.11 H new ATOM 0 HA ASP A 19 -13.676 0.866 -3.154 1.00 45.54 H new ATOM 0 HB2 ASP A 19 -11.285 -0.322 -4.622 1.00 50.34 H new ATOM 0 HB3 ASP A 19 -11.290 -0.151 -2.877 1.00 50.34 H new ATOM 318 N VAL A 20 -11.153 2.488 -4.618 1.00 63.42 N ATOM 319 CA VAL A 20 -10.237 3.596 -4.483 1.00 13.23 C ATOM 320 C VAL A 20 -10.985 4.921 -4.357 1.00 64.24 C ATOM 321 O VAL A 20 -10.709 5.674 -3.422 1.00 70.42 O ATOM 322 CB VAL A 20 -9.151 3.525 -5.571 1.00 74.14 C ATOM 323 CG1 VAL A 20 -9.559 3.878 -6.986 1.00 62.12 C ATOM 324 CG2 VAL A 20 -7.967 4.380 -5.180 1.00 73.32 C ATOM 0 H VAL A 20 -11.124 2.019 -5.523 1.00 63.42 H new ATOM 0 HA VAL A 20 -9.689 3.525 -3.543 1.00 13.23 H new ATOM 0 HB VAL A 20 -8.910 2.463 -5.610 1.00 74.14 H new ATOM 0 HG11 VAL A 20 -8.697 3.785 -7.647 1.00 62.12 H new ATOM 0 HG12 VAL A 20 -10.345 3.200 -7.318 1.00 62.12 H new ATOM 0 HG13 VAL A 20 -9.929 4.903 -7.013 1.00 62.12 H new ATOM 0 HG21 VAL A 20 -7.204 4.323 -5.957 1.00 73.32 H new ATOM 0 HG22 VAL A 20 -8.288 5.415 -5.063 1.00 73.32 H new ATOM 0 HG23 VAL A 20 -7.553 4.020 -4.238 1.00 73.32 H new ATOM 334 N ARG A 21 -11.923 5.232 -5.258 1.00 63.03 N ATOM 335 CA ARG A 21 -12.658 6.496 -5.188 1.00 12.12 C ATOM 336 C ARG A 21 -13.514 6.574 -3.919 1.00 45.43 C ATOM 337 O ARG A 21 -13.599 7.644 -3.328 1.00 43.45 O ATOM 338 CB ARG A 21 -13.450 6.723 -6.487 1.00 42.35 C ATOM 339 CG ARG A 21 -14.638 5.767 -6.644 1.00 10.21 C ATOM 340 CD ARG A 21 -15.960 6.399 -6.206 1.00 11.54 C ATOM 341 NE ARG A 21 -16.614 7.045 -7.356 1.00 12.13 N ATOM 342 CZ ARG A 21 -17.658 6.550 -8.027 1.00 43.24 C ATOM 343 NH1 ARG A 21 -18.407 5.580 -7.510 1.00 23.24 N ATOM 344 NH2 ARG A 21 -17.927 7.026 -9.234 1.00 70.24 N ATOM 0 H ARG A 21 -12.189 4.630 -6.038 1.00 63.03 H new ATOM 0 HA ARG A 21 -11.950 7.321 -5.108 1.00 12.12 H new ATOM 0 HB2 ARG A 21 -13.813 7.750 -6.509 1.00 42.35 H new ATOM 0 HB3 ARG A 21 -12.781 6.603 -7.339 1.00 42.35 H new ATOM 0 HG2 ARG A 21 -14.715 5.456 -7.686 1.00 10.21 H new ATOM 0 HG3 ARG A 21 -14.457 4.867 -6.056 1.00 10.21 H new ATOM 0 HD2 ARG A 21 -16.616 5.636 -5.785 1.00 11.54 H new ATOM 0 HD3 ARG A 21 -15.779 7.133 -5.420 1.00 11.54 H new ATOM 0 HE ARG A 21 -16.240 7.942 -7.665 1.00 12.13 H new ATOM 0 HH11 ARG A 21 -18.188 5.203 -6.588 1.00 23.24 H new ATOM 0 HH12 ARG A 21 -19.201 5.213 -8.036 1.00 23.24 H new ATOM 0 HH21 ARG A 21 -17.341 7.758 -9.636 1.00 70.24 H new ATOM 0 HH22 ARG A 21 -18.720 6.660 -9.761 1.00 70.24 H new ATOM 358 N LEU A 22 -14.106 5.462 -3.472 1.00 53.52 N ATOM 359 CA LEU A 22 -14.941 5.358 -2.275 1.00 5.54 C ATOM 360 C LEU A 22 -14.106 5.844 -1.095 1.00 50.42 C ATOM 361 O LEU A 22 -14.512 6.751 -0.354 1.00 64.11 O ATOM 362 CB LEU A 22 -15.408 3.889 -2.140 1.00 24.31 C ATOM 363 CG LEU A 22 -16.255 3.443 -0.939 1.00 22.43 C ATOM 364 CD1 LEU A 22 -15.468 3.380 0.375 1.00 61.01 C ATOM 365 CD2 LEU A 22 -17.516 4.293 -0.815 1.00 54.23 C ATOM 0 H LEU A 22 -14.011 4.570 -3.958 1.00 53.52 H new ATOM 0 HA LEU A 22 -15.839 5.974 -2.322 1.00 5.54 H new ATOM 0 HB2 LEU A 22 -15.975 3.649 -3.039 1.00 24.31 H new ATOM 0 HB3 LEU A 22 -14.514 3.266 -2.151 1.00 24.31 H new ATOM 0 HG LEU A 22 -16.559 2.415 -1.138 1.00 22.43 H new ATOM 0 HD11 LEU A 22 -16.129 3.058 1.180 1.00 61.01 H new ATOM 0 HD12 LEU A 22 -14.647 2.670 0.274 1.00 61.01 H new ATOM 0 HD13 LEU A 22 -15.068 4.367 0.607 1.00 61.01 H new ATOM 0 HD21 LEU A 22 -18.098 3.957 0.043 1.00 54.23 H new ATOM 0 HD22 LEU A 22 -17.238 5.338 -0.678 1.00 54.23 H new ATOM 0 HD23 LEU A 22 -18.113 4.192 -1.721 1.00 54.23 H new ATOM 377 N ILE A 23 -12.906 5.273 -0.949 1.00 10.12 N ATOM 378 CA ILE A 23 -12.008 5.655 0.128 1.00 42.15 C ATOM 379 C ILE A 23 -11.573 7.113 -0.034 1.00 13.22 C ATOM 380 O ILE A 23 -11.532 7.836 0.955 1.00 21.23 O ATOM 381 CB ILE A 23 -10.844 4.643 0.235 1.00 30.01 C ATOM 382 CG1 ILE A 23 -10.812 4.015 1.641 1.00 42.35 C ATOM 383 CG2 ILE A 23 -9.456 5.166 -0.181 1.00 74.42 C ATOM 384 CD1 ILE A 23 -10.661 4.987 2.800 1.00 23.13 C ATOM 0 H ILE A 23 -12.541 4.547 -1.565 1.00 10.12 H new ATOM 0 HA ILE A 23 -12.525 5.611 1.087 1.00 42.15 H new ATOM 0 HB ILE A 23 -11.064 3.880 -0.512 1.00 30.01 H new ATOM 0 HG12 ILE A 23 -11.732 3.448 1.785 1.00 42.35 H new ATOM 0 HG13 ILE A 23 -9.988 3.302 1.681 1.00 42.35 H new ATOM 0 HG21 ILE A 23 -8.718 4.372 -0.065 1.00 74.42 H new ATOM 0 HG22 ILE A 23 -9.485 5.485 -1.223 1.00 74.42 H new ATOM 0 HG23 ILE A 23 -9.181 6.011 0.450 1.00 74.42 H new ATOM 0 HD11 ILE A 23 -10.651 4.434 3.739 1.00 23.13 H new ATOM 0 HD12 ILE A 23 -9.727 5.538 2.693 1.00 23.13 H new ATOM 0 HD13 ILE A 23 -11.497 5.686 2.800 1.00 23.13 H new ATOM 396 N ARG A 24 -11.279 7.573 -1.258 1.00 1.20 N ATOM 397 CA ARG A 24 -10.867 8.960 -1.502 1.00 53.54 C ATOM 398 C ARG A 24 -11.991 9.933 -1.137 1.00 4.44 C ATOM 399 O ARG A 24 -11.707 11.093 -0.845 1.00 62.45 O ATOM 400 CB ARG A 24 -10.470 9.174 -2.976 1.00 33.02 C ATOM 401 CG ARG A 24 -9.293 8.318 -3.482 1.00 65.34 C ATOM 402 CD ARG A 24 -8.060 9.139 -3.857 1.00 5.33 C ATOM 403 NE ARG A 24 -7.460 9.755 -2.663 1.00 24.00 N ATOM 404 CZ ARG A 24 -7.261 11.060 -2.447 1.00 4.13 C ATOM 405 NH1 ARG A 24 -7.536 11.973 -3.368 1.00 44.22 N ATOM 406 NH2 ARG A 24 -6.814 11.448 -1.265 1.00 32.34 N ATOM 0 H ARG A 24 -11.320 6.999 -2.100 1.00 1.20 H new ATOM 0 HA ARG A 24 -10.000 9.155 -0.871 1.00 53.54 H new ATOM 0 HB2 ARG A 24 -11.339 8.969 -3.601 1.00 33.02 H new ATOM 0 HB3 ARG A 24 -10.218 10.225 -3.116 1.00 33.02 H new ATOM 0 HG2 ARG A 24 -9.020 7.598 -2.711 1.00 65.34 H new ATOM 0 HG3 ARG A 24 -9.617 7.746 -4.351 1.00 65.34 H new ATOM 0 HD2 ARG A 24 -7.327 8.499 -4.349 1.00 5.33 H new ATOM 0 HD3 ARG A 24 -8.337 9.914 -4.571 1.00 5.33 H new ATOM 0 HE ARG A 24 -7.165 9.120 -1.922 1.00 24.00 H new ATOM 0 HH11 ARG A 24 -7.911 11.688 -4.273 1.00 44.22 H new ATOM 0 HH12 ARG A 24 -7.373 12.961 -3.172 1.00 44.22 H new ATOM 0 HH21 ARG A 24 -6.628 10.757 -0.538 1.00 32.34 H new ATOM 0 HH22 ARG A 24 -6.656 12.438 -1.080 1.00 32.34 H new ATOM 420 N GLU A 25 -13.244 9.480 -1.137 1.00 5.30 N ATOM 421 CA GLU A 25 -14.413 10.275 -0.814 1.00 70.31 C ATOM 422 C GLU A 25 -14.535 10.434 0.705 1.00 53.12 C ATOM 423 O GLU A 25 -14.624 11.557 1.203 1.00 41.11 O ATOM 424 CB GLU A 25 -15.652 9.598 -1.435 1.00 31.10 C ATOM 425 CG GLU A 25 -16.875 10.508 -1.526 1.00 62.02 C ATOM 426 CD GLU A 25 -16.581 11.692 -2.442 1.00 1.12 C ATOM 427 OE1 GLU A 25 -16.381 11.508 -3.664 1.00 25.34 O ATOM 428 OE2 GLU A 25 -16.411 12.819 -1.936 1.00 13.44 O ATOM 0 H GLU A 25 -13.474 8.514 -1.371 1.00 5.30 H new ATOM 0 HA GLU A 25 -14.326 11.279 -1.230 1.00 70.31 H new ATOM 0 HB2 GLU A 25 -15.398 9.246 -2.435 1.00 31.10 H new ATOM 0 HB3 GLU A 25 -15.909 8.719 -0.843 1.00 31.10 H new ATOM 0 HG2 GLU A 25 -17.728 9.947 -1.907 1.00 62.02 H new ATOM 0 HG3 GLU A 25 -17.147 10.865 -0.533 1.00 62.02 H new ATOM 435 N GLN A 26 -14.544 9.326 1.462 1.00 45.33 N ATOM 436 CA GLN A 26 -14.664 9.413 2.927 1.00 12.34 C ATOM 437 C GLN A 26 -13.371 9.898 3.578 1.00 63.04 C ATOM 438 O GLN A 26 -13.415 10.569 4.610 1.00 41.31 O ATOM 439 CB GLN A 26 -15.139 8.094 3.563 1.00 25.32 C ATOM 440 CG GLN A 26 -14.287 6.857 3.235 1.00 70.23 C ATOM 441 CD GLN A 26 -14.998 5.542 3.574 1.00 71.13 C ATOM 442 OE1 GLN A 26 -14.510 4.729 4.354 1.00 4.22 O ATOM 443 NE2 GLN A 26 -16.160 5.295 2.996 1.00 72.13 N ATOM 0 H GLN A 26 -14.471 8.377 1.095 1.00 45.33 H new ATOM 0 HA GLN A 26 -15.436 10.158 3.120 1.00 12.34 H new ATOM 0 HB2 GLN A 26 -15.163 8.221 4.645 1.00 25.32 H new ATOM 0 HB3 GLN A 26 -16.163 7.904 3.242 1.00 25.32 H new ATOM 0 HG2 GLN A 26 -14.034 6.866 2.175 1.00 70.23 H new ATOM 0 HG3 GLN A 26 -13.349 6.911 3.787 1.00 70.23 H new ATOM 0 HE21 GLN A 26 -16.562 5.973 2.349 1.00 72.13 H new ATOM 0 HE22 GLN A 26 -16.655 4.426 3.197 1.00 72.13 H new ATOM 452 N HIS A 27 -12.220 9.609 2.970 1.00 63.41 N ATOM 453 CA HIS A 27 -10.909 9.991 3.460 1.00 61.32 C ATOM 454 C HIS A 27 -10.082 10.657 2.351 1.00 2.33 C ATOM 455 O HIS A 27 -9.099 10.086 1.876 1.00 45.53 O ATOM 456 CB HIS A 27 -10.234 8.777 4.115 1.00 10.23 C ATOM 457 CG HIS A 27 -10.953 8.331 5.367 1.00 71.33 C ATOM 458 ND1 HIS A 27 -11.344 9.147 6.410 1.00 64.05 N ATOM 459 CD2 HIS A 27 -11.436 7.075 5.620 1.00 62.31 C ATOM 460 CE1 HIS A 27 -12.072 8.400 7.256 1.00 23.21 C ATOM 461 NE2 HIS A 27 -12.135 7.131 6.826 1.00 44.55 N ATOM 0 H HIS A 27 -12.181 9.086 2.095 1.00 63.41 H new ATOM 0 HA HIS A 27 -11.000 10.751 4.236 1.00 61.32 H new ATOM 0 HB2 HIS A 27 -10.203 7.953 3.403 1.00 10.23 H new ATOM 0 HB3 HIS A 27 -9.201 9.026 4.360 1.00 10.23 H new ATOM 0 HD2 HIS A 27 -11.301 6.201 5.000 1.00 62.31 H new ATOM 0 HE1 HIS A 27 -12.541 8.769 8.156 1.00 23.21 H new ATOM 0 HE2 HIS A 27 -12.605 6.355 7.292 1.00 44.55 H new ATOM 469 N PRO A 28 -10.423 11.897 1.952 1.00 23.42 N ATOM 470 CA PRO A 28 -9.710 12.650 0.920 1.00 65.25 C ATOM 471 C PRO A 28 -8.333 13.110 1.392 1.00 42.13 C ATOM 472 O PRO A 28 -7.581 13.699 0.620 1.00 21.34 O ATOM 473 CB PRO A 28 -10.604 13.848 0.599 1.00 73.35 C ATOM 474 CG PRO A 28 -11.330 14.088 1.914 1.00 43.51 C ATOM 475 CD PRO A 28 -11.545 12.676 2.440 1.00 72.01 C ATOM 0 HA PRO A 28 -9.525 12.029 0.044 1.00 65.25 H new ATOM 0 HB2 PRO A 28 -10.021 14.717 0.294 1.00 73.35 H new ATOM 0 HB3 PRO A 28 -11.298 13.629 -0.212 1.00 73.35 H new ATOM 0 HG2 PRO A 28 -10.735 14.690 2.601 1.00 43.51 H new ATOM 0 HG3 PRO A 28 -12.274 14.613 1.766 1.00 43.51 H new ATOM 0 HD2 PRO A 28 -11.583 12.666 3.529 1.00 72.01 H new ATOM 0 HD3 PRO A 28 -12.490 12.266 2.084 1.00 72.01 H new ATOM 483 N THR A 29 -8.005 12.844 2.650 1.00 64.25 N ATOM 484 CA THR A 29 -6.766 13.161 3.323 1.00 13.33 C ATOM 485 C THR A 29 -5.861 11.920 3.357 1.00 31.21 C ATOM 486 O THR A 29 -4.742 11.983 3.871 1.00 33.00 O ATOM 487 CB THR A 29 -7.186 13.596 4.741 1.00 63.14 C ATOM 488 OG1 THR A 29 -8.087 12.638 5.293 1.00 50.34 O ATOM 489 CG2 THR A 29 -7.921 14.941 4.720 1.00 73.25 C ATOM 0 H THR A 29 -8.656 12.362 3.270 1.00 64.25 H new ATOM 0 HA THR A 29 -6.197 13.944 2.822 1.00 13.33 H new ATOM 0 HB THR A 29 -6.275 13.679 5.334 1.00 63.14 H new ATOM 0 HG1 THR A 29 -8.350 12.918 6.195 1.00 50.34 H new ATOM 0 HG21 THR A 29 -8.203 15.218 5.736 1.00 73.25 H new ATOM 0 HG22 THR A 29 -7.267 15.707 4.304 1.00 73.25 H new ATOM 0 HG23 THR A 29 -8.817 14.856 4.105 1.00 73.25 H new ATOM 497 N LYS A 30 -6.299 10.793 2.770 1.00 31.04 N ATOM 498 CA LYS A 30 -5.565 9.538 2.719 1.00 70.01 C ATOM 499 C LYS A 30 -5.354 9.156 1.268 1.00 62.23 C ATOM 500 O LYS A 30 -6.226 9.317 0.413 1.00 32.01 O ATOM 501 CB LYS A 30 -6.306 8.418 3.474 1.00 74.25 C ATOM 502 CG LYS A 30 -6.348 8.566 5.009 1.00 64.44 C ATOM 503 CD LYS A 30 -4.966 8.842 5.623 1.00 32.24 C ATOM 504 CE LYS A 30 -4.797 8.465 7.099 1.00 14.24 C ATOM 505 NZ LYS A 30 -5.864 9.015 7.966 1.00 54.34 N ATOM 0 H LYS A 30 -7.205 10.739 2.305 1.00 31.04 H new ATOM 0 HA LYS A 30 -4.602 9.671 3.211 1.00 70.01 H new ATOM 0 HB2 LYS A 30 -7.330 8.370 3.103 1.00 74.25 H new ATOM 0 HB3 LYS A 30 -5.834 7.466 3.231 1.00 74.25 H new ATOM 0 HG2 LYS A 30 -7.025 9.379 5.272 1.00 64.44 H new ATOM 0 HG3 LYS A 30 -6.758 7.655 5.445 1.00 64.44 H new ATOM 0 HD2 LYS A 30 -4.218 8.301 5.043 1.00 32.24 H new ATOM 0 HD3 LYS A 30 -4.747 9.904 5.513 1.00 32.24 H new ATOM 0 HE2 LYS A 30 -4.786 7.379 7.191 1.00 14.24 H new ATOM 0 HE3 LYS A 30 -3.830 8.824 7.451 1.00 14.24 H new ATOM 0 HZ1 LYS A 30 -5.695 8.726 8.951 1.00 54.34 H new ATOM 0 HZ2 LYS A 30 -5.861 10.053 7.904 1.00 54.34 H new ATOM 0 HZ3 LYS A 30 -6.787 8.653 7.653 1.00 54.34 H new ATOM 519 N ILE A 31 -4.181 8.614 0.998 1.00 50.34 N ATOM 520 CA ILE A 31 -3.732 8.176 -0.297 1.00 71.44 C ATOM 521 C ILE A 31 -3.836 6.651 -0.292 1.00 2.51 C ATOM 522 O ILE A 31 -3.244 6.014 0.584 1.00 50.12 O ATOM 523 CB ILE A 31 -2.304 8.673 -0.579 1.00 41.11 C ATOM 524 CG1 ILE A 31 -2.269 10.210 -0.412 1.00 34.22 C ATOM 525 CG2 ILE A 31 -1.895 8.225 -1.993 1.00 42.51 C ATOM 526 CD1 ILE A 31 -1.161 10.908 -1.186 1.00 33.13 C ATOM 0 H ILE A 31 -3.480 8.462 1.724 1.00 50.34 H new ATOM 0 HA ILE A 31 -4.343 8.589 -1.100 1.00 71.44 H new ATOM 0 HB ILE A 31 -1.587 8.248 0.124 1.00 41.11 H new ATOM 0 HG12 ILE A 31 -3.228 10.618 -0.730 1.00 34.22 H new ATOM 0 HG13 ILE A 31 -2.158 10.444 0.647 1.00 34.22 H new ATOM 0 HG21 ILE A 31 -0.884 8.571 -2.206 1.00 42.51 H new ATOM 0 HG22 ILE A 31 -1.926 7.137 -2.053 1.00 42.51 H new ATOM 0 HG23 ILE A 31 -2.585 8.649 -2.723 1.00 42.51 H new ATOM 0 HD11 ILE A 31 -1.214 11.982 -1.009 1.00 33.13 H new ATOM 0 HD12 ILE A 31 -0.193 10.533 -0.854 1.00 33.13 H new ATOM 0 HD13 ILE A 31 -1.281 10.710 -2.251 1.00 33.13 H new ATOM 538 N PRO A 32 -4.595 6.070 -1.229 1.00 25.20 N ATOM 539 CA PRO A 32 -4.776 4.634 -1.356 1.00 4.50 C ATOM 540 C PRO A 32 -3.570 4.021 -2.084 1.00 31.43 C ATOM 541 O PRO A 32 -3.429 4.162 -3.304 1.00 2.44 O ATOM 542 CB PRO A 32 -6.064 4.502 -2.159 1.00 12.51 C ATOM 543 CG PRO A 32 -6.084 5.745 -3.056 1.00 14.22 C ATOM 544 CD PRO A 32 -5.323 6.786 -2.265 1.00 21.33 C ATOM 0 HA PRO A 32 -4.843 4.109 -0.403 1.00 4.50 H new ATOM 0 HB2 PRO A 32 -6.072 3.586 -2.750 1.00 12.51 H new ATOM 0 HB3 PRO A 32 -6.937 4.468 -1.507 1.00 12.51 H new ATOM 0 HG2 PRO A 32 -5.609 5.550 -4.018 1.00 14.22 H new ATOM 0 HG3 PRO A 32 -7.104 6.070 -3.264 1.00 14.22 H new ATOM 0 HD2 PRO A 32 -4.638 7.338 -2.909 1.00 21.33 H new ATOM 0 HD3 PRO A 32 -6.005 7.514 -1.826 1.00 21.33 H new ATOM 552 N VAL A 33 -2.720 3.297 -1.357 1.00 14.14 N ATOM 553 CA VAL A 33 -1.527 2.672 -1.892 1.00 32.13 C ATOM 554 C VAL A 33 -1.679 1.141 -1.756 1.00 24.44 C ATOM 555 O VAL A 33 -2.187 0.661 -0.734 1.00 31.24 O ATOM 556 CB VAL A 33 -0.303 3.336 -1.200 1.00 13.54 C ATOM 557 CG1 VAL A 33 -0.408 4.867 -1.107 1.00 50.21 C ATOM 558 CG2 VAL A 33 -0.002 2.794 0.200 1.00 71.24 C ATOM 0 H VAL A 33 -2.851 3.129 -0.359 1.00 14.14 H new ATOM 0 HA VAL A 33 -1.368 2.829 -2.959 1.00 32.13 H new ATOM 0 HB VAL A 33 0.520 3.068 -1.862 1.00 13.54 H new ATOM 0 HG11 VAL A 33 0.479 5.263 -0.613 1.00 50.21 H new ATOM 0 HG12 VAL A 33 -0.484 5.288 -2.110 1.00 50.21 H new ATOM 0 HG13 VAL A 33 -1.294 5.137 -0.532 1.00 50.21 H new ATOM 0 HG21 VAL A 33 0.866 3.310 0.611 1.00 71.24 H new ATOM 0 HG22 VAL A 33 -0.863 2.960 0.847 1.00 71.24 H new ATOM 0 HG23 VAL A 33 0.206 1.726 0.140 1.00 71.24 H new ATOM 568 N ILE A 34 -1.306 0.380 -2.790 1.00 72.22 N ATOM 569 CA ILE A 34 -1.357 -1.082 -2.858 1.00 13.22 C ATOM 570 C ILE A 34 0.094 -1.523 -2.715 1.00 64.05 C ATOM 571 O ILE A 34 0.888 -1.284 -3.625 1.00 53.34 O ATOM 572 CB ILE A 34 -1.974 -1.566 -4.197 1.00 71.05 C ATOM 573 CG1 ILE A 34 -3.423 -1.078 -4.415 1.00 5.21 C ATOM 574 CG2 ILE A 34 -1.925 -3.101 -4.357 1.00 70.32 C ATOM 575 CD1 ILE A 34 -4.412 -1.476 -3.309 1.00 41.44 C ATOM 0 H ILE A 34 -0.940 0.791 -3.649 1.00 72.22 H new ATOM 0 HA ILE A 34 -1.991 -1.509 -2.081 1.00 13.22 H new ATOM 0 HB ILE A 34 -1.344 -1.113 -4.962 1.00 71.05 H new ATOM 0 HG12 ILE A 34 -3.416 0.008 -4.502 1.00 5.21 H new ATOM 0 HG13 ILE A 34 -3.785 -1.472 -5.365 1.00 5.21 H new ATOM 0 HG21 ILE A 34 -2.370 -3.382 -5.312 1.00 70.32 H new ATOM 0 HG22 ILE A 34 -0.889 -3.437 -4.327 1.00 70.32 H new ATOM 0 HG23 ILE A 34 -2.482 -3.569 -3.545 1.00 70.32 H new ATOM 0 HD11 ILE A 34 -5.402 -1.089 -3.550 1.00 41.44 H new ATOM 0 HD12 ILE A 34 -4.456 -2.563 -3.234 1.00 41.44 H new ATOM 0 HD13 ILE A 34 -4.081 -1.059 -2.358 1.00 41.44 H new ATOM 587 N ILE A 35 0.448 -2.145 -1.593 1.00 1.53 N ATOM 588 CA ILE A 35 1.800 -2.611 -1.296 1.00 13.45 C ATOM 589 C ILE A 35 1.873 -4.112 -1.562 1.00 21.22 C ATOM 590 O ILE A 35 1.053 -4.865 -1.031 1.00 21.15 O ATOM 591 CB ILE A 35 2.144 -2.287 0.182 1.00 3.15 C ATOM 592 CG1 ILE A 35 2.169 -0.758 0.408 1.00 61.00 C ATOM 593 CG2 ILE A 35 3.490 -2.901 0.615 1.00 53.24 C ATOM 594 CD1 ILE A 35 2.399 -0.323 1.863 1.00 61.00 C ATOM 0 H ILE A 35 -0.216 -2.344 -0.845 1.00 1.53 H new ATOM 0 HA ILE A 35 2.527 -2.106 -1.933 1.00 13.45 H new ATOM 0 HB ILE A 35 1.363 -2.734 0.797 1.00 3.15 H new ATOM 0 HG12 ILE A 35 2.954 -0.326 -0.213 1.00 61.00 H new ATOM 0 HG13 ILE A 35 1.223 -0.339 0.064 1.00 61.00 H new ATOM 0 HG21 ILE A 35 3.687 -2.647 1.656 1.00 53.24 H new ATOM 0 HG22 ILE A 35 3.447 -3.985 0.508 1.00 53.24 H new ATOM 0 HG23 ILE A 35 4.289 -2.506 -0.013 1.00 53.24 H new ATOM 0 HD11 ILE A 35 2.400 0.765 1.921 1.00 61.00 H new ATOM 0 HD12 ILE A 35 1.601 -0.719 2.492 1.00 61.00 H new ATOM 0 HD13 ILE A 35 3.359 -0.706 2.210 1.00 61.00 H new ATOM 606 N GLU A 36 2.861 -4.560 -2.344 1.00 4.15 N ATOM 607 CA GLU A 36 3.040 -5.980 -2.636 1.00 44.31 C ATOM 608 C GLU A 36 4.516 -6.387 -2.526 1.00 50.33 C ATOM 609 O GLU A 36 5.423 -5.621 -2.857 1.00 23.25 O ATOM 610 CB GLU A 36 2.415 -6.311 -4.004 1.00 63.43 C ATOM 611 CG GLU A 36 2.173 -7.806 -4.224 1.00 34.01 C ATOM 612 CD GLU A 36 1.115 -8.319 -3.255 1.00 43.42 C ATOM 613 OE1 GLU A 36 -0.089 -8.180 -3.556 1.00 24.13 O ATOM 614 OE2 GLU A 36 1.475 -8.825 -2.171 1.00 22.05 O ATOM 0 H GLU A 36 3.551 -3.953 -2.787 1.00 4.15 H new ATOM 0 HA GLU A 36 2.515 -6.576 -1.889 1.00 44.31 H new ATOM 0 HB2 GLU A 36 1.467 -5.781 -4.098 1.00 63.43 H new ATOM 0 HB3 GLU A 36 3.069 -5.938 -4.792 1.00 63.43 H new ATOM 0 HG2 GLU A 36 1.852 -7.982 -5.251 1.00 34.01 H new ATOM 0 HG3 GLU A 36 3.103 -8.357 -4.082 1.00 34.01 H new ATOM 621 N ARG A 37 4.749 -7.605 -2.049 1.00 31.23 N ATOM 622 CA ARG A 37 6.075 -8.181 -1.873 1.00 43.50 C ATOM 623 C ARG A 37 6.667 -8.524 -3.238 1.00 42.53 C ATOM 624 O ARG A 37 5.967 -9.144 -4.051 1.00 34.23 O ATOM 625 CB ARG A 37 5.896 -9.425 -0.975 1.00 71.13 C ATOM 626 CG ARG A 37 7.124 -10.342 -0.884 1.00 65.04 C ATOM 627 CD ARG A 37 6.872 -11.792 -1.304 1.00 31.42 C ATOM 628 NE ARG A 37 6.429 -11.887 -2.697 1.00 10.33 N ATOM 629 CZ ARG A 37 6.042 -12.998 -3.325 1.00 10.52 C ATOM 630 NH1 ARG A 37 5.832 -14.131 -2.657 1.00 44.21 N ATOM 631 NH2 ARG A 37 5.865 -12.951 -4.636 1.00 70.00 N ATOM 0 H ARG A 37 3.999 -8.236 -1.767 1.00 31.23 H new ATOM 0 HA ARG A 37 6.772 -7.489 -1.400 1.00 43.50 H new ATOM 0 HB2 ARG A 37 5.633 -9.094 0.030 1.00 71.13 H new ATOM 0 HB3 ARG A 37 5.054 -10.007 -1.350 1.00 71.13 H new ATOM 0 HG2 ARG A 37 7.916 -9.929 -1.509 1.00 65.04 H new ATOM 0 HG3 ARG A 37 7.491 -10.334 0.142 1.00 65.04 H new ATOM 0 HD2 ARG A 37 7.785 -12.372 -1.173 1.00 31.42 H new ATOM 0 HD3 ARG A 37 6.118 -12.233 -0.652 1.00 31.42 H new ATOM 0 HE ARG A 37 6.415 -11.022 -3.237 1.00 10.33 H new ATOM 0 HH11 ARG A 37 5.967 -14.160 -1.646 1.00 44.21 H new ATOM 0 HH12 ARG A 37 5.536 -14.970 -3.156 1.00 44.21 H new ATOM 0 HH21 ARG A 37 6.024 -12.079 -5.141 1.00 70.00 H new ATOM 0 HH22 ARG A 37 5.569 -13.786 -5.141 1.00 70.00 H new ATOM 645 N TYR A 38 7.930 -8.186 -3.513 1.00 5.13 N ATOM 646 CA TYR A 38 8.537 -8.504 -4.810 1.00 43.34 C ATOM 647 C TYR A 38 8.687 -10.007 -5.046 1.00 42.52 C ATOM 648 O TYR A 38 8.738 -10.796 -4.107 1.00 21.32 O ATOM 649 CB TYR A 38 9.940 -7.894 -4.921 1.00 50.32 C ATOM 650 CG TYR A 38 10.561 -7.964 -6.307 1.00 43.22 C ATOM 651 CD1 TYR A 38 9.796 -7.621 -7.439 1.00 10.43 C ATOM 652 CD2 TYR A 38 11.888 -8.411 -6.476 1.00 64.10 C ATOM 653 CE1 TYR A 38 10.317 -7.788 -8.730 1.00 63.14 C ATOM 654 CE2 TYR A 38 12.426 -8.565 -7.768 1.00 51.31 C ATOM 655 CZ TYR A 38 11.635 -8.258 -8.900 1.00 44.40 C ATOM 656 OH TYR A 38 12.109 -8.444 -10.159 1.00 14.52 O ATOM 0 H TYR A 38 8.547 -7.698 -2.864 1.00 5.13 H new ATOM 0 HA TYR A 38 7.859 -8.087 -5.554 1.00 43.34 H new ATOM 0 HB2 TYR A 38 9.892 -6.850 -4.613 1.00 50.32 H new ATOM 0 HB3 TYR A 38 10.599 -8.404 -4.218 1.00 50.32 H new ATOM 0 HD1 TYR A 38 8.799 -7.226 -7.311 1.00 10.43 H new ATOM 0 HD2 TYR A 38 12.494 -8.636 -5.611 1.00 64.10 H new ATOM 0 HE1 TYR A 38 9.710 -7.557 -9.593 1.00 63.14 H new ATOM 0 HE2 TYR A 38 13.439 -8.916 -7.894 1.00 51.31 H new ATOM 0 HH TYR A 38 13.032 -8.770 -10.116 1.00 14.52 H new ATOM 666 N LYS A 39 8.807 -10.430 -6.308 1.00 63.12 N ATOM 667 CA LYS A 39 8.996 -11.844 -6.640 1.00 14.25 C ATOM 668 C LYS A 39 10.366 -12.323 -6.142 1.00 44.44 C ATOM 669 O LYS A 39 10.488 -13.442 -5.642 1.00 41.30 O ATOM 670 CB LYS A 39 8.761 -12.112 -8.135 1.00 72.23 C ATOM 671 CG LYS A 39 9.514 -11.210 -9.128 1.00 51.53 C ATOM 672 CD LYS A 39 9.081 -11.520 -10.570 1.00 3.41 C ATOM 673 CE LYS A 39 9.662 -10.539 -11.601 1.00 30.21 C ATOM 674 NZ LYS A 39 11.105 -10.749 -11.827 1.00 2.51 N ATOM 0 H LYS A 39 8.776 -9.811 -7.118 1.00 63.12 H new ATOM 0 HA LYS A 39 8.242 -12.435 -6.120 1.00 14.25 H new ATOM 0 HB2 LYS A 39 9.034 -13.147 -8.342 1.00 72.23 H new ATOM 0 HB3 LYS A 39 7.693 -12.018 -8.333 1.00 72.23 H new ATOM 0 HG2 LYS A 39 9.316 -10.163 -8.900 1.00 51.53 H new ATOM 0 HG3 LYS A 39 10.588 -11.362 -9.024 1.00 51.53 H new ATOM 0 HD2 LYS A 39 9.392 -12.533 -10.826 1.00 3.41 H new ATOM 0 HD3 LYS A 39 7.993 -11.496 -10.629 1.00 3.41 H new ATOM 0 HE2 LYS A 39 9.129 -10.651 -12.545 1.00 30.21 H new ATOM 0 HE3 LYS A 39 9.495 -9.517 -11.260 1.00 30.21 H new ATOM 0 HZ1 LYS A 39 11.309 -10.694 -12.845 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 11.645 -10.015 -11.326 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 11.380 -11.686 -11.469 1.00 2.51 H new ATOM 688 N GLY A 40 11.397 -11.480 -6.204 1.00 43.40 N ATOM 689 CA GLY A 40 12.732 -11.840 -5.732 1.00 54.33 C ATOM 690 C GLY A 40 12.829 -11.820 -4.202 1.00 53.53 C ATOM 691 O GLY A 40 13.819 -12.282 -3.638 1.00 70.20 O ATOM 0 H GLY A 40 11.330 -10.534 -6.581 1.00 43.40 H new ATOM 0 HA2 GLY A 40 12.989 -12.834 -6.098 1.00 54.33 H new ATOM 0 HA3 GLY A 40 13.463 -11.147 -6.150 1.00 54.33 H new ATOM 695 N GLU A 41 11.817 -11.292 -3.508 1.00 4.52 N ATOM 696 CA GLU A 41 11.795 -11.193 -2.063 1.00 52.21 C ATOM 697 C GLU A 41 11.555 -12.555 -1.418 1.00 10.11 C ATOM 698 O GLU A 41 10.452 -13.102 -1.467 1.00 52.31 O ATOM 699 CB GLU A 41 10.694 -10.221 -1.653 1.00 3.21 C ATOM 700 CG GLU A 41 10.841 -9.735 -0.213 1.00 14.54 C ATOM 701 CD GLU A 41 9.697 -8.815 0.207 1.00 24.31 C ATOM 702 OE1 GLU A 41 9.196 -8.069 -0.656 1.00 43.31 O ATOM 703 OE2 GLU A 41 9.436 -8.718 1.423 1.00 10.14 O ATOM 0 H GLU A 41 10.979 -10.917 -3.952 1.00 4.52 H new ATOM 0 HA GLU A 41 12.764 -10.830 -1.720 1.00 52.21 H new ATOM 0 HB2 GLU A 41 10.705 -9.362 -2.324 1.00 3.21 H new ATOM 0 HB3 GLU A 41 9.725 -10.706 -1.771 1.00 3.21 H new ATOM 0 HG2 GLU A 41 10.878 -10.594 0.456 1.00 14.54 H new ATOM 0 HG3 GLU A 41 11.788 -9.206 -0.105 1.00 14.54 H new ATOM 710 N LYS A 42 12.596 -13.094 -0.793 1.00 14.35 N ATOM 711 CA LYS A 42 12.579 -14.376 -0.086 1.00 22.01 C ATOM 712 C LYS A 42 13.281 -14.272 1.267 1.00 12.23 C ATOM 713 O LYS A 42 13.442 -15.267 1.967 1.00 33.01 O ATOM 714 CB LYS A 42 13.237 -15.442 -0.972 1.00 65.11 C ATOM 715 CG LYS A 42 12.426 -15.798 -2.226 1.00 61.30 C ATOM 716 CD LYS A 42 11.065 -16.414 -1.864 1.00 74.10 C ATOM 717 CE LYS A 42 10.351 -17.045 -3.063 1.00 14.44 C ATOM 718 NZ LYS A 42 10.930 -18.341 -3.459 1.00 72.33 N ATOM 0 H LYS A 42 13.508 -12.637 -0.762 1.00 14.35 H new ATOM 0 HA LYS A 42 11.546 -14.662 0.115 1.00 22.01 H new ATOM 0 HB2 LYS A 42 14.222 -15.089 -1.277 1.00 65.11 H new ATOM 0 HB3 LYS A 42 13.391 -16.346 -0.382 1.00 65.11 H new ATOM 0 HG2 LYS A 42 12.272 -14.902 -2.827 1.00 61.30 H new ATOM 0 HG3 LYS A 42 12.992 -16.499 -2.839 1.00 61.30 H new ATOM 0 HD2 LYS A 42 11.210 -17.173 -1.095 1.00 74.10 H new ATOM 0 HD3 LYS A 42 10.427 -15.642 -1.434 1.00 74.10 H new ATOM 0 HE2 LYS A 42 9.297 -17.183 -2.821 1.00 14.44 H new ATOM 0 HE3 LYS A 42 10.397 -16.359 -3.909 1.00 14.44 H new ATOM 0 HZ1 LYS A 42 10.407 -18.720 -4.274 1.00 72.33 H new ATOM 0 HZ2 LYS A 42 11.929 -18.210 -3.718 1.00 72.33 H new ATOM 0 HZ3 LYS A 42 10.863 -19.008 -2.664 1.00 72.33 H new ATOM 732 N GLN A 43 13.781 -13.083 1.592 1.00 23.11 N ATOM 733 CA GLN A 43 14.481 -12.753 2.813 1.00 13.55 C ATOM 734 C GLN A 43 13.589 -11.931 3.740 1.00 64.31 C ATOM 735 O GLN A 43 13.751 -11.996 4.957 1.00 54.42 O ATOM 736 CB GLN A 43 15.762 -11.987 2.450 1.00 71.32 C ATOM 737 CG GLN A 43 15.548 -10.697 1.627 1.00 53.30 C ATOM 738 CD GLN A 43 15.601 -10.806 0.089 1.00 74.00 C ATOM 739 OE1 GLN A 43 15.752 -9.798 -0.585 1.00 73.03 O ATOM 740 NE2 GLN A 43 15.437 -11.967 -0.531 1.00 13.55 N ATOM 0 H GLN A 43 13.699 -12.281 0.967 1.00 23.11 H new ATOM 0 HA GLN A 43 14.746 -13.665 3.347 1.00 13.55 H new ATOM 0 HB2 GLN A 43 16.285 -11.728 3.371 1.00 71.32 H new ATOM 0 HB3 GLN A 43 16.417 -12.653 1.888 1.00 71.32 H new ATOM 0 HG2 GLN A 43 14.577 -10.283 1.900 1.00 53.30 H new ATOM 0 HG3 GLN A 43 16.302 -9.973 1.937 1.00 53.30 H new ATOM 0 HE21 GLN A 43 15.309 -12.821 0.011 1.00 13.55 H new ATOM 0 HE22 GLN A 43 15.439 -12.006 -1.550 1.00 13.55 H new ATOM 749 N LEU A 44 12.710 -11.105 3.166 1.00 45.52 N ATOM 750 CA LEU A 44 11.803 -10.253 3.901 1.00 3.12 C ATOM 751 C LEU A 44 10.420 -10.918 3.972 1.00 41.53 C ATOM 752 O LEU A 44 10.082 -11.692 3.071 1.00 33.42 O ATOM 753 CB LEU A 44 11.790 -8.830 3.307 1.00 73.04 C ATOM 754 CG LEU A 44 13.017 -7.993 3.693 1.00 23.11 C ATOM 755 CD1 LEU A 44 12.856 -6.561 3.201 1.00 44.33 C ATOM 756 CD2 LEU A 44 13.231 -7.914 5.197 1.00 13.41 C ATOM 0 H LEU A 44 12.616 -11.016 2.154 1.00 45.52 H new ATOM 0 HA LEU A 44 12.144 -10.132 4.929 1.00 3.12 H new ATOM 0 HB2 LEU A 44 11.735 -8.899 2.221 1.00 73.04 H new ATOM 0 HB3 LEU A 44 10.889 -8.314 3.640 1.00 73.04 H new ATOM 0 HG LEU A 44 13.869 -8.491 3.231 1.00 23.11 H new ATOM 0 HD11 LEU A 44 13.734 -5.979 3.482 1.00 44.33 H new ATOM 0 HD12 LEU A 44 12.751 -6.559 2.116 1.00 44.33 H new ATOM 0 HD13 LEU A 44 11.968 -6.119 3.652 1.00 44.33 H new ATOM 0 HD21 LEU A 44 14.113 -7.309 5.408 1.00 13.41 H new ATOM 0 HD22 LEU A 44 12.358 -7.459 5.665 1.00 13.41 H new ATOM 0 HD23 LEU A 44 13.375 -8.918 5.597 1.00 13.41 H new ATOM 768 N PRO A 45 9.636 -10.649 5.032 1.00 63.43 N ATOM 769 CA PRO A 45 8.314 -11.229 5.209 1.00 3.44 C ATOM 770 C PRO A 45 7.241 -10.463 4.429 1.00 65.14 C ATOM 771 O PRO A 45 7.380 -9.274 4.126 1.00 1.55 O ATOM 772 CB PRO A 45 8.071 -11.146 6.713 1.00 41.42 C ATOM 773 CG PRO A 45 8.763 -9.842 7.102 1.00 65.00 C ATOM 774 CD PRO A 45 9.953 -9.764 6.145 1.00 31.31 C ATOM 0 HA PRO A 45 8.261 -12.249 4.829 1.00 3.44 H new ATOM 0 HB2 PRO A 45 7.007 -11.124 6.949 1.00 41.42 H new ATOM 0 HB3 PRO A 45 8.497 -12.001 7.238 1.00 41.42 H new ATOM 0 HG2 PRO A 45 8.099 -8.986 6.985 1.00 65.00 H new ATOM 0 HG3 PRO A 45 9.086 -9.855 8.143 1.00 65.00 H new ATOM 0 HD2 PRO A 45 10.108 -8.742 5.798 1.00 31.31 H new ATOM 0 HD3 PRO A 45 10.873 -10.075 6.641 1.00 31.31 H new ATOM 782 N VAL A 46 6.132 -11.146 4.151 1.00 25.22 N ATOM 783 CA VAL A 46 5.006 -10.592 3.413 1.00 1.11 C ATOM 784 C VAL A 46 4.135 -9.772 4.370 1.00 1.41 C ATOM 785 O VAL A 46 3.828 -10.223 5.480 1.00 65.40 O ATOM 786 CB VAL A 46 4.244 -11.715 2.690 1.00 12.12 C ATOM 787 CG1 VAL A 46 3.222 -11.144 1.695 1.00 4.35 C ATOM 788 CG2 VAL A 46 5.245 -12.564 1.891 1.00 70.41 C ATOM 0 H VAL A 46 5.992 -12.115 4.438 1.00 25.22 H new ATOM 0 HA VAL A 46 5.349 -9.913 2.633 1.00 1.11 H new ATOM 0 HB VAL A 46 3.724 -12.308 3.443 1.00 12.12 H new ATOM 0 HG11 VAL A 46 2.700 -11.963 1.200 1.00 4.35 H new ATOM 0 HG12 VAL A 46 2.502 -10.524 2.229 1.00 4.35 H new ATOM 0 HG13 VAL A 46 3.739 -10.540 0.949 1.00 4.35 H new ATOM 0 HG21 VAL A 46 4.713 -13.363 1.375 1.00 70.41 H new ATOM 0 HG22 VAL A 46 5.753 -11.935 1.160 1.00 70.41 H new ATOM 0 HG23 VAL A 46 5.979 -12.997 2.571 1.00 70.41 H new ATOM 798 N LEU A 47 3.727 -8.577 3.932 1.00 24.01 N ATOM 799 CA LEU A 47 2.906 -7.646 4.692 1.00 22.01 C ATOM 800 C LEU A 47 1.580 -8.282 5.100 1.00 42.32 C ATOM 801 O LEU A 47 0.977 -9.046 4.344 1.00 24.15 O ATOM 802 CB LEU A 47 2.623 -6.373 3.864 1.00 3.53 C ATOM 803 CG LEU A 47 3.094 -5.042 4.464 1.00 3.34 C ATOM 804 CD1 LEU A 47 2.729 -4.832 5.942 1.00 54.20 C ATOM 805 CD2 LEU A 47 4.599 -4.907 4.273 1.00 70.10 C ATOM 0 H LEU A 47 3.971 -8.225 3.006 1.00 24.01 H new ATOM 0 HA LEU A 47 3.461 -7.382 5.592 1.00 22.01 H new ATOM 0 HB2 LEU A 47 3.092 -6.491 2.887 1.00 3.53 H new ATOM 0 HB3 LEU A 47 1.548 -6.309 3.695 1.00 3.53 H new ATOM 0 HG LEU A 47 2.556 -4.263 3.924 1.00 3.34 H new ATOM 0 HD11 LEU A 47 3.104 -3.864 6.275 1.00 54.20 H new ATOM 0 HD12 LEU A 47 1.645 -4.860 6.057 1.00 54.20 H new ATOM 0 HD13 LEU A 47 3.178 -5.622 6.544 1.00 54.20 H new ATOM 0 HD21 LEU A 47 4.936 -3.962 4.698 1.00 70.10 H new ATOM 0 HD22 LEU A 47 5.105 -5.732 4.775 1.00 70.10 H new ATOM 0 HD23 LEU A 47 4.834 -4.930 3.209 1.00 70.10 H new ATOM 817 N ASP A 48 1.086 -7.891 6.273 1.00 43.12 N ATOM 818 CA ASP A 48 -0.167 -8.370 6.854 1.00 21.22 C ATOM 819 C ASP A 48 -1.400 -8.044 6.000 1.00 32.32 C ATOM 820 O ASP A 48 -2.383 -8.780 6.071 1.00 62.42 O ATOM 821 CB ASP A 48 -0.286 -7.785 8.262 1.00 4.11 C ATOM 822 CG ASP A 48 -1.636 -8.039 8.927 1.00 12.21 C ATOM 823 OD1 ASP A 48 -1.756 -9.045 9.661 1.00 25.41 O ATOM 824 OD2 ASP A 48 -2.517 -7.157 8.828 1.00 52.14 O ATOM 0 H ASP A 48 1.562 -7.210 6.865 1.00 43.12 H new ATOM 0 HA ASP A 48 -0.139 -9.459 6.893 1.00 21.22 H new ATOM 0 HB2 ASP A 48 0.501 -8.207 8.887 1.00 4.11 H new ATOM 0 HB3 ASP A 48 -0.113 -6.710 8.214 1.00 4.11 H new ATOM 829 N LYS A 49 -1.370 -6.959 5.214 1.00 41.22 N ATOM 830 CA LYS A 49 -2.451 -6.517 4.322 1.00 65.13 C ATOM 831 C LYS A 49 -1.849 -6.064 2.993 1.00 34.03 C ATOM 832 O LYS A 49 -0.630 -6.023 2.853 1.00 70.32 O ATOM 833 CB LYS A 49 -3.304 -5.387 4.929 1.00 62.10 C ATOM 834 CG LYS A 49 -3.838 -5.709 6.328 1.00 13.44 C ATOM 835 CD LYS A 49 -5.142 -4.974 6.640 1.00 30.31 C ATOM 836 CE LYS A 49 -6.365 -5.603 5.972 1.00 51.44 C ATOM 837 NZ LYS A 49 -6.582 -7.011 6.371 1.00 71.02 N ATOM 0 H LYS A 49 -0.560 -6.340 5.181 1.00 41.22 H new ATOM 0 HA LYS A 49 -3.120 -7.364 4.170 1.00 65.13 H new ATOM 0 HB2 LYS A 49 -2.706 -4.477 4.978 1.00 62.10 H new ATOM 0 HB3 LYS A 49 -4.145 -5.181 4.266 1.00 62.10 H new ATOM 0 HG2 LYS A 49 -4.001 -6.783 6.413 1.00 13.44 H new ATOM 0 HG3 LYS A 49 -3.087 -5.441 7.071 1.00 13.44 H new ATOM 0 HD2 LYS A 49 -5.293 -4.959 7.719 1.00 30.31 H new ATOM 0 HD3 LYS A 49 -5.053 -3.937 6.316 1.00 30.31 H new ATOM 0 HE2 LYS A 49 -7.250 -5.019 6.224 1.00 51.44 H new ATOM 0 HE3 LYS A 49 -6.247 -5.552 4.890 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 -7.576 -7.269 6.209 1.00 71.02 H new ATOM 0 HZ2 LYS A 49 -5.967 -7.631 5.806 1.00 71.02 H new ATOM 0 HZ3 LYS A 49 -6.355 -7.125 7.380 1.00 71.02 H new ATOM 851 N THR A 50 -2.688 -5.656 2.045 1.00 25.41 N ATOM 852 CA THR A 50 -2.268 -5.197 0.728 1.00 14.51 C ATOM 853 C THR A 50 -2.714 -3.750 0.488 1.00 64.05 C ATOM 854 O THR A 50 -1.968 -2.984 -0.125 1.00 61.14 O ATOM 855 CB THR A 50 -2.799 -6.199 -0.309 1.00 14.24 C ATOM 856 OG1 THR A 50 -2.287 -7.484 -0.018 1.00 74.03 O ATOM 857 CG2 THR A 50 -2.410 -5.851 -1.743 1.00 32.44 C ATOM 0 H THR A 50 -3.699 -5.635 2.175 1.00 25.41 H new ATOM 0 HA THR A 50 -1.182 -5.170 0.642 1.00 14.51 H new ATOM 0 HB THR A 50 -3.886 -6.166 -0.242 1.00 14.24 H new ATOM 0 HG1 THR A 50 -2.624 -8.127 -0.676 1.00 74.03 H new ATOM 0 HG21 THR A 50 -2.818 -6.600 -2.422 1.00 32.44 H new ATOM 0 HG22 THR A 50 -2.810 -4.871 -2.001 1.00 32.44 H new ATOM 0 HG23 THR A 50 -1.324 -5.834 -1.831 1.00 32.44 H new ATOM 865 N LYS A 51 -3.898 -3.354 0.966 1.00 65.05 N ATOM 866 CA LYS A 51 -4.432 -2.000 0.813 1.00 63.11 C ATOM 867 C LYS A 51 -4.039 -1.146 2.028 1.00 25.32 C ATOM 868 O LYS A 51 -4.326 -1.518 3.166 1.00 53.32 O ATOM 869 CB LYS A 51 -5.957 -2.104 0.703 1.00 31.40 C ATOM 870 CG LYS A 51 -6.500 -2.495 -0.676 1.00 4.51 C ATOM 871 CD LYS A 51 -7.984 -2.848 -0.528 1.00 53.54 C ATOM 872 CE LYS A 51 -8.688 -2.966 -1.884 1.00 21.22 C ATOM 873 NZ LYS A 51 -10.073 -3.455 -1.727 1.00 22.00 N ATOM 0 H LYS A 51 -4.522 -3.977 1.479 1.00 65.05 H new ATOM 0 HA LYS A 51 -4.026 -1.526 -0.080 1.00 63.11 H new ATOM 0 HB2 LYS A 51 -6.306 -2.836 1.431 1.00 31.40 H new ATOM 0 HB3 LYS A 51 -6.389 -1.144 0.984 1.00 31.40 H new ATOM 0 HG2 LYS A 51 -6.374 -1.673 -1.380 1.00 4.51 H new ATOM 0 HG3 LYS A 51 -5.946 -3.345 -1.075 1.00 4.51 H new ATOM 0 HD2 LYS A 51 -8.080 -3.790 0.013 1.00 53.54 H new ATOM 0 HD3 LYS A 51 -8.479 -2.084 0.072 1.00 53.54 H new ATOM 0 HE2 LYS A 51 -8.697 -1.994 -2.378 1.00 21.22 H new ATOM 0 HE3 LYS A 51 -8.130 -3.646 -2.528 1.00 21.22 H new ATOM 0 HZ1 LYS A 51 -10.704 -2.918 -2.356 1.00 22.00 H new ATOM 0 HZ2 LYS A 51 -10.115 -4.464 -1.974 1.00 22.00 H new ATOM 0 HZ3 LYS A 51 -10.377 -3.327 -0.741 1.00 22.00 H new ATOM 887 N PHE A 52 -3.430 0.023 1.817 1.00 61.34 N ATOM 888 CA PHE A 52 -3.012 0.924 2.892 1.00 11.23 C ATOM 889 C PHE A 52 -3.477 2.349 2.596 1.00 63.33 C ATOM 890 O PHE A 52 -3.698 2.715 1.440 1.00 51.51 O ATOM 891 CB PHE A 52 -1.486 0.876 3.057 1.00 50.13 C ATOM 892 CG PHE A 52 -0.937 -0.451 3.536 1.00 45.14 C ATOM 893 CD1 PHE A 52 -0.802 -1.519 2.630 1.00 54.12 C ATOM 894 CD2 PHE A 52 -0.546 -0.618 4.878 1.00 54.21 C ATOM 895 CE1 PHE A 52 -0.318 -2.760 3.068 1.00 23.32 C ATOM 896 CE2 PHE A 52 -0.055 -1.860 5.318 1.00 51.12 C ATOM 897 CZ PHE A 52 0.047 -2.931 4.413 1.00 54.33 C ATOM 0 H PHE A 52 -3.211 0.374 0.885 1.00 61.34 H new ATOM 0 HA PHE A 52 -3.471 0.599 3.826 1.00 11.23 H new ATOM 0 HB2 PHE A 52 -1.024 1.119 2.100 1.00 50.13 H new ATOM 0 HB3 PHE A 52 -1.187 1.652 3.762 1.00 50.13 H new ATOM 0 HD1 PHE A 52 -1.072 -1.382 1.593 1.00 54.12 H new ATOM 0 HD2 PHE A 52 -0.623 0.208 5.570 1.00 54.21 H new ATOM 0 HE1 PHE A 52 -0.226 -3.582 2.373 1.00 23.32 H new ATOM 0 HE2 PHE A 52 0.243 -1.991 6.348 1.00 51.12 H new ATOM 0 HZ PHE A 52 0.408 -3.890 4.754 1.00 54.33 H new ATOM 907 N LEU A 53 -3.580 3.166 3.647 1.00 45.55 N ATOM 908 CA LEU A 53 -4.012 4.561 3.604 1.00 52.21 C ATOM 909 C LEU A 53 -2.921 5.409 4.237 1.00 62.13 C ATOM 910 O LEU A 53 -2.721 5.388 5.458 1.00 61.32 O ATOM 911 CB LEU A 53 -5.356 4.737 4.330 1.00 72.32 C ATOM 912 CG LEU A 53 -6.529 4.109 3.578 1.00 25.12 C ATOM 913 CD1 LEU A 53 -7.720 3.923 4.522 1.00 50.32 C ATOM 914 CD2 LEU A 53 -6.986 4.842 2.328 1.00 3.11 C ATOM 0 H LEU A 53 -3.354 2.857 4.592 1.00 45.55 H new ATOM 0 HA LEU A 53 -4.169 4.878 2.573 1.00 52.21 H new ATOM 0 HB2 LEU A 53 -5.288 4.291 5.322 1.00 72.32 H new ATOM 0 HB3 LEU A 53 -5.550 5.800 4.471 1.00 72.32 H new ATOM 0 HG LEU A 53 -6.144 3.153 3.224 1.00 25.12 H new ATOM 0 HD11 LEU A 53 -8.550 3.475 3.976 1.00 50.32 H new ATOM 0 HD12 LEU A 53 -7.433 3.270 5.346 1.00 50.32 H new ATOM 0 HD13 LEU A 53 -8.026 4.892 4.917 1.00 50.32 H new ATOM 0 HD21 LEU A 53 -7.822 4.307 1.878 1.00 3.11 H new ATOM 0 HD22 LEU A 53 -7.301 5.851 2.593 1.00 3.11 H new ATOM 0 HD23 LEU A 53 -6.163 4.894 1.616 1.00 3.11 H new ATOM 926 N VAL A 54 -2.209 6.154 3.400 1.00 62.14 N ATOM 927 CA VAL A 54 -1.112 7.017 3.814 1.00 50.13 C ATOM 928 C VAL A 54 -1.619 8.455 3.854 1.00 32.41 C ATOM 929 O VAL A 54 -2.258 8.869 2.895 1.00 3.44 O ATOM 930 CB VAL A 54 0.049 6.920 2.803 1.00 50.44 C ATOM 931 CG1 VAL A 54 1.294 7.613 3.374 1.00 22.23 C ATOM 932 CG2 VAL A 54 0.382 5.477 2.396 1.00 31.03 C ATOM 0 H VAL A 54 -2.382 6.175 2.395 1.00 62.14 H new ATOM 0 HA VAL A 54 -0.754 6.708 4.796 1.00 50.13 H new ATOM 0 HB VAL A 54 -0.279 7.426 1.895 1.00 50.44 H new ATOM 0 HG11 VAL A 54 2.111 7.542 2.656 1.00 22.23 H new ATOM 0 HG12 VAL A 54 1.070 8.662 3.566 1.00 22.23 H new ATOM 0 HG13 VAL A 54 1.586 7.128 4.305 1.00 22.23 H new ATOM 0 HG21 VAL A 54 1.207 5.481 1.684 1.00 31.03 H new ATOM 0 HG22 VAL A 54 0.668 4.907 3.280 1.00 31.03 H new ATOM 0 HG23 VAL A 54 -0.493 5.018 1.936 1.00 31.03 H new ATOM 942 N PRO A 55 -1.407 9.223 4.928 1.00 45.53 N ATOM 943 CA PRO A 55 -1.862 10.605 4.962 1.00 30.44 C ATOM 944 C PRO A 55 -1.130 11.410 3.884 1.00 23.32 C ATOM 945 O PRO A 55 0.096 11.339 3.794 1.00 12.11 O ATOM 946 CB PRO A 55 -1.581 11.104 6.373 1.00 54.52 C ATOM 947 CG PRO A 55 -0.583 10.117 6.961 1.00 42.34 C ATOM 948 CD PRO A 55 -0.687 8.851 6.128 1.00 30.22 C ATOM 0 HA PRO A 55 -2.925 10.710 4.745 1.00 30.44 H new ATOM 0 HB2 PRO A 55 -1.172 12.114 6.358 1.00 54.52 H new ATOM 0 HB3 PRO A 55 -2.495 11.139 6.966 1.00 54.52 H new ATOM 0 HG2 PRO A 55 0.429 10.522 6.927 1.00 42.34 H new ATOM 0 HG3 PRO A 55 -0.810 9.913 8.007 1.00 42.34 H new ATOM 0 HD2 PRO A 55 0.301 8.461 5.885 1.00 30.22 H new ATOM 0 HD3 PRO A 55 -1.214 8.067 6.672 1.00 30.22 H new ATOM 956 N ASP A 56 -1.870 12.190 3.093 1.00 31.10 N ATOM 957 CA ASP A 56 -1.334 13.006 1.995 1.00 2.30 C ATOM 958 C ASP A 56 -0.368 14.118 2.399 1.00 10.33 C ATOM 959 O ASP A 56 0.187 14.784 1.526 1.00 30.23 O ATOM 960 CB ASP A 56 -2.464 13.547 1.094 1.00 53.15 C ATOM 961 CG ASP A 56 -3.278 14.766 1.564 1.00 3.40 C ATOM 962 OD1 ASP A 56 -2.875 15.550 2.458 1.00 64.04 O ATOM 963 OD2 ASP A 56 -4.369 14.943 0.979 1.00 31.22 O ATOM 0 H ASP A 56 -2.881 12.276 3.198 1.00 31.10 H new ATOM 0 HA ASP A 56 -0.717 12.311 1.426 1.00 2.30 H new ATOM 0 HB2 ASP A 56 -2.023 13.799 0.129 1.00 53.15 H new ATOM 0 HB3 ASP A 56 -3.165 12.731 0.921 1.00 53.15 H new ATOM 968 N HIS A 57 -0.124 14.293 3.694 1.00 73.33 N ATOM 969 CA HIS A 57 0.745 15.307 4.260 1.00 13.24 C ATOM 970 C HIS A 57 2.077 14.765 4.792 1.00 43.42 C ATOM 971 O HIS A 57 2.920 15.576 5.191 1.00 45.44 O ATOM 972 CB HIS A 57 -0.056 16.063 5.335 1.00 5.44 C ATOM 973 CG HIS A 57 -0.890 15.193 6.255 1.00 3.54 C ATOM 974 ND1 HIS A 57 -0.557 14.795 7.532 1.00 1.20 N ATOM 975 CD2 HIS A 57 -2.147 14.712 5.990 1.00 33.04 C ATOM 976 CE1 HIS A 57 -1.595 14.106 8.033 1.00 41.11 C ATOM 977 NE2 HIS A 57 -2.606 14.061 7.144 1.00 53.51 N ATOM 0 H HIS A 57 -0.549 13.701 4.407 1.00 73.33 H new ATOM 0 HA HIS A 57 1.049 15.988 3.465 1.00 13.24 H new ATOM 0 HB2 HIS A 57 0.640 16.642 5.942 1.00 5.44 H new ATOM 0 HB3 HIS A 57 -0.716 16.775 4.839 1.00 5.44 H new ATOM 0 HD2 HIS A 57 -2.686 14.816 5.060 1.00 33.04 H new ATOM 0 HE1 HIS A 57 -1.616 13.651 9.012 1.00 41.11 H new ATOM 0 HE2 HIS A 57 -3.523 13.637 7.283 1.00 53.51 H new ATOM 985 N VAL A 58 2.274 13.442 4.864 1.00 1.11 N ATOM 986 CA VAL A 58 3.522 12.855 5.357 1.00 45.33 C ATOM 987 C VAL A 58 4.457 12.406 4.224 1.00 63.05 C ATOM 988 O VAL A 58 4.046 12.201 3.076 1.00 3.24 O ATOM 989 CB VAL A 58 3.213 11.755 6.392 1.00 11.21 C ATOM 990 CG1 VAL A 58 2.936 10.381 5.757 1.00 5.22 C ATOM 991 CG2 VAL A 58 4.351 11.649 7.417 1.00 50.22 C ATOM 0 H VAL A 58 1.576 12.754 4.583 1.00 1.11 H new ATOM 0 HA VAL A 58 4.090 13.629 5.873 1.00 45.33 H new ATOM 0 HB VAL A 58 2.293 12.055 6.895 1.00 11.21 H new ATOM 0 HG11 VAL A 58 2.726 9.653 6.541 1.00 5.22 H new ATOM 0 HG12 VAL A 58 2.076 10.455 5.091 1.00 5.22 H new ATOM 0 HG13 VAL A 58 3.809 10.060 5.189 1.00 5.22 H new ATOM 0 HG21 VAL A 58 4.117 10.868 8.141 1.00 50.22 H new ATOM 0 HG22 VAL A 58 5.281 11.402 6.904 1.00 50.22 H new ATOM 0 HG23 VAL A 58 4.464 12.601 7.935 1.00 50.22 H new ATOM 1001 N ASN A 59 5.729 12.217 4.579 1.00 3.10 N ATOM 1002 CA ASN A 59 6.796 11.768 3.698 1.00 43.44 C ATOM 1003 C ASN A 59 6.999 10.267 3.831 1.00 50.22 C ATOM 1004 O ASN A 59 6.728 9.630 4.865 1.00 53.51 O ATOM 1005 CB ASN A 59 8.110 12.512 3.947 1.00 21.43 C ATOM 1006 CG ASN A 59 8.436 12.652 5.422 1.00 71.31 C ATOM 1007 OD1 ASN A 59 9.160 11.728 6.019 1.00 33.14 O flip ATOM 1008 ND2 ASN A 59 7.999 13.604 6.059 1.00 10.50 N flip ATOM 0 H ASN A 59 6.053 12.382 5.532 1.00 3.10 H new ATOM 0 HA ASN A 59 6.488 11.997 2.678 1.00 43.44 H new ATOM 0 HB2 ASN A 59 8.922 11.982 3.449 1.00 21.43 H new ATOM 0 HB3 ASN A 59 8.052 13.503 3.497 1.00 21.43 H new ATOM 0 HD21 ASN A 59 7.439 14.317 5.591 1.00 10.50 H new ATOM 0 HD22 ASN A 59 8.196 13.683 7.057 1.00 10.50 H new ATOM 1015 N MET A 60 7.564 9.720 2.756 1.00 4.21 N ATOM 1016 CA MET A 60 7.816 8.305 2.673 1.00 73.42 C ATOM 1017 C MET A 60 8.746 7.799 3.762 1.00 72.32 C ATOM 1018 O MET A 60 8.474 6.707 4.235 1.00 24.00 O ATOM 1019 CB MET A 60 8.207 7.868 1.252 1.00 1.12 C ATOM 1020 CG MET A 60 7.113 8.232 0.233 1.00 25.34 C ATOM 1021 SD MET A 60 7.404 7.748 -1.487 1.00 53.25 S ATOM 1022 CE MET A 60 7.346 5.950 -1.349 1.00 23.41 C ATOM 0 H MET A 60 7.853 10.249 1.933 1.00 4.21 H new ATOM 0 HA MET A 60 6.869 7.805 2.878 1.00 73.42 H new ATOM 0 HB2 MET A 60 9.145 8.345 0.968 1.00 1.12 H new ATOM 0 HB3 MET A 60 8.379 6.792 1.235 1.00 1.12 H new ATOM 0 HG2 MET A 60 6.179 7.776 0.561 1.00 25.34 H new ATOM 0 HG3 MET A 60 6.968 9.312 0.262 1.00 25.34 H new ATOM 0 HE1 MET A 60 6.742 5.542 -2.160 1.00 23.41 H new ATOM 0 HE2 MET A 60 8.357 5.547 -1.412 1.00 23.41 H new ATOM 0 HE3 MET A 60 6.904 5.673 -0.392 1.00 23.41 H new ATOM 1032 N SER A 61 9.714 8.565 4.278 1.00 50.54 N ATOM 1033 CA SER A 61 10.594 8.066 5.340 1.00 51.45 C ATOM 1034 C SER A 61 9.781 7.562 6.538 1.00 32.10 C ATOM 1035 O SER A 61 10.029 6.472 7.049 1.00 10.34 O ATOM 1036 CB SER A 61 11.555 9.158 5.822 1.00 50.33 C ATOM 1037 OG SER A 61 12.305 9.696 4.751 1.00 34.13 O ATOM 0 H SER A 61 9.906 9.522 3.982 1.00 50.54 H new ATOM 0 HA SER A 61 11.167 7.241 4.916 1.00 51.45 H new ATOM 0 HB2 SER A 61 10.990 9.953 6.308 1.00 50.33 H new ATOM 0 HB3 SER A 61 12.231 8.745 6.570 1.00 50.33 H new ATOM 0 HG SER A 61 12.907 10.391 5.090 1.00 34.13 H new ATOM 1043 N GLU A 62 8.813 8.362 6.992 1.00 23.30 N ATOM 1044 CA GLU A 62 7.960 8.031 8.124 1.00 42.21 C ATOM 1045 C GLU A 62 7.011 6.903 7.733 1.00 3.30 C ATOM 1046 O GLU A 62 6.791 5.994 8.538 1.00 44.11 O ATOM 1047 CB GLU A 62 7.193 9.267 8.578 1.00 2.34 C ATOM 1048 CG GLU A 62 8.094 10.437 8.969 1.00 10.33 C ATOM 1049 CD GLU A 62 8.701 10.245 10.362 1.00 61.02 C ATOM 1050 OE1 GLU A 62 9.570 9.363 10.527 1.00 5.12 O ATOM 1051 OE2 GLU A 62 8.284 10.944 11.319 1.00 25.01 O ATOM 0 H GLU A 62 8.601 9.268 6.575 1.00 23.30 H new ATOM 0 HA GLU A 62 8.572 7.692 8.959 1.00 42.21 H new ATOM 0 HB2 GLU A 62 6.526 9.585 7.777 1.00 2.34 H new ATOM 0 HB3 GLU A 62 6.565 9.003 9.429 1.00 2.34 H new ATOM 0 HG2 GLU A 62 8.893 10.542 8.235 1.00 10.33 H new ATOM 0 HG3 GLU A 62 7.518 11.362 8.947 1.00 10.33 H new ATOM 1058 N LEU A 63 6.451 6.941 6.513 1.00 34.43 N ATOM 1059 CA LEU A 63 5.562 5.855 6.074 1.00 43.13 C ATOM 1060 C LEU A 63 6.335 4.530 6.153 1.00 34.31 C ATOM 1061 O LEU A 63 5.883 3.587 6.808 1.00 23.13 O ATOM 1062 CB LEU A 63 4.970 6.152 4.678 1.00 11.31 C ATOM 1063 CG LEU A 63 4.958 5.017 3.625 1.00 64.13 C ATOM 1064 CD1 LEU A 63 4.320 3.702 4.100 1.00 53.44 C ATOM 1065 CD2 LEU A 63 4.184 5.519 2.409 1.00 64.22 C ATOM 0 H LEU A 63 6.592 7.687 5.832 1.00 34.43 H new ATOM 0 HA LEU A 63 4.698 5.774 6.734 1.00 43.13 H new ATOM 0 HB2 LEU A 63 3.942 6.486 4.818 1.00 11.31 H new ATOM 0 HB3 LEU A 63 5.523 6.991 4.255 1.00 11.31 H new ATOM 0 HG LEU A 63 6.000 4.782 3.406 1.00 64.13 H new ATOM 0 HD11 LEU A 63 4.358 2.968 3.295 1.00 53.44 H new ATOM 0 HD12 LEU A 63 4.867 3.323 4.963 1.00 53.44 H new ATOM 0 HD13 LEU A 63 3.282 3.881 4.379 1.00 53.44 H new ATOM 0 HD21 LEU A 63 4.158 4.740 1.647 1.00 64.22 H new ATOM 0 HD22 LEU A 63 3.166 5.772 2.705 1.00 64.22 H new ATOM 0 HD23 LEU A 63 4.675 6.405 2.005 1.00 64.22 H new ATOM 1077 N ILE A 64 7.500 4.484 5.509 1.00 61.33 N ATOM 1078 CA ILE A 64 8.423 3.363 5.436 1.00 53.50 C ATOM 1079 C ILE A 64 8.672 2.904 6.872 1.00 1.45 C ATOM 1080 O ILE A 64 8.502 1.728 7.184 1.00 44.13 O ATOM 1081 CB ILE A 64 9.702 3.804 4.668 1.00 24.24 C ATOM 1082 CG1 ILE A 64 9.448 3.943 3.146 1.00 64.14 C ATOM 1083 CG2 ILE A 64 10.854 2.816 4.883 1.00 41.42 C ATOM 1084 CD1 ILE A 64 10.489 4.807 2.422 1.00 63.01 C ATOM 0 H ILE A 64 7.844 5.290 4.988 1.00 61.33 H new ATOM 0 HA ILE A 64 8.029 2.514 4.877 1.00 53.50 H new ATOM 0 HB ILE A 64 9.975 4.779 5.073 1.00 24.24 H new ATOM 0 HG12 ILE A 64 9.437 2.950 2.696 1.00 64.14 H new ATOM 0 HG13 ILE A 64 8.459 4.374 2.990 1.00 64.14 H new ATOM 0 HG21 ILE A 64 11.732 3.155 4.332 1.00 41.42 H new ATOM 0 HG22 ILE A 64 11.092 2.760 5.945 1.00 41.42 H new ATOM 0 HG23 ILE A 64 10.559 1.830 4.524 1.00 41.42 H new ATOM 0 HD11 ILE A 64 10.245 4.858 1.361 1.00 63.01 H new ATOM 0 HD12 ILE A 64 10.485 5.812 2.844 1.00 63.01 H new ATOM 0 HD13 ILE A 64 11.478 4.366 2.546 1.00 63.01 H new ATOM 1096 N LYS A 65 9.026 3.827 7.769 1.00 11.14 N ATOM 1097 CA LYS A 65 9.285 3.551 9.174 1.00 33.25 C ATOM 1098 C LYS A 65 8.086 2.860 9.835 1.00 63.44 C ATOM 1099 O LYS A 65 8.293 1.818 10.455 1.00 51.24 O ATOM 1100 CB LYS A 65 9.669 4.888 9.822 1.00 25.34 C ATOM 1101 CG LYS A 65 9.793 4.887 11.348 1.00 43.50 C ATOM 1102 CD LYS A 65 9.041 6.085 11.969 1.00 3.14 C ATOM 1103 CE LYS A 65 7.635 5.668 12.408 1.00 24.30 C ATOM 1104 NZ LYS A 65 7.041 6.647 13.338 1.00 31.01 N ATOM 0 H LYS A 65 9.142 4.811 7.527 1.00 11.14 H new ATOM 0 HA LYS A 65 10.105 2.845 9.304 1.00 33.25 H new ATOM 0 HB2 LYS A 65 10.621 5.212 9.401 1.00 25.34 H new ATOM 0 HB3 LYS A 65 8.925 5.632 9.539 1.00 25.34 H new ATOM 0 HG2 LYS A 65 9.392 3.956 11.748 1.00 43.50 H new ATOM 0 HG3 LYS A 65 10.845 4.928 11.630 1.00 43.50 H new ATOM 0 HD2 LYS A 65 9.597 6.466 12.825 1.00 3.14 H new ATOM 0 HD3 LYS A 65 8.976 6.896 11.244 1.00 3.14 H new ATOM 0 HE2 LYS A 65 6.996 5.565 11.531 1.00 24.30 H new ATOM 0 HE3 LYS A 65 7.679 4.690 12.888 1.00 24.30 H new ATOM 0 HZ1 LYS A 65 6.089 6.331 13.613 1.00 31.01 H new ATOM 0 HZ2 LYS A 65 7.638 6.727 14.186 1.00 31.01 H new ATOM 0 HZ3 LYS A 65 6.976 7.574 12.871 1.00 31.01 H new ATOM 1118 N ILE A 66 6.856 3.378 9.728 1.00 13.14 N ATOM 1119 CA ILE A 66 5.683 2.731 10.336 1.00 45.32 C ATOM 1120 C ILE A 66 5.556 1.313 9.746 1.00 71.11 C ATOM 1121 O ILE A 66 5.319 0.353 10.483 1.00 73.30 O ATOM 1122 CB ILE A 66 4.409 3.617 10.190 1.00 24.24 C ATOM 1123 CG1 ILE A 66 4.342 4.727 11.279 1.00 61.42 C ATOM 1124 CG2 ILE A 66 3.118 2.782 10.299 1.00 32.30 C ATOM 1125 CD1 ILE A 66 4.307 6.167 10.753 1.00 74.05 C ATOM 0 H ILE A 66 6.646 4.242 9.227 1.00 13.14 H new ATOM 0 HA ILE A 66 5.807 2.624 11.414 1.00 45.32 H new ATOM 0 HB ILE A 66 4.481 4.071 9.202 1.00 24.24 H new ATOM 0 HG12 ILE A 66 3.454 4.560 11.889 1.00 61.42 H new ATOM 0 HG13 ILE A 66 5.205 4.620 11.936 1.00 61.42 H new ATOM 0 HG21 ILE A 66 2.252 3.435 10.192 1.00 32.30 H new ATOM 0 HG22 ILE A 66 3.104 2.029 9.511 1.00 32.30 H new ATOM 0 HG23 ILE A 66 3.084 2.290 11.271 1.00 32.30 H new ATOM 0 HD11 ILE A 66 4.261 6.860 11.593 1.00 74.05 H new ATOM 0 HD12 ILE A 66 5.207 6.363 10.170 1.00 74.05 H new ATOM 0 HD13 ILE A 66 3.429 6.303 10.122 1.00 74.05 H new ATOM 1137 N ILE A 67 5.741 1.150 8.432 1.00 70.41 N ATOM 1138 CA ILE A 67 5.666 -0.151 7.772 1.00 21.01 C ATOM 1139 C ILE A 67 6.749 -1.073 8.361 1.00 34.31 C ATOM 1140 O ILE A 67 6.430 -2.212 8.698 1.00 42.53 O ATOM 1141 CB ILE A 67 5.691 0.037 6.233 1.00 65.20 C ATOM 1142 CG1 ILE A 67 4.262 0.063 5.637 1.00 33.15 C ATOM 1143 CG2 ILE A 67 6.477 -1.056 5.491 1.00 11.53 C ATOM 1144 CD1 ILE A 67 3.276 1.022 6.319 1.00 53.41 C ATOM 0 H ILE A 67 5.947 1.921 7.797 1.00 70.41 H new ATOM 0 HA ILE A 67 4.720 -0.657 7.966 1.00 21.01 H new ATOM 0 HB ILE A 67 6.193 0.994 6.086 1.00 65.20 H new ATOM 0 HG12 ILE A 67 4.332 0.332 4.583 1.00 33.15 H new ATOM 0 HG13 ILE A 67 3.850 -0.945 5.682 1.00 33.15 H new ATOM 0 HG21 ILE A 67 6.451 -0.859 4.419 1.00 11.53 H new ATOM 0 HG22 ILE A 67 7.511 -1.057 5.835 1.00 11.53 H new ATOM 0 HG23 ILE A 67 6.027 -2.028 5.692 1.00 11.53 H new ATOM 0 HD11 ILE A 67 2.307 0.961 5.823 1.00 53.41 H new ATOM 0 HD12 ILE A 67 3.165 0.745 7.367 1.00 53.41 H new ATOM 0 HD13 ILE A 67 3.655 2.042 6.251 1.00 53.41 H new ATOM 1156 N ARG A 68 8.003 -0.639 8.558 1.00 61.44 N ATOM 1157 CA ARG A 68 9.019 -1.506 9.139 1.00 72.43 C ATOM 1158 C ARG A 68 8.669 -1.840 10.576 1.00 52.30 C ATOM 1159 O ARG A 68 9.000 -2.932 11.027 1.00 14.52 O ATOM 1160 CB ARG A 68 10.370 -0.798 9.141 1.00 54.30 C ATOM 1161 CG ARG A 68 10.885 -0.553 7.725 1.00 34.34 C ATOM 1162 CD ARG A 68 12.117 0.337 7.796 1.00 70.01 C ATOM 1163 NE ARG A 68 13.347 -0.390 7.485 1.00 63.32 N ATOM 1164 CZ ARG A 68 14.554 0.198 7.511 1.00 30.41 C ATOM 1165 NH1 ARG A 68 14.670 1.477 7.851 1.00 34.23 N ATOM 1166 NH2 ARG A 68 15.649 -0.488 7.206 1.00 1.51 N ATOM 0 H ARG A 68 8.328 0.299 8.324 1.00 61.44 H new ATOM 0 HA ARG A 68 9.065 -2.417 8.542 1.00 72.43 H new ATOM 0 HB2 ARG A 68 10.281 0.154 9.665 1.00 54.30 H new ATOM 0 HB3 ARG A 68 11.094 -1.398 9.692 1.00 54.30 H new ATOM 0 HG2 ARG A 68 11.131 -1.500 7.244 1.00 34.34 H new ATOM 0 HG3 ARG A 68 10.112 -0.079 7.119 1.00 34.34 H new ATOM 0 HD2 ARG A 68 12.003 1.168 7.099 1.00 70.01 H new ATOM 0 HD3 ARG A 68 12.195 0.767 8.795 1.00 70.01 H new ATOM 0 HE ARG A 68 13.286 -1.378 7.240 1.00 63.32 H new ATOM 0 HH11 ARG A 68 13.840 2.017 8.094 1.00 34.23 H new ATOM 0 HH12 ARG A 68 15.589 1.919 7.869 1.00 34.23 H new ATOM 0 HH21 ARG A 68 15.579 -1.472 6.948 1.00 1.51 H new ATOM 0 HH22 ARG A 68 16.560 -0.031 7.229 1.00 1.51 H new ATOM 1180 N ARG A 69 7.998 -0.929 11.288 1.00 71.13 N ATOM 1181 CA ARG A 69 7.618 -1.123 12.675 1.00 53.23 C ATOM 1182 C ARG A 69 6.710 -2.334 12.805 1.00 45.54 C ATOM 1183 O ARG A 69 7.096 -3.322 13.422 1.00 5.34 O ATOM 1184 CB ARG A 69 6.889 0.134 13.195 1.00 52.43 C ATOM 1185 CG ARG A 69 7.101 0.281 14.707 1.00 43.24 C ATOM 1186 CD ARG A 69 8.207 1.307 15.008 1.00 4.54 C ATOM 1187 NE ARG A 69 7.633 2.634 15.247 1.00 53.50 N ATOM 1188 CZ ARG A 69 7.917 3.420 16.288 1.00 53.30 C ATOM 1189 NH1 ARG A 69 9.077 3.334 16.931 1.00 52.41 N ATOM 1190 NH2 ARG A 69 7.016 4.304 16.681 1.00 21.01 N ATOM 0 H ARG A 69 7.704 -0.030 10.906 1.00 71.13 H new ATOM 0 HA ARG A 69 8.517 -1.291 13.268 1.00 53.23 H new ATOM 0 HB2 ARG A 69 7.263 1.019 12.680 1.00 52.43 H new ATOM 0 HB3 ARG A 69 5.824 0.063 12.975 1.00 52.43 H new ATOM 0 HG2 ARG A 69 6.170 0.594 15.180 1.00 43.24 H new ATOM 0 HG3 ARG A 69 7.368 -0.685 15.137 1.00 43.24 H new ATOM 0 HD2 ARG A 69 8.776 0.989 15.881 1.00 4.54 H new ATOM 0 HD3 ARG A 69 8.905 1.353 14.172 1.00 4.54 H new ATOM 0 HE ARG A 69 6.963 2.985 14.563 1.00 53.50 H new ATOM 0 HH11 ARG A 69 9.777 2.655 16.632 1.00 52.41 H new ATOM 0 HH12 ARG A 69 9.268 3.947 17.723 1.00 52.41 H new ATOM 0 HH21 ARG A 69 6.124 4.376 16.191 1.00 21.01 H new ATOM 0 HH22 ARG A 69 7.213 4.914 17.474 1.00 21.01 H new ATOM 1204 N ARG A 70 5.558 -2.309 12.136 1.00 73.00 N ATOM 1205 CA ARG A 70 4.596 -3.407 12.196 1.00 44.51 C ATOM 1206 C ARG A 70 5.141 -4.683 11.570 1.00 32.14 C ATOM 1207 O ARG A 70 4.935 -5.763 12.118 1.00 31.45 O ATOM 1208 CB ARG A 70 3.258 -3.000 11.558 1.00 50.41 C ATOM 1209 CG ARG A 70 3.388 -2.301 10.190 1.00 34.14 C ATOM 1210 CD ARG A 70 2.633 -2.949 9.018 1.00 32.04 C ATOM 1211 NE ARG A 70 1.238 -3.286 9.325 1.00 32.01 N ATOM 1212 CZ ARG A 70 0.203 -2.447 9.371 1.00 45.21 C ATOM 1213 NH1 ARG A 70 0.393 -1.171 9.050 1.00 63.01 N ATOM 1214 NH2 ARG A 70 -1.000 -2.855 9.746 1.00 71.24 N ATOM 0 H ARG A 70 5.267 -1.533 11.541 1.00 73.00 H new ATOM 0 HA ARG A 70 4.419 -3.623 13.250 1.00 44.51 H new ATOM 0 HB2 ARG A 70 2.641 -3.891 11.439 1.00 50.41 H new ATOM 0 HB3 ARG A 70 2.731 -2.336 12.243 1.00 50.41 H new ATOM 0 HG2 ARG A 70 3.038 -1.274 10.296 1.00 34.14 H new ATOM 0 HG3 ARG A 70 4.445 -2.252 9.930 1.00 34.14 H new ATOM 0 HD2 ARG A 70 2.654 -2.270 8.165 1.00 32.04 H new ATOM 0 HD3 ARG A 70 3.158 -3.855 8.717 1.00 32.04 H new ATOM 0 HE ARG A 70 1.039 -4.266 9.524 1.00 32.01 H new ATOM 0 HH11 ARG A 70 1.320 -0.847 8.774 1.00 63.01 H new ATOM 0 HH12 ARG A 70 -0.388 -0.516 9.080 1.00 63.01 H new ATOM 0 HH21 ARG A 70 -1.150 -3.830 10.007 1.00 71.24 H new ATOM 0 HH22 ARG A 70 -1.777 -2.195 9.773 1.00 71.24 H new ATOM 1228 N LEU A 71 5.847 -4.572 10.442 1.00 1.42 N ATOM 1229 CA LEU A 71 6.446 -5.711 9.746 1.00 30.15 C ATOM 1230 C LEU A 71 7.628 -6.280 10.550 1.00 70.04 C ATOM 1231 O LEU A 71 8.124 -7.360 10.245 1.00 72.20 O ATOM 1232 CB LEU A 71 6.898 -5.220 8.359 1.00 34.11 C ATOM 1233 CG LEU A 71 7.284 -6.311 7.348 1.00 51.32 C ATOM 1234 CD1 LEU A 71 6.101 -7.243 7.058 1.00 13.15 C ATOM 1235 CD2 LEU A 71 7.746 -5.629 6.054 1.00 65.14 C ATOM 0 H LEU A 71 6.020 -3.678 9.982 1.00 1.42 H new ATOM 0 HA LEU A 71 5.722 -6.519 9.638 1.00 30.15 H new ATOM 0 HB2 LEU A 71 6.095 -4.622 7.928 1.00 34.11 H new ATOM 0 HB3 LEU A 71 7.753 -4.557 8.492 1.00 34.11 H new ATOM 0 HG LEU A 71 8.087 -6.919 7.765 1.00 51.32 H new ATOM 0 HD11 LEU A 71 6.405 -8.004 6.339 1.00 13.15 H new ATOM 0 HD12 LEU A 71 5.781 -7.724 7.983 1.00 13.15 H new ATOM 0 HD13 LEU A 71 5.274 -6.664 6.646 1.00 13.15 H new ATOM 0 HD21 LEU A 71 8.025 -6.387 5.322 1.00 65.14 H new ATOM 0 HD22 LEU A 71 6.935 -5.020 5.654 1.00 65.14 H new ATOM 0 HD23 LEU A 71 8.607 -4.994 6.265 1.00 65.14 H new ATOM 1247 N GLN A 72 8.049 -5.568 11.601 1.00 72.24 N ATOM 1248 CA GLN A 72 9.147 -5.868 12.499 1.00 5.14 C ATOM 1249 C GLN A 72 10.419 -6.179 11.712 1.00 64.44 C ATOM 1250 O GLN A 72 11.108 -7.178 11.935 1.00 41.41 O ATOM 1251 CB GLN A 72 8.733 -6.893 13.564 1.00 61.32 C ATOM 1252 CG GLN A 72 7.650 -6.401 14.545 1.00 34.34 C ATOM 1253 CD GLN A 72 8.143 -5.467 15.659 1.00 21.14 C ATOM 1254 OE1 GLN A 72 8.925 -4.438 15.388 1.00 1.55 O flip ATOM 1255 NE2 GLN A 72 7.754 -5.598 16.815 1.00 61.04 N flip ATOM 0 H GLN A 72 7.586 -4.697 11.858 1.00 72.24 H new ATOM 0 HA GLN A 72 9.405 -4.986 13.084 1.00 5.14 H new ATOM 0 HB2 GLN A 72 8.370 -7.790 13.063 1.00 61.32 H new ATOM 0 HB3 GLN A 72 9.616 -7.181 14.134 1.00 61.32 H new ATOM 0 HG2 GLN A 72 6.877 -5.884 13.976 1.00 34.34 H new ATOM 0 HG3 GLN A 72 7.179 -7.270 15.005 1.00 34.34 H new ATOM 0 HE21 GLN A 72 7.148 -6.380 17.064 1.00 61.04 H new ATOM 0 HE22 GLN A 72 8.036 -4.925 17.527 1.00 61.04 H new ATOM 1264 N LEU A 73 10.722 -5.283 10.770 1.00 65.03 N ATOM 1265 CA LEU A 73 11.882 -5.374 9.909 1.00 70.33 C ATOM 1266 C LEU A 73 13.148 -5.231 10.736 1.00 71.02 C ATOM 1267 O LEU A 73 13.175 -4.445 11.690 1.00 53.12 O ATOM 1268 CB LEU A 73 11.797 -4.305 8.799 1.00 10.51 C ATOM 1269 CG LEU A 73 12.095 -4.909 7.423 1.00 50.14 C ATOM 1270 CD1 LEU A 73 11.088 -6.026 7.112 1.00 24.35 C ATOM 1271 CD2 LEU A 73 12.011 -3.869 6.314 1.00 51.34 C ATOM 0 H LEU A 73 10.149 -4.459 10.588 1.00 65.03 H new ATOM 0 HA LEU A 73 11.908 -6.351 9.426 1.00 70.33 H new ATOM 0 HB2 LEU A 73 10.802 -3.859 8.795 1.00 10.51 H new ATOM 0 HB3 LEU A 73 12.505 -3.503 9.008 1.00 10.51 H new ATOM 0 HG LEU A 73 13.111 -5.302 7.460 1.00 50.14 H new ATOM 0 HD11 LEU A 73 11.306 -6.450 6.132 1.00 24.35 H new ATOM 0 HD12 LEU A 73 11.164 -6.806 7.870 1.00 24.35 H new ATOM 0 HD13 LEU A 73 10.078 -5.616 7.113 1.00 24.35 H new ATOM 0 HD21 LEU A 73 12.229 -4.340 5.356 1.00 51.34 H new ATOM 0 HD22 LEU A 73 11.008 -3.444 6.289 1.00 51.34 H new ATOM 0 HD23 LEU A 73 12.736 -3.077 6.502 1.00 51.34 H new ATOM 1283 N ASN A 74 14.194 -5.958 10.335 1.00 71.42 N ATOM 1284 CA ASN A 74 15.482 -5.973 10.990 1.00 43.44 C ATOM 1285 C ASN A 74 16.135 -4.608 10.945 1.00 44.14 C ATOM 1286 O ASN A 74 15.746 -3.735 10.164 1.00 13.52 O ATOM 1287 CB ASN A 74 16.424 -6.960 10.269 1.00 13.15 C ATOM 1288 CG ASN A 74 17.094 -7.921 11.228 1.00 33.11 C ATOM 1289 OD1 ASN A 74 17.367 -7.581 12.371 1.00 13.52 O ATOM 1290 ND2 ASN A 74 17.417 -9.104 10.741 1.00 25.34 N ATOM 0 H ASN A 74 14.155 -6.568 9.518 1.00 71.42 H new ATOM 0 HA ASN A 74 15.318 -6.270 12.026 1.00 43.44 H new ATOM 0 HB2 ASN A 74 15.857 -7.525 9.529 1.00 13.15 H new ATOM 0 HB3 ASN A 74 17.187 -6.401 9.727 1.00 13.15 H new ATOM 0 HD21 ASN A 74 17.914 -9.777 11.324 1.00 25.34 H new ATOM 0 HD22 ASN A 74 17.169 -9.345 9.781 1.00 25.34 H new ATOM 1297 N ALA A 75 17.181 -4.455 11.741 1.00 44.41 N ATOM 1298 CA ALA A 75 17.949 -3.228 11.791 1.00 71.33 C ATOM 1299 C ALA A 75 19.227 -3.426 10.981 1.00 63.12 C ATOM 1300 O ALA A 75 19.760 -2.460 10.441 1.00 72.31 O ATOM 1301 CB ALA A 75 18.267 -2.870 13.243 1.00 50.33 C ATOM 0 H ALA A 75 17.520 -5.182 12.371 1.00 44.41 H new ATOM 0 HA ALA A 75 17.377 -2.404 11.364 1.00 71.33 H new ATOM 0 HB1 ALA A 75 18.845 -1.946 13.272 1.00 50.33 H new ATOM 0 HB2 ALA A 75 17.338 -2.734 13.796 1.00 50.33 H new ATOM 0 HB3 ALA A 75 18.846 -3.674 13.698 1.00 50.33 H new ATOM 1307 N ASN A 76 19.720 -4.669 10.871 1.00 4.24 N ATOM 1308 CA ASN A 76 20.963 -4.918 10.132 1.00 73.21 C ATOM 1309 C ASN A 76 20.732 -5.033 8.642 1.00 62.11 C ATOM 1310 O ASN A 76 21.688 -4.934 7.874 1.00 3.15 O ATOM 1311 CB ASN A 76 21.678 -6.183 10.614 1.00 41.50 C ATOM 1312 CG ASN A 76 20.888 -7.449 10.332 1.00 14.32 C ATOM 1313 OD1 ASN A 76 20.132 -7.896 11.311 1.00 50.34 O flip ATOM 1314 ND2 ASN A 76 20.914 -7.998 9.232 1.00 25.12 N flip ATOM 0 H ASN A 76 19.287 -5.500 11.275 1.00 4.24 H new ATOM 0 HA ASN A 76 21.593 -4.051 10.329 1.00 73.21 H new ATOM 0 HB2 ASN A 76 22.652 -6.252 10.129 1.00 41.50 H new ATOM 0 HB3 ASN A 76 21.861 -6.105 11.686 1.00 41.50 H new ATOM 0 HD21 ASN A 76 21.510 -7.629 8.492 1.00 25.12 H new ATOM 0 HD22 ASN A 76 20.339 -8.823 9.060 1.00 25.12 H new ATOM 1321 N GLN A 77 19.489 -5.280 8.236 1.00 25.05 N ATOM 1322 CA GLN A 77 19.150 -5.397 6.835 1.00 65.14 C ATOM 1323 C GLN A 77 18.396 -4.144 6.430 1.00 11.33 C ATOM 1324 O GLN A 77 17.740 -3.511 7.264 1.00 5.13 O ATOM 1325 CB GLN A 77 18.403 -6.707 6.580 1.00 64.21 C ATOM 1326 CG GLN A 77 16.875 -6.629 6.563 1.00 31.01 C ATOM 1327 CD GLN A 77 16.338 -8.029 6.330 1.00 22.31 C ATOM 1328 OE1 GLN A 77 15.778 -8.641 7.232 1.00 11.21 O ATOM 1329 NE2 GLN A 77 16.554 -8.556 5.135 1.00 62.10 N ATOM 0 H GLN A 77 18.699 -5.403 8.870 1.00 25.05 H new ATOM 0 HA GLN A 77 20.036 -5.456 6.203 1.00 65.14 H new ATOM 0 HB2 GLN A 77 18.735 -7.108 5.622 1.00 64.21 H new ATOM 0 HB3 GLN A 77 18.700 -7.424 7.346 1.00 64.21 H new ATOM 0 HG2 GLN A 77 16.503 -6.230 7.507 1.00 31.01 H new ATOM 0 HG3 GLN A 77 16.536 -5.955 5.776 1.00 31.01 H new ATOM 0 HE21 GLN A 77 17.024 -8.009 4.414 1.00 62.10 H new ATOM 0 HE22 GLN A 77 16.250 -9.509 4.935 1.00 62.10 H new ATOM 1338 N ALA A 78 18.499 -3.785 5.161 1.00 11.52 N ATOM 1339 CA ALA A 78 17.842 -2.624 4.595 1.00 72.33 C ATOM 1340 C ALA A 78 16.893 -3.111 3.517 1.00 74.01 C ATOM 1341 O ALA A 78 16.973 -4.251 3.045 1.00 45.32 O ATOM 1342 CB ALA A 78 18.872 -1.631 4.047 1.00 74.10 C ATOM 0 H ALA A 78 19.055 -4.306 4.483 1.00 11.52 H new ATOM 0 HA ALA A 78 17.278 -2.089 5.359 1.00 72.33 H new ATOM 0 HB1 ALA A 78 18.357 -0.767 3.627 1.00 74.10 H new ATOM 0 HB2 ALA A 78 19.528 -1.305 4.854 1.00 74.10 H new ATOM 0 HB3 ALA A 78 19.465 -2.113 3.270 1.00 74.10 H new ATOM 1348 N PHE A 79 15.950 -2.254 3.161 1.00 62.33 N ATOM 1349 CA PHE A 79 14.981 -2.561 2.134 1.00 45.22 C ATOM 1350 C PHE A 79 14.665 -1.287 1.375 1.00 25.34 C ATOM 1351 O PHE A 79 15.007 -0.193 1.833 1.00 2.33 O ATOM 1352 CB PHE A 79 13.784 -3.308 2.731 1.00 30.33 C ATOM 1353 CG PHE A 79 12.608 -2.517 3.250 1.00 43.10 C ATOM 1354 CD1 PHE A 79 12.797 -1.334 3.979 1.00 34.31 C ATOM 1355 CD2 PHE A 79 11.313 -3.042 3.095 1.00 42.33 C ATOM 1356 CE1 PHE A 79 11.692 -0.654 4.498 1.00 5.25 C ATOM 1357 CE2 PHE A 79 10.207 -2.379 3.654 1.00 10.41 C ATOM 1358 CZ PHE A 79 10.396 -1.170 4.340 1.00 2.53 C ATOM 0 H PHE A 79 15.839 -1.330 3.577 1.00 62.33 H new ATOM 0 HA PHE A 79 15.375 -3.258 1.394 1.00 45.22 H new ATOM 0 HB2 PHE A 79 13.409 -3.991 1.968 1.00 30.33 H new ATOM 0 HB3 PHE A 79 14.156 -3.921 3.552 1.00 30.33 H new ATOM 0 HD1 PHE A 79 13.794 -0.950 4.139 1.00 34.31 H new ATOM 0 HD2 PHE A 79 11.167 -3.959 2.544 1.00 42.33 H new ATOM 0 HE1 PHE A 79 11.836 0.277 5.026 1.00 5.25 H new ATOM 0 HE2 PHE A 79 9.217 -2.798 3.556 1.00 10.41 H new ATOM 0 HZ PHE A 79 9.548 -0.638 4.745 1.00 2.53 H new ATOM 1368 N PHE A 80 14.038 -1.440 0.221 1.00 74.33 N ATOM 1369 CA PHE A 80 13.683 -0.345 -0.650 1.00 52.13 C ATOM 1370 C PHE A 80 12.219 -0.498 -1.039 1.00 53.13 C ATOM 1371 O PHE A 80 11.608 -1.573 -0.897 1.00 43.53 O ATOM 1372 CB PHE A 80 14.676 -0.330 -1.832 1.00 31.11 C ATOM 1373 CG PHE A 80 16.129 -0.124 -1.407 1.00 44.43 C ATOM 1374 CD1 PHE A 80 16.901 -1.214 -0.956 1.00 33.44 C ATOM 1375 CD2 PHE A 80 16.709 1.161 -1.425 1.00 41.30 C ATOM 1376 CE1 PHE A 80 18.218 -1.024 -0.500 1.00 50.32 C ATOM 1377 CE2 PHE A 80 18.033 1.352 -0.986 1.00 52.31 C ATOM 1378 CZ PHE A 80 18.784 0.263 -0.513 1.00 71.22 C ATOM 0 H PHE A 80 13.758 -2.352 -0.140 1.00 74.33 H new ATOM 0 HA PHE A 80 13.766 0.630 -0.170 1.00 52.13 H new ATOM 0 HB2 PHE A 80 14.595 -1.271 -2.376 1.00 31.11 H new ATOM 0 HB3 PHE A 80 14.393 0.463 -2.524 1.00 31.11 H new ATOM 0 HD1 PHE A 80 16.476 -2.207 -0.961 1.00 33.44 H new ATOM 0 HD2 PHE A 80 16.134 2.004 -1.778 1.00 41.30 H new ATOM 0 HE1 PHE A 80 18.793 -1.865 -0.141 1.00 50.32 H new ATOM 0 HE2 PHE A 80 18.472 2.338 -1.013 1.00 52.31 H new ATOM 0 HZ PHE A 80 19.794 0.414 -0.160 1.00 71.22 H new ATOM 1388 N LEU A 81 11.650 0.619 -1.483 1.00 62.21 N ATOM 1389 CA LEU A 81 10.273 0.779 -1.902 1.00 30.03 C ATOM 1390 C LEU A 81 10.316 1.242 -3.343 1.00 64.13 C ATOM 1391 O LEU A 81 10.914 2.266 -3.678 1.00 33.44 O ATOM 1392 CB LEU A 81 9.591 1.813 -0.990 1.00 52.53 C ATOM 1393 CG LEU A 81 8.092 2.033 -1.262 1.00 22.33 C ATOM 1394 CD1 LEU A 81 7.311 0.720 -1.403 1.00 21.14 C ATOM 1395 CD2 LEU A 81 7.505 2.822 -0.087 1.00 1.23 C ATOM 0 H LEU A 81 12.178 1.488 -1.562 1.00 62.21 H new ATOM 0 HA LEU A 81 9.702 -0.146 -1.828 1.00 30.03 H new ATOM 0 HB2 LEU A 81 9.714 1.498 0.046 1.00 52.53 H new ATOM 0 HB3 LEU A 81 10.108 2.767 -1.097 1.00 52.53 H new ATOM 0 HG LEU A 81 8.001 2.570 -2.206 1.00 22.33 H new ATOM 0 HD11 LEU A 81 6.261 0.940 -1.594 1.00 21.14 H new ATOM 0 HD12 LEU A 81 7.717 0.142 -2.233 1.00 21.14 H new ATOM 0 HD13 LEU A 81 7.400 0.143 -0.482 1.00 21.14 H new ATOM 0 HD21 LEU A 81 6.442 2.991 -0.257 1.00 1.23 H new ATOM 0 HD22 LEU A 81 7.640 2.256 0.835 1.00 1.23 H new ATOM 0 HD23 LEU A 81 8.015 3.781 -0.002 1.00 1.23 H new ATOM 1407 N LEU A 82 9.723 0.446 -4.210 1.00 30.24 N ATOM 1408 CA LEU A 82 9.653 0.683 -5.633 1.00 54.44 C ATOM 1409 C LEU A 82 8.245 1.165 -5.956 1.00 23.45 C ATOM 1410 O LEU A 82 7.261 0.561 -5.525 1.00 43.41 O ATOM 1411 CB LEU A 82 10.060 -0.594 -6.373 1.00 52.53 C ATOM 1412 CG LEU A 82 11.485 -1.058 -5.998 1.00 65.31 C ATOM 1413 CD1 LEU A 82 11.550 -2.149 -4.928 1.00 64.11 C ATOM 1414 CD2 LEU A 82 12.242 -1.530 -7.243 1.00 32.12 C ATOM 0 H LEU A 82 9.259 -0.418 -3.928 1.00 30.24 H new ATOM 0 HA LEU A 82 10.346 1.457 -5.962 1.00 54.44 H new ATOM 0 HB2 LEU A 82 9.349 -1.387 -6.142 1.00 52.53 H new ATOM 0 HB3 LEU A 82 10.007 -0.421 -7.448 1.00 52.53 H new ATOM 0 HG LEU A 82 11.956 -0.177 -5.563 1.00 65.31 H new ATOM 0 HD11 LEU A 82 12.591 -2.407 -4.734 1.00 64.11 H new ATOM 0 HD12 LEU A 82 11.089 -1.786 -4.010 1.00 64.11 H new ATOM 0 HD13 LEU A 82 11.016 -3.033 -5.277 1.00 64.11 H new ATOM 0 HD21 LEU A 82 13.244 -1.853 -6.959 1.00 32.12 H new ATOM 0 HD22 LEU A 82 11.708 -2.363 -7.700 1.00 32.12 H new ATOM 0 HD23 LEU A 82 12.314 -0.710 -7.958 1.00 32.12 H new ATOM 1426 N VAL A 83 8.147 2.286 -6.660 1.00 25.21 N ATOM 1427 CA VAL A 83 6.881 2.902 -7.048 1.00 11.45 C ATOM 1428 C VAL A 83 6.579 2.394 -8.445 1.00 22.34 C ATOM 1429 O VAL A 83 7.431 2.459 -9.325 1.00 71.40 O ATOM 1430 CB VAL A 83 6.968 4.433 -6.935 1.00 3.44 C ATOM 1431 CG1 VAL A 83 5.664 5.084 -7.409 1.00 2.32 C ATOM 1432 CG2 VAL A 83 7.175 4.834 -5.463 1.00 74.44 C ATOM 0 H VAL A 83 8.963 2.805 -6.985 1.00 25.21 H new ATOM 0 HA VAL A 83 6.058 2.630 -6.387 1.00 11.45 H new ATOM 0 HB VAL A 83 7.801 4.768 -7.553 1.00 3.44 H new ATOM 0 HG11 VAL A 83 5.745 6.167 -7.321 1.00 2.32 H new ATOM 0 HG12 VAL A 83 5.481 4.817 -8.450 1.00 2.32 H new ATOM 0 HG13 VAL A 83 4.837 4.731 -6.793 1.00 2.32 H new ATOM 0 HG21 VAL A 83 7.236 5.920 -5.387 1.00 74.44 H new ATOM 0 HG22 VAL A 83 6.336 4.475 -4.867 1.00 74.44 H new ATOM 0 HG23 VAL A 83 8.099 4.392 -5.092 1.00 74.44 H new ATOM 1442 N ASN A 84 5.413 1.771 -8.619 1.00 31.11 N ATOM 1443 CA ASN A 84 4.918 1.158 -9.852 1.00 30.32 C ATOM 1444 C ASN A 84 5.860 0.047 -10.366 1.00 71.30 C ATOM 1445 O ASN A 84 5.566 -0.599 -11.376 1.00 4.54 O ATOM 1446 CB ASN A 84 4.546 2.214 -10.917 1.00 10.22 C ATOM 1447 CG ASN A 84 3.168 2.851 -10.705 1.00 45.43 C ATOM 1448 OD1 ASN A 84 2.466 2.598 -9.734 1.00 11.31 O ATOM 1449 ND2 ASN A 84 2.737 3.686 -11.631 1.00 51.22 N ATOM 0 H ASN A 84 4.746 1.675 -7.853 1.00 31.11 H new ATOM 0 HA ASN A 84 3.982 0.651 -9.615 1.00 30.32 H new ATOM 0 HB2 ASN A 84 5.302 2.999 -10.916 1.00 10.22 H new ATOM 0 HB3 ASN A 84 4.572 1.747 -11.902 1.00 10.22 H new ATOM 0 HD21 ASN A 84 1.819 4.121 -11.538 1.00 51.22 H new ATOM 0 HD22 ASN A 84 3.322 3.897 -12.440 1.00 51.22 H new ATOM 1456 N GLY A 85 6.928 -0.269 -9.622 1.00 62.13 N ATOM 1457 CA GLY A 85 7.953 -1.261 -9.904 1.00 70.22 C ATOM 1458 C GLY A 85 9.349 -0.643 -10.037 1.00 63.43 C ATOM 1459 O GLY A 85 10.287 -1.397 -10.278 1.00 71.31 O ATOM 0 H GLY A 85 7.104 0.206 -8.737 1.00 62.13 H new ATOM 0 HA2 GLY A 85 7.963 -2.005 -9.107 1.00 70.22 H new ATOM 0 HA3 GLY A 85 7.702 -1.785 -10.826 1.00 70.22 H new ATOM 1463 N HIS A 86 9.520 0.662 -9.780 1.00 53.50 N ATOM 1464 CA HIS A 86 10.773 1.402 -9.917 1.00 33.05 C ATOM 1465 C HIS A 86 11.174 2.209 -8.664 1.00 53.21 C ATOM 1466 O HIS A 86 10.420 3.058 -8.189 1.00 13.45 O ATOM 1467 CB HIS A 86 10.573 2.357 -11.114 1.00 30.21 C ATOM 1468 CG HIS A 86 9.935 1.700 -12.322 1.00 12.25 C ATOM 1469 ND1 HIS A 86 10.587 0.910 -13.238 1.00 10.03 N ATOM 1470 CD2 HIS A 86 8.591 1.652 -12.616 1.00 61.22 C ATOM 1471 CE1 HIS A 86 9.671 0.418 -14.082 1.00 14.04 C ATOM 1472 NE2 HIS A 86 8.435 0.816 -13.734 1.00 10.33 N ATOM 0 H HIS A 86 8.753 1.252 -9.457 1.00 53.50 H new ATOM 0 HA HIS A 86 11.587 0.691 -10.063 1.00 33.05 H new ATOM 0 HB2 HIS A 86 9.952 3.195 -10.798 1.00 30.21 H new ATOM 0 HB3 HIS A 86 11.540 2.768 -11.404 1.00 30.21 H new ATOM 0 HD2 HIS A 86 7.802 2.163 -12.085 1.00 61.22 H new ATOM 0 HE1 HIS A 86 9.895 -0.214 -14.929 1.00 14.04 H new ATOM 0 HE2 HIS A 86 7.559 0.562 -14.191 1.00 10.33 H new ATOM 1480 N SER A 87 12.339 1.935 -8.071 1.00 24.44 N ATOM 1481 CA SER A 87 12.851 2.654 -6.902 1.00 64.34 C ATOM 1482 C SER A 87 13.635 3.856 -7.426 1.00 63.13 C ATOM 1483 O SER A 87 14.824 3.744 -7.737 1.00 14.25 O ATOM 1484 CB SER A 87 13.740 1.773 -6.003 1.00 61.23 C ATOM 1485 OG SER A 87 13.448 1.985 -4.631 1.00 70.40 O ATOM 0 H SER A 87 12.963 1.196 -8.395 1.00 24.44 H new ATOM 0 HA SER A 87 12.016 2.965 -6.274 1.00 64.34 H new ATOM 0 HB2 SER A 87 13.587 0.723 -6.252 1.00 61.23 H new ATOM 0 HB3 SER A 87 14.790 1.997 -6.193 1.00 61.23 H new ATOM 0 HG SER A 87 12.478 1.948 -4.493 1.00 70.40 H new ATOM 1491 N MET A 88 12.973 5.001 -7.571 1.00 5.13 N ATOM 1492 CA MET A 88 13.626 6.226 -8.047 1.00 4.34 C ATOM 1493 C MET A 88 13.300 7.458 -7.216 1.00 53.12 C ATOM 1494 O MET A 88 14.055 8.427 -7.189 1.00 62.14 O ATOM 1495 CB MET A 88 13.371 6.419 -9.545 1.00 3.33 C ATOM 1496 CG MET A 88 11.884 6.475 -9.897 1.00 73.02 C ATOM 1497 SD MET A 88 11.576 6.403 -11.674 1.00 41.44 S ATOM 1498 CE MET A 88 9.772 6.444 -11.594 1.00 3.14 C ATOM 0 H MET A 88 11.980 5.110 -7.366 1.00 5.13 H new ATOM 0 HA MET A 88 14.699 6.095 -7.907 1.00 4.34 H new ATOM 0 HB2 MET A 88 13.851 7.341 -9.874 1.00 3.33 H new ATOM 0 HB3 MET A 88 13.838 5.602 -10.095 1.00 3.33 H new ATOM 0 HG2 MET A 88 11.370 5.646 -9.411 1.00 73.02 H new ATOM 0 HG3 MET A 88 11.456 7.394 -9.497 1.00 73.02 H new ATOM 0 HE1 MET A 88 9.368 6.622 -12.590 1.00 3.14 H new ATOM 0 HE2 MET A 88 9.403 5.490 -11.218 1.00 3.14 H new ATOM 0 HE3 MET A 88 9.456 7.245 -10.925 1.00 3.14 H new ATOM 1508 N VAL A 89 12.218 7.369 -6.468 1.00 41.53 N ATOM 1509 CA VAL A 89 11.722 8.417 -5.600 1.00 61.24 C ATOM 1510 C VAL A 89 12.617 8.509 -4.367 1.00 5.42 C ATOM 1511 O VAL A 89 13.145 7.496 -3.900 1.00 45.51 O ATOM 1512 CB VAL A 89 10.252 8.091 -5.262 1.00 23.31 C ATOM 1513 CG1 VAL A 89 10.058 6.693 -4.636 1.00 11.45 C ATOM 1514 CG2 VAL A 89 9.612 9.148 -4.361 1.00 14.11 C ATOM 0 H VAL A 89 11.638 6.531 -6.448 1.00 41.53 H new ATOM 0 HA VAL A 89 11.749 9.396 -6.079 1.00 61.24 H new ATOM 0 HB VAL A 89 9.744 8.095 -6.226 1.00 23.31 H new ATOM 0 HG11 VAL A 89 9.001 6.533 -4.425 1.00 11.45 H new ATOM 0 HG12 VAL A 89 10.409 5.931 -5.332 1.00 11.45 H new ATOM 0 HG13 VAL A 89 10.627 6.627 -3.709 1.00 11.45 H new ATOM 0 HG21 VAL A 89 8.578 8.871 -4.153 1.00 14.11 H new ATOM 0 HG22 VAL A 89 10.166 9.212 -3.424 1.00 14.11 H new ATOM 0 HG23 VAL A 89 9.635 10.116 -4.862 1.00 14.11 H new ATOM 1524 N SER A 90 12.802 9.717 -3.841 1.00 42.21 N ATOM 1525 CA SER A 90 13.615 9.956 -2.661 1.00 11.22 C ATOM 1526 C SER A 90 12.767 9.683 -1.409 1.00 63.21 C ATOM 1527 O SER A 90 11.557 9.919 -1.393 1.00 45.54 O ATOM 1528 CB SER A 90 14.207 11.362 -2.770 1.00 23.41 C ATOM 1529 OG SER A 90 15.204 11.317 -3.786 1.00 54.21 O ATOM 0 H SER A 90 12.386 10.563 -4.229 1.00 42.21 H new ATOM 0 HA SER A 90 14.465 9.279 -2.580 1.00 11.22 H new ATOM 0 HB2 SER A 90 13.433 12.088 -3.021 1.00 23.41 H new ATOM 0 HB3 SER A 90 14.639 11.673 -1.819 1.00 23.41 H new ATOM 0 HG SER A 90 15.608 12.204 -3.888 1.00 54.21 H new ATOM 1535 N VAL A 91 13.380 9.180 -0.336 1.00 53.44 N ATOM 1536 CA VAL A 91 12.681 8.837 0.910 1.00 4.15 C ATOM 1537 C VAL A 91 11.898 10.007 1.529 1.00 5.54 C ATOM 1538 O VAL A 91 10.769 9.840 1.991 1.00 5.31 O ATOM 1539 CB VAL A 91 13.661 8.187 1.914 1.00 25.45 C ATOM 1540 CG1 VAL A 91 14.223 6.863 1.374 1.00 24.13 C ATOM 1541 CG2 VAL A 91 14.841 9.094 2.299 1.00 74.10 C ATOM 0 H VAL A 91 14.383 8.997 -0.304 1.00 53.44 H new ATOM 0 HA VAL A 91 11.916 8.106 0.650 1.00 4.15 H new ATOM 0 HB VAL A 91 13.065 8.010 2.809 1.00 25.45 H new ATOM 0 HG11 VAL A 91 14.908 6.433 2.105 1.00 24.13 H new ATOM 0 HG12 VAL A 91 13.404 6.167 1.192 1.00 24.13 H new ATOM 0 HG13 VAL A 91 14.756 7.048 0.442 1.00 24.13 H new ATOM 0 HG21 VAL A 91 15.486 8.572 3.006 1.00 74.10 H new ATOM 0 HG22 VAL A 91 15.412 9.347 1.406 1.00 74.10 H new ATOM 0 HG23 VAL A 91 14.463 10.007 2.759 1.00 74.10 H new ATOM 1551 N SER A 92 12.443 11.217 1.480 1.00 52.41 N ATOM 1552 CA SER A 92 11.817 12.399 2.055 1.00 24.43 C ATOM 1553 C SER A 92 10.649 12.965 1.239 1.00 1.50 C ATOM 1554 O SER A 92 10.000 13.900 1.701 1.00 50.44 O ATOM 1555 CB SER A 92 12.916 13.453 2.205 1.00 50.23 C ATOM 1556 OG SER A 92 14.102 12.877 2.735 1.00 25.44 O ATOM 0 H SER A 92 13.341 11.406 1.035 1.00 52.41 H new ATOM 0 HA SER A 92 11.372 12.116 3.009 1.00 24.43 H new ATOM 0 HB2 SER A 92 13.128 13.904 1.235 1.00 50.23 H new ATOM 0 HB3 SER A 92 12.571 14.253 2.860 1.00 50.23 H new ATOM 0 HG SER A 92 14.791 13.568 2.821 1.00 25.44 H new ATOM 1562 N THR A 93 10.358 12.454 0.045 1.00 21.24 N ATOM 1563 CA THR A 93 9.279 12.972 -0.789 1.00 65.01 C ATOM 1564 C THR A 93 7.879 12.673 -0.211 1.00 50.35 C ATOM 1565 O THR A 93 7.668 11.566 0.294 1.00 22.10 O ATOM 1566 CB THR A 93 9.473 12.353 -2.182 1.00 52.54 C ATOM 1567 OG1 THR A 93 10.825 12.504 -2.607 1.00 11.10 O ATOM 1568 CG2 THR A 93 8.637 13.040 -3.252 1.00 52.33 C ATOM 0 H THR A 93 10.863 11.671 -0.370 1.00 21.24 H new ATOM 0 HA THR A 93 9.326 14.060 -0.834 1.00 65.01 H new ATOM 0 HB THR A 93 9.176 11.309 -2.079 1.00 52.54 H new ATOM 0 HG1 THR A 93 11.344 11.720 -2.331 1.00 11.10 H new ATOM 0 HG21 THR A 93 8.814 12.561 -4.215 1.00 52.33 H new ATOM 0 HG22 THR A 93 7.581 12.960 -2.996 1.00 52.33 H new ATOM 0 HG23 THR A 93 8.917 14.092 -3.313 1.00 52.33 H new ATOM 1576 N PRO A 94 6.907 13.611 -0.268 1.00 71.45 N ATOM 1577 CA PRO A 94 5.558 13.369 0.224 1.00 51.12 C ATOM 1578 C PRO A 94 4.807 12.412 -0.718 1.00 24.30 C ATOM 1579 O PRO A 94 4.870 12.511 -1.957 1.00 41.44 O ATOM 1580 CB PRO A 94 4.885 14.738 0.347 1.00 31.43 C ATOM 1581 CG PRO A 94 5.630 15.614 -0.654 1.00 31.11 C ATOM 1582 CD PRO A 94 7.011 14.964 -0.801 1.00 32.10 C ATOM 0 HA PRO A 94 5.560 12.878 1.197 1.00 51.12 H new ATOM 0 HB2 PRO A 94 3.822 14.681 0.113 1.00 31.43 H new ATOM 0 HB3 PRO A 94 4.967 15.132 1.360 1.00 31.43 H new ATOM 0 HG2 PRO A 94 5.108 15.652 -1.610 1.00 31.11 H new ATOM 0 HG3 PRO A 94 5.713 16.640 -0.295 1.00 31.11 H new ATOM 0 HD2 PRO A 94 7.318 14.943 -1.847 1.00 32.10 H new ATOM 0 HD3 PRO A 94 7.765 15.535 -0.259 1.00 32.10 H new ATOM 1590 N ILE A 95 4.045 11.489 -0.116 1.00 43.32 N ATOM 1591 CA ILE A 95 3.285 10.494 -0.865 1.00 51.33 C ATOM 1592 C ILE A 95 2.280 11.166 -1.820 1.00 11.40 C ATOM 1593 O ILE A 95 1.844 10.533 -2.772 1.00 10.50 O ATOM 1594 CB ILE A 95 2.674 9.464 0.121 1.00 31.33 C ATOM 1595 CG1 ILE A 95 2.194 8.134 -0.528 1.00 74.44 C ATOM 1596 CG2 ILE A 95 1.630 10.115 1.052 1.00 1.42 C ATOM 1597 CD1 ILE A 95 3.363 7.302 -1.068 1.00 24.22 C ATOM 0 H ILE A 95 3.942 11.416 0.896 1.00 43.32 H new ATOM 0 HA ILE A 95 3.941 9.927 -1.526 1.00 51.33 H new ATOM 0 HB ILE A 95 3.503 9.140 0.751 1.00 31.33 H new ATOM 0 HG12 ILE A 95 1.643 7.549 0.209 1.00 74.44 H new ATOM 0 HG13 ILE A 95 1.502 8.356 -1.340 1.00 74.44 H new ATOM 0 HG21 ILE A 95 1.225 9.362 1.728 1.00 1.42 H new ATOM 0 HG22 ILE A 95 2.104 10.906 1.633 1.00 1.42 H new ATOM 0 HG23 ILE A 95 0.823 10.538 0.454 1.00 1.42 H new ATOM 0 HD11 ILE A 95 2.981 6.383 -1.512 1.00 24.22 H new ATOM 0 HD12 ILE A 95 3.899 7.875 -1.825 1.00 24.22 H new ATOM 0 HD13 ILE A 95 4.042 7.056 -0.252 1.00 24.22 H new ATOM 1609 N SER A 96 1.917 12.433 -1.573 1.00 23.33 N ATOM 1610 CA SER A 96 1.007 13.221 -2.381 1.00 23.02 C ATOM 1611 C SER A 96 1.600 13.433 -3.773 1.00 5.10 C ATOM 1612 O SER A 96 0.979 13.004 -4.748 1.00 65.32 O ATOM 1613 CB SER A 96 0.709 14.516 -1.609 1.00 14.44 C ATOM 1614 OG SER A 96 0.363 15.614 -2.422 1.00 53.41 O ATOM 0 H SER A 96 2.271 12.948 -0.767 1.00 23.33 H new ATOM 0 HA SER A 96 0.057 12.715 -2.553 1.00 23.02 H new ATOM 0 HB2 SER A 96 -0.105 14.328 -0.909 1.00 14.44 H new ATOM 0 HB3 SER A 96 1.585 14.780 -1.016 1.00 14.44 H new ATOM 0 HG SER A 96 0.187 16.396 -1.858 1.00 53.41 H new ATOM 1620 N GLU A 97 2.777 14.059 -3.881 1.00 72.04 N ATOM 1621 CA GLU A 97 3.379 14.281 -5.192 1.00 63.01 C ATOM 1622 C GLU A 97 3.767 12.938 -5.806 1.00 42.31 C ATOM 1623 O GLU A 97 3.678 12.778 -7.025 1.00 53.14 O ATOM 1624 CB GLU A 97 4.511 15.319 -5.147 1.00 54.53 C ATOM 1625 CG GLU A 97 5.780 14.901 -4.399 1.00 73.24 C ATOM 1626 CD GLU A 97 6.761 16.068 -4.235 1.00 24.21 C ATOM 1627 OE1 GLU A 97 6.441 17.076 -3.565 1.00 41.33 O ATOM 1628 OE2 GLU A 97 7.905 15.972 -4.738 1.00 50.32 O ATOM 0 H GLU A 97 3.319 14.413 -3.093 1.00 72.04 H new ATOM 0 HA GLU A 97 2.645 14.733 -5.859 1.00 63.01 H new ATOM 0 HB2 GLU A 97 4.785 15.573 -6.171 1.00 54.53 H new ATOM 0 HB3 GLU A 97 4.125 16.228 -4.686 1.00 54.53 H new ATOM 0 HG2 GLU A 97 5.511 14.513 -3.417 1.00 73.24 H new ATOM 0 HG3 GLU A 97 6.269 14.090 -4.939 1.00 73.24 H new ATOM 1635 N VAL A 98 4.143 11.946 -4.989 1.00 5.31 N ATOM 1636 CA VAL A 98 4.486 10.628 -5.539 1.00 41.12 C ATOM 1637 C VAL A 98 3.230 10.034 -6.212 1.00 13.23 C ATOM 1638 O VAL A 98 3.304 9.581 -7.362 1.00 12.14 O ATOM 1639 CB VAL A 98 5.105 9.775 -4.415 1.00 62.01 C ATOM 1640 CG1 VAL A 98 5.435 8.339 -4.834 1.00 4.52 C ATOM 1641 CG2 VAL A 98 6.411 10.446 -3.973 1.00 21.00 C ATOM 0 H VAL A 98 4.216 12.025 -3.975 1.00 5.31 H new ATOM 0 HA VAL A 98 5.243 10.676 -6.322 1.00 41.12 H new ATOM 0 HB VAL A 98 4.363 9.715 -3.618 1.00 62.01 H new ATOM 0 HG11 VAL A 98 5.867 7.803 -3.989 1.00 4.52 H new ATOM 0 HG12 VAL A 98 4.523 7.835 -5.156 1.00 4.52 H new ATOM 0 HG13 VAL A 98 6.150 8.355 -5.657 1.00 4.52 H new ATOM 0 HG21 VAL A 98 6.870 9.860 -3.176 1.00 21.00 H new ATOM 0 HG22 VAL A 98 7.095 10.505 -4.820 1.00 21.00 H new ATOM 0 HG23 VAL A 98 6.198 11.451 -3.608 1.00 21.00 H new ATOM 1651 N TYR A 99 2.071 10.086 -5.544 1.00 61.22 N ATOM 1652 CA TYR A 99 0.793 9.576 -6.039 1.00 5.20 C ATOM 1653 C TYR A 99 0.469 10.179 -7.392 1.00 71.04 C ATOM 1654 O TYR A 99 0.393 9.442 -8.379 1.00 24.03 O ATOM 1655 CB TYR A 99 -0.315 9.937 -5.030 1.00 70.23 C ATOM 1656 CG TYR A 99 -1.752 9.624 -5.419 1.00 43.31 C ATOM 1657 CD1 TYR A 99 -2.245 8.316 -5.297 1.00 73.12 C ATOM 1658 CD2 TYR A 99 -2.619 10.650 -5.847 1.00 4.32 C ATOM 1659 CE1 TYR A 99 -3.577 8.017 -5.626 1.00 73.23 C ATOM 1660 CE2 TYR A 99 -3.960 10.365 -6.162 1.00 62.25 C ATOM 1661 CZ TYR A 99 -4.441 9.037 -6.079 1.00 22.11 C ATOM 1662 OH TYR A 99 -5.714 8.735 -6.462 1.00 23.22 O ATOM 0 H TYR A 99 1.998 10.498 -4.614 1.00 61.22 H new ATOM 0 HA TYR A 99 0.858 8.494 -6.150 1.00 5.20 H new ATOM 0 HB2 TYR A 99 -0.100 9.419 -4.095 1.00 70.23 H new ATOM 0 HB3 TYR A 99 -0.248 11.005 -4.825 1.00 70.23 H new ATOM 0 HD1 TYR A 99 -1.593 7.530 -4.946 1.00 73.12 H new ATOM 0 HD2 TYR A 99 -2.251 11.662 -5.934 1.00 4.32 H new ATOM 0 HE1 TYR A 99 -3.941 7.005 -5.532 1.00 73.23 H new ATOM 0 HE2 TYR A 99 -4.623 11.161 -6.468 1.00 62.25 H new ATOM 0 HH TYR A 99 -5.753 7.803 -6.761 1.00 23.22 H new ATOM 1672 N GLU A 100 0.315 11.505 -7.454 1.00 31.14 N ATOM 1673 CA GLU A 100 -0.024 12.144 -8.723 1.00 33.21 C ATOM 1674 C GLU A 100 1.094 12.044 -9.761 1.00 33.11 C ATOM 1675 O GLU A 100 0.812 12.220 -10.946 1.00 3.00 O ATOM 1676 CB GLU A 100 -0.547 13.570 -8.528 1.00 32.12 C ATOM 1677 CG GLU A 100 0.442 14.435 -7.760 1.00 25.23 C ATOM 1678 CD GLU A 100 -0.040 15.874 -7.652 1.00 13.20 C ATOM 1679 OE1 GLU A 100 -0.809 16.153 -6.700 1.00 74.35 O ATOM 1680 OE2 GLU A 100 0.335 16.704 -8.514 1.00 33.43 O ATOM 0 H GLU A 100 0.417 12.140 -6.662 1.00 31.14 H new ATOM 0 HA GLU A 100 -0.852 11.574 -9.145 1.00 33.21 H new ATOM 0 HB2 GLU A 100 -0.745 14.021 -9.501 1.00 32.12 H new ATOM 0 HB3 GLU A 100 -1.496 13.539 -7.992 1.00 32.12 H new ATOM 0 HG2 GLU A 100 0.588 14.023 -6.761 1.00 25.23 H new ATOM 0 HG3 GLU A 100 1.411 14.411 -8.259 1.00 25.23 H new ATOM 1687 N SER A 101 2.323 11.685 -9.387 1.00 11.24 N ATOM 1688 CA SER A 101 3.388 11.563 -10.361 1.00 65.12 C ATOM 1689 C SER A 101 3.335 10.182 -11.012 1.00 65.44 C ATOM 1690 O SER A 101 3.682 10.096 -12.189 1.00 30.41 O ATOM 1691 CB SER A 101 4.733 11.797 -9.676 1.00 30.23 C ATOM 1692 OG SER A 101 5.815 11.680 -10.572 1.00 31.33 O ATOM 0 H SER A 101 2.595 11.478 -8.426 1.00 11.24 H new ATOM 0 HA SER A 101 3.264 12.313 -11.142 1.00 65.12 H new ATOM 0 HB2 SER A 101 4.742 12.790 -9.226 1.00 30.23 H new ATOM 0 HB3 SER A 101 4.856 11.079 -8.865 1.00 30.23 H new ATOM 0 HG SER A 101 6.655 11.839 -10.093 1.00 31.33 H new ATOM 1698 N GLU A 102 2.837 9.132 -10.341 1.00 45.34 N ATOM 1699 CA GLU A 102 2.787 7.793 -10.947 1.00 33.44 C ATOM 1700 C GLU A 102 1.367 7.205 -10.977 1.00 43.34 C ATOM 1701 O GLU A 102 1.195 6.013 -11.212 1.00 34.52 O ATOM 1702 CB GLU A 102 3.828 6.862 -10.297 1.00 4.21 C ATOM 1703 CG GLU A 102 5.262 7.432 -10.245 1.00 53.25 C ATOM 1704 CD GLU A 102 6.316 6.467 -10.807 1.00 72.34 C ATOM 1705 OE1 GLU A 102 6.280 6.138 -12.024 1.00 72.34 O ATOM 1706 OE2 GLU A 102 7.207 6.087 -10.021 1.00 10.12 O ATOM 0 H GLU A 102 2.468 9.182 -9.391 1.00 45.34 H new ATOM 0 HA GLU A 102 3.063 7.891 -11.997 1.00 33.44 H new ATOM 0 HB2 GLU A 102 3.506 6.633 -9.281 1.00 4.21 H new ATOM 0 HB3 GLU A 102 3.846 5.920 -10.846 1.00 4.21 H new ATOM 0 HG2 GLU A 102 5.296 8.365 -10.808 1.00 53.25 H new ATOM 0 HG3 GLU A 102 5.513 7.673 -9.212 1.00 53.25 H new ATOM 1713 N LYS A 103 0.333 8.006 -10.706 1.00 50.44 N ATOM 1714 CA LYS A 103 -1.072 7.613 -10.705 1.00 13.10 C ATOM 1715 C LYS A 103 -1.441 6.774 -11.930 1.00 45.32 C ATOM 1716 O LYS A 103 -1.338 7.224 -13.072 1.00 4.03 O ATOM 1717 CB LYS A 103 -1.955 8.888 -10.699 1.00 11.40 C ATOM 1718 CG LYS A 103 -2.692 9.193 -9.380 1.00 4.52 C ATOM 1719 CD LYS A 103 -4.054 9.845 -9.626 1.00 22.12 C ATOM 1720 CE LYS A 103 -3.865 11.306 -10.015 1.00 63.43 C ATOM 1721 NZ LYS A 103 -5.155 11.954 -10.274 1.00 14.11 N ATOM 0 H LYS A 103 0.462 8.990 -10.471 1.00 50.44 H new ATOM 0 HA LYS A 103 -1.242 7.007 -9.815 1.00 13.10 H new ATOM 0 HB2 LYS A 103 -1.326 9.743 -10.947 1.00 11.40 H new ATOM 0 HB3 LYS A 103 -2.696 8.797 -11.493 1.00 11.40 H new ATOM 0 HG2 LYS A 103 -2.828 8.269 -8.818 1.00 4.52 H new ATOM 0 HG3 LYS A 103 -2.079 9.853 -8.766 1.00 4.52 H new ATOM 0 HD2 LYS A 103 -4.584 9.314 -10.417 1.00 22.12 H new ATOM 0 HD3 LYS A 103 -4.668 9.775 -8.728 1.00 22.12 H new ATOM 0 HE2 LYS A 103 -3.343 11.834 -9.217 1.00 63.43 H new ATOM 0 HE3 LYS A 103 -3.237 11.371 -10.904 1.00 63.43 H new ATOM 0 HZ1 LYS A 103 -4.998 12.948 -10.537 1.00 14.11 H new ATOM 0 HZ2 LYS A 103 -5.640 11.463 -11.052 1.00 14.11 H new ATOM 0 HZ3 LYS A 103 -5.743 11.911 -9.417 1.00 14.11 H new ATOM 1735 N ASP A 104 -1.976 5.590 -11.649 1.00 62.51 N ATOM 1736 CA ASP A 104 -2.473 4.652 -12.631 1.00 33.14 C ATOM 1737 C ASP A 104 -3.819 5.213 -13.070 1.00 23.53 C ATOM 1738 O ASP A 104 -4.410 6.082 -12.412 1.00 23.21 O ATOM 1739 CB ASP A 104 -2.709 3.266 -11.998 1.00 64.14 C ATOM 1740 CG ASP A 104 -1.538 2.287 -12.086 1.00 64.52 C ATOM 1741 OD1 ASP A 104 -0.593 2.486 -12.884 1.00 44.23 O ATOM 1742 OD2 ASP A 104 -1.639 1.228 -11.425 1.00 51.32 O ATOM 0 H ASP A 104 -2.076 5.251 -10.692 1.00 62.51 H new ATOM 0 HA ASP A 104 -1.764 4.531 -13.450 1.00 33.14 H new ATOM 0 HB2 ASP A 104 -2.963 3.406 -10.947 1.00 64.14 H new ATOM 0 HB3 ASP A 104 -3.575 2.811 -12.478 1.00 64.14 H new ATOM 1747 N GLU A 105 -4.337 4.706 -14.176 1.00 5.22 N ATOM 1748 CA GLU A 105 -5.625 5.117 -14.709 1.00 32.52 C ATOM 1749 C GLU A 105 -6.741 4.730 -13.730 1.00 34.23 C ATOM 1750 O GLU A 105 -7.764 5.409 -13.644 1.00 71.35 O ATOM 1751 CB GLU A 105 -5.773 4.449 -16.075 1.00 63.25 C ATOM 1752 CG GLU A 105 -7.156 4.555 -16.719 1.00 42.12 C ATOM 1753 CD GLU A 105 -7.280 3.694 -17.983 1.00 1.34 C ATOM 1754 OE1 GLU A 105 -6.287 3.047 -18.411 1.00 42.11 O ATOM 1755 OE2 GLU A 105 -8.408 3.661 -18.536 1.00 64.45 O ATOM 0 H GLU A 105 -3.871 3.991 -14.734 1.00 5.22 H new ATOM 0 HA GLU A 105 -5.694 6.198 -14.832 1.00 32.52 H new ATOM 0 HB2 GLU A 105 -5.042 4.887 -16.754 1.00 63.25 H new ATOM 0 HB3 GLU A 105 -5.520 3.394 -15.972 1.00 63.25 H new ATOM 0 HG2 GLU A 105 -7.914 4.249 -15.998 1.00 42.12 H new ATOM 0 HG3 GLU A 105 -7.358 5.596 -16.971 1.00 42.12 H new ATOM 1762 N ASP A 106 -6.522 3.684 -12.932 1.00 14.11 N ATOM 1763 CA ASP A 106 -7.503 3.200 -11.969 1.00 3.31 C ATOM 1764 C ASP A 106 -7.669 4.168 -10.794 1.00 10.12 C ATOM 1765 O ASP A 106 -8.753 4.229 -10.212 1.00 45.24 O ATOM 1766 CB ASP A 106 -7.112 1.838 -11.376 1.00 54.41 C ATOM 1767 CG ASP A 106 -6.552 0.850 -12.384 1.00 10.03 C ATOM 1768 OD1 ASP A 106 -7.326 0.228 -13.133 1.00 64.11 O ATOM 1769 OD2 ASP A 106 -5.319 0.640 -12.389 1.00 52.12 O ATOM 0 H ASP A 106 -5.654 3.149 -12.938 1.00 14.11 H new ATOM 0 HA ASP A 106 -8.434 3.112 -12.529 1.00 3.31 H new ATOM 0 HB2 ASP A 106 -6.372 1.996 -10.592 1.00 54.41 H new ATOM 0 HB3 ASP A 106 -7.989 1.397 -10.902 1.00 54.41 H new ATOM 1774 N GLY A 107 -6.606 4.895 -10.422 1.00 64.12 N ATOM 1775 CA GLY A 107 -6.605 5.843 -9.301 1.00 1.03 C ATOM 1776 C GLY A 107 -5.846 5.337 -8.061 1.00 65.31 C ATOM 1777 O GLY A 107 -5.805 6.046 -7.051 1.00 33.31 O ATOM 0 H GLY A 107 -5.707 4.839 -10.901 1.00 64.12 H new ATOM 0 HA2 GLY A 107 -6.159 6.781 -9.631 1.00 1.03 H new ATOM 0 HA3 GLY A 107 -7.636 6.061 -9.021 1.00 1.03 H new ATOM 1781 N PHE A 108 -5.337 4.097 -8.076 1.00 74.11 N ATOM 1782 CA PHE A 108 -4.556 3.465 -7.006 1.00 12.12 C ATOM 1783 C PHE A 108 -3.055 3.711 -7.220 1.00 23.24 C ATOM 1784 O PHE A 108 -2.600 3.875 -8.352 1.00 33.04 O ATOM 1785 CB PHE A 108 -4.774 1.939 -7.030 1.00 5.22 C ATOM 1786 CG PHE A 108 -5.905 1.395 -6.186 1.00 13.40 C ATOM 1787 CD1 PHE A 108 -5.841 1.498 -4.785 1.00 23.21 C ATOM 1788 CD2 PHE A 108 -6.964 0.689 -6.785 1.00 53.45 C ATOM 1789 CE1 PHE A 108 -6.830 0.896 -3.989 1.00 62.03 C ATOM 1790 CE2 PHE A 108 -7.935 0.066 -5.981 1.00 45.42 C ATOM 1791 CZ PHE A 108 -7.879 0.176 -4.582 1.00 41.44 C ATOM 0 H PHE A 108 -5.466 3.477 -8.876 1.00 74.11 H new ATOM 0 HA PHE A 108 -4.882 3.893 -6.058 1.00 12.12 H new ATOM 0 HB2 PHE A 108 -4.947 1.637 -8.063 1.00 5.22 H new ATOM 0 HB3 PHE A 108 -3.850 1.459 -6.708 1.00 5.22 H new ATOM 0 HD1 PHE A 108 -5.031 2.040 -4.320 1.00 23.21 H new ATOM 0 HD2 PHE A 108 -7.031 0.626 -7.861 1.00 53.45 H new ATOM 0 HE1 PHE A 108 -6.783 0.988 -2.914 1.00 62.03 H new ATOM 0 HE2 PHE A 108 -8.730 -0.501 -6.443 1.00 45.42 H new ATOM 0 HZ PHE A 108 -8.636 -0.289 -3.968 1.00 41.44 H new ATOM 1801 N LEU A 109 -2.253 3.701 -6.149 1.00 1.21 N ATOM 1802 CA LEU A 109 -0.795 3.880 -6.224 1.00 33.44 C ATOM 1803 C LEU A 109 -0.228 2.484 -6.017 1.00 31.32 C ATOM 1804 O LEU A 109 -0.346 1.944 -4.916 1.00 4.14 O ATOM 1805 CB LEU A 109 -0.318 4.923 -5.190 1.00 34.31 C ATOM 1806 CG LEU A 109 1.094 4.785 -4.578 1.00 14.51 C ATOM 1807 CD1 LEU A 109 2.194 4.313 -5.532 1.00 41.52 C ATOM 1808 CD2 LEU A 109 1.482 6.142 -3.975 1.00 41.53 C ATOM 0 H LEU A 109 -2.598 3.568 -5.198 1.00 1.21 H new ATOM 0 HA LEU A 109 -0.451 4.285 -7.176 1.00 33.44 H new ATOM 0 HB2 LEU A 109 -0.377 5.904 -5.662 1.00 34.31 H new ATOM 0 HB3 LEU A 109 -1.034 4.921 -4.368 1.00 34.31 H new ATOM 0 HG LEU A 109 1.025 3.993 -3.832 1.00 14.51 H new ATOM 0 HD11 LEU A 109 3.140 4.253 -4.995 1.00 41.52 H new ATOM 0 HD12 LEU A 109 1.937 3.330 -5.926 1.00 41.52 H new ATOM 0 HD13 LEU A 109 2.289 5.020 -6.356 1.00 41.52 H new ATOM 0 HD21 LEU A 109 2.477 6.073 -3.535 1.00 41.53 H new ATOM 0 HD22 LEU A 109 1.483 6.901 -4.757 1.00 41.53 H new ATOM 0 HD23 LEU A 109 0.762 6.417 -3.204 1.00 41.53 H new ATOM 1820 N TYR A 110 0.292 1.858 -7.071 1.00 4.54 N ATOM 1821 CA TYR A 110 0.868 0.525 -6.982 1.00 21.20 C ATOM 1822 C TYR A 110 2.320 0.649 -6.549 1.00 23.23 C ATOM 1823 O TYR A 110 3.095 1.406 -7.121 1.00 23.34 O ATOM 1824 CB TYR A 110 0.755 -0.218 -8.321 1.00 41.35 C ATOM 1825 CG TYR A 110 -0.480 -1.093 -8.406 1.00 30.42 C ATOM 1826 CD1 TYR A 110 -1.757 -0.517 -8.293 1.00 50.35 C ATOM 1827 CD2 TYR A 110 -0.356 -2.488 -8.563 1.00 31.04 C ATOM 1828 CE1 TYR A 110 -2.905 -1.325 -8.323 1.00 43.12 C ATOM 1829 CE2 TYR A 110 -1.503 -3.302 -8.617 1.00 53.53 C ATOM 1830 CZ TYR A 110 -2.785 -2.719 -8.497 1.00 64.42 C ATOM 1831 OH TYR A 110 -3.900 -3.496 -8.586 1.00 22.04 O ATOM 0 H TYR A 110 0.324 2.262 -8.007 1.00 4.54 H new ATOM 0 HA TYR A 110 0.316 -0.059 -6.245 1.00 21.20 H new ATOM 0 HB2 TYR A 110 0.737 0.508 -9.134 1.00 41.35 H new ATOM 0 HB3 TYR A 110 1.642 -0.835 -8.465 1.00 41.35 H new ATOM 0 HD1 TYR A 110 -1.856 0.553 -8.183 1.00 50.35 H new ATOM 0 HD2 TYR A 110 0.624 -2.935 -8.642 1.00 31.04 H new ATOM 0 HE1 TYR A 110 -3.882 -0.878 -8.213 1.00 43.12 H new ATOM 0 HE2 TYR A 110 -1.404 -4.369 -8.750 1.00 53.53 H new ATOM 0 HH TYR A 110 -4.514 -3.113 -9.247 1.00 22.04 H new ATOM 1841 N MET A 111 2.719 -0.085 -5.520 1.00 74.40 N ATOM 1842 CA MET A 111 4.085 -0.063 -5.031 1.00 25.02 C ATOM 1843 C MET A 111 4.458 -1.469 -4.596 1.00 14.12 C ATOM 1844 O MET A 111 3.615 -2.287 -4.201 1.00 33.15 O ATOM 1845 CB MET A 111 4.296 1.001 -3.943 1.00 22.44 C ATOM 1846 CG MET A 111 3.096 1.190 -3.012 1.00 22.13 C ATOM 1847 SD MET A 111 3.425 2.143 -1.502 1.00 13.30 S ATOM 1848 CE MET A 111 4.151 3.665 -2.167 1.00 3.31 C ATOM 0 H MET A 111 2.103 -0.712 -5.002 1.00 74.40 H new ATOM 0 HA MET A 111 4.763 0.239 -5.829 1.00 25.02 H new ATOM 0 HB2 MET A 111 5.166 0.727 -3.346 1.00 22.44 H new ATOM 0 HB3 MET A 111 4.525 1.953 -4.421 1.00 22.44 H new ATOM 0 HG2 MET A 111 2.301 1.686 -3.568 1.00 22.13 H new ATOM 0 HG3 MET A 111 2.721 0.207 -2.727 1.00 22.13 H new ATOM 0 HE1 MET A 111 4.416 4.331 -1.346 1.00 3.31 H new ATOM 0 HE2 MET A 111 5.046 3.421 -2.740 1.00 3.31 H new ATOM 0 HE3 MET A 111 3.428 4.159 -2.816 1.00 3.31 H new ATOM 1858 N VAL A 112 5.739 -1.768 -4.710 1.00 23.45 N ATOM 1859 CA VAL A 112 6.299 -3.055 -4.373 1.00 62.43 C ATOM 1860 C VAL A 112 7.537 -2.807 -3.529 1.00 1.13 C ATOM 1861 O VAL A 112 8.252 -1.837 -3.752 1.00 62.31 O ATOM 1862 CB VAL A 112 6.501 -3.888 -5.666 1.00 22.01 C ATOM 1863 CG1 VAL A 112 5.146 -4.270 -6.277 1.00 74.33 C ATOM 1864 CG2 VAL A 112 7.298 -3.214 -6.793 1.00 72.32 C ATOM 0 H VAL A 112 6.433 -1.102 -5.049 1.00 23.45 H new ATOM 0 HA VAL A 112 5.636 -3.671 -3.765 1.00 62.43 H new ATOM 0 HB VAL A 112 7.081 -4.742 -5.316 1.00 22.01 H new ATOM 0 HG11 VAL A 112 5.307 -4.854 -7.183 1.00 74.33 H new ATOM 0 HG12 VAL A 112 4.578 -4.862 -5.560 1.00 74.33 H new ATOM 0 HG13 VAL A 112 4.590 -3.365 -6.522 1.00 74.33 H new ATOM 0 HG21 VAL A 112 7.372 -3.893 -7.642 1.00 72.32 H new ATOM 0 HG22 VAL A 112 6.790 -2.301 -7.102 1.00 72.32 H new ATOM 0 HG23 VAL A 112 8.298 -2.970 -6.435 1.00 72.32 H new ATOM 1874 N TYR A 113 7.787 -3.635 -2.521 1.00 21.42 N ATOM 1875 CA TYR A 113 8.944 -3.501 -1.634 1.00 13.52 C ATOM 1876 C TYR A 113 9.832 -4.746 -1.745 1.00 64.34 C ATOM 1877 O TYR A 113 9.333 -5.784 -2.189 1.00 44.42 O ATOM 1878 CB TYR A 113 8.443 -3.197 -0.210 1.00 23.03 C ATOM 1879 CG TYR A 113 7.701 -4.313 0.510 1.00 42.32 C ATOM 1880 CD1 TYR A 113 6.434 -4.771 0.095 1.00 64.10 C ATOM 1881 CD2 TYR A 113 8.286 -4.884 1.649 1.00 42.21 C ATOM 1882 CE1 TYR A 113 5.835 -5.869 0.743 1.00 53.20 C ATOM 1883 CE2 TYR A 113 7.726 -6.005 2.270 1.00 12.25 C ATOM 1884 CZ TYR A 113 6.514 -6.529 1.791 1.00 45.43 C ATOM 1885 OH TYR A 113 5.987 -7.629 2.376 1.00 25.34 O ATOM 0 H TYR A 113 7.188 -4.428 -2.292 1.00 21.42 H new ATOM 0 HA TYR A 113 9.579 -2.665 -1.926 1.00 13.52 H new ATOM 0 HB2 TYR A 113 9.301 -2.912 0.398 1.00 23.03 H new ATOM 0 HB3 TYR A 113 7.786 -2.329 -0.259 1.00 23.03 H new ATOM 0 HD1 TYR A 113 5.923 -4.280 -0.720 1.00 64.10 H new ATOM 0 HD2 TYR A 113 9.187 -4.449 2.055 1.00 42.21 H new ATOM 0 HE1 TYR A 113 4.855 -6.207 0.438 1.00 53.20 H new ATOM 0 HE2 TYR A 113 8.222 -6.465 3.112 1.00 12.25 H new ATOM 0 HH TYR A 113 6.661 -8.049 2.950 1.00 25.34 H new ATOM 1895 N ALA A 114 11.142 -4.625 -1.479 1.00 72.00 N ATOM 1896 CA ALA A 114 12.117 -5.737 -1.514 1.00 42.13 C ATOM 1897 C ALA A 114 13.418 -5.351 -0.796 1.00 64.41 C ATOM 1898 O ALA A 114 13.683 -4.163 -0.602 1.00 13.15 O ATOM 1899 CB ALA A 114 12.494 -6.033 -2.970 1.00 74.41 C ATOM 0 H ALA A 114 11.567 -3.733 -1.227 1.00 72.00 H new ATOM 0 HA ALA A 114 11.656 -6.597 -1.027 1.00 42.13 H new ATOM 0 HB1 ALA A 114 13.213 -6.852 -3.000 1.00 74.41 H new ATOM 0 HB2 ALA A 114 11.600 -6.313 -3.527 1.00 74.41 H new ATOM 0 HB3 ALA A 114 12.938 -5.144 -3.419 1.00 74.41 H new ATOM 1905 N SER A 115 14.273 -6.327 -0.447 1.00 44.34 N ATOM 1906 CA SER A 115 15.563 -6.050 0.189 1.00 21.03 C ATOM 1907 C SER A 115 16.584 -6.138 -0.941 1.00 12.13 C ATOM 1908 O SER A 115 17.300 -7.133 -1.091 1.00 11.15 O ATOM 1909 CB SER A 115 15.857 -7.004 1.357 1.00 52.20 C ATOM 1910 OG SER A 115 17.044 -6.717 2.081 1.00 72.43 O ATOM 0 H SER A 115 14.088 -7.319 -0.598 1.00 44.34 H new ATOM 0 HA SER A 115 15.586 -5.067 0.659 1.00 21.03 H new ATOM 0 HB2 SER A 115 15.014 -6.980 2.047 1.00 52.20 H new ATOM 0 HB3 SER A 115 15.923 -8.020 0.969 1.00 52.20 H new ATOM 0 HG SER A 115 16.915 -5.903 2.611 1.00 72.43 H new ATOM 1916 N GLN A 116 16.639 -5.077 -1.741 1.00 11.52 N ATOM 1917 CA GLN A 116 17.523 -4.895 -2.877 1.00 23.13 C ATOM 1918 C GLN A 116 17.261 -3.510 -3.434 1.00 24.02 C ATOM 1919 O GLN A 116 16.111 -3.107 -3.586 1.00 72.43 O ATOM 1920 CB GLN A 116 17.322 -5.953 -3.970 1.00 5.53 C ATOM 1921 CG GLN A 116 15.899 -6.166 -4.487 1.00 14.53 C ATOM 1922 CD GLN A 116 15.823 -7.466 -5.276 1.00 30.34 C ATOM 1923 OE1 GLN A 116 15.290 -8.459 -4.784 1.00 30.32 O ATOM 1924 NE2 GLN A 116 16.442 -7.533 -6.441 1.00 70.44 N ATOM 0 H GLN A 116 16.027 -4.273 -1.600 1.00 11.52 H new ATOM 0 HA GLN A 116 18.554 -5.007 -2.542 1.00 23.13 H new ATOM 0 HB2 GLN A 116 17.952 -5.686 -4.818 1.00 5.53 H new ATOM 0 HB3 GLN A 116 17.688 -6.906 -3.588 1.00 5.53 H new ATOM 0 HG2 GLN A 116 15.200 -6.196 -3.651 1.00 14.53 H new ATOM 0 HG3 GLN A 116 15.603 -5.329 -5.119 1.00 14.53 H new ATOM 0 HE21 GLN A 116 16.879 -6.700 -6.835 1.00 70.44 H new ATOM 0 HE22 GLN A 116 16.483 -8.418 -6.947 1.00 70.44 H new ATOM 1933 N GLU A 117 18.341 -2.801 -3.719 1.00 32.03 N ATOM 1934 CA GLU A 117 18.310 -1.455 -4.256 1.00 74.00 C ATOM 1935 C GLU A 117 18.131 -1.467 -5.780 1.00 12.42 C ATOM 1936 O GLU A 117 17.664 -0.489 -6.370 1.00 4.45 O ATOM 1937 CB GLU A 117 19.668 -0.860 -3.884 1.00 61.00 C ATOM 1938 CG GLU A 117 19.787 0.628 -4.198 1.00 63.32 C ATOM 1939 CD GLU A 117 21.140 1.182 -3.760 1.00 24.45 C ATOM 1940 OE1 GLU A 117 22.147 0.435 -3.752 1.00 24.03 O ATOM 1941 OE2 GLU A 117 21.212 2.403 -3.490 1.00 41.41 O ATOM 0 H GLU A 117 19.287 -3.157 -3.579 1.00 32.03 H new ATOM 0 HA GLU A 117 17.475 -0.879 -3.857 1.00 74.00 H new ATOM 0 HB2 GLU A 117 19.844 -1.014 -2.819 1.00 61.00 H new ATOM 0 HB3 GLU A 117 20.451 -1.400 -4.417 1.00 61.00 H new ATOM 0 HG2 GLU A 117 19.656 0.787 -5.268 1.00 63.32 H new ATOM 0 HG3 GLU A 117 18.988 1.173 -3.694 1.00 63.32 H new ATOM 1948 N THR A 118 18.478 -2.589 -6.412 1.00 54.30 N ATOM 1949 CA THR A 118 18.430 -2.812 -7.843 1.00 13.51 C ATOM 1950 C THR A 118 17.804 -4.174 -8.138 1.00 65.31 C ATOM 1951 O THR A 118 17.942 -5.125 -7.357 1.00 64.32 O ATOM 1952 CB THR A 118 19.869 -2.655 -8.381 1.00 62.02 C ATOM 1953 OG1 THR A 118 19.980 -2.921 -9.769 1.00 65.21 O ATOM 1954 CG2 THR A 118 20.889 -3.524 -7.643 1.00 5.23 C ATOM 0 H THR A 118 18.817 -3.406 -5.904 1.00 54.30 H new ATOM 0 HA THR A 118 17.796 -2.086 -8.352 1.00 13.51 H new ATOM 0 HB THR A 118 20.098 -1.605 -8.199 1.00 62.02 H new ATOM 0 HG1 THR A 118 20.911 -2.804 -10.051 1.00 65.21 H new ATOM 0 HG21 THR A 118 21.879 -3.366 -8.071 1.00 5.23 H new ATOM 0 HG22 THR A 118 20.902 -3.253 -6.587 1.00 5.23 H new ATOM 0 HG23 THR A 118 20.614 -4.574 -7.744 1.00 5.23 H new ATOM 1962 N PHE A 119 17.053 -4.232 -9.236 1.00 33.34 N ATOM 1963 CA PHE A 119 16.364 -5.414 -9.734 1.00 10.52 C ATOM 1964 C PHE A 119 17.187 -6.040 -10.842 1.00 4.33 C ATOM 1965 O PHE A 119 17.058 -7.262 -11.049 1.00 50.11 O ATOM 1966 CB PHE A 119 14.949 -5.032 -10.199 1.00 65.21 C ATOM 1967 CG PHE A 119 13.892 -4.943 -9.105 1.00 64.32 C ATOM 1968 CD1 PHE A 119 14.234 -4.906 -7.736 1.00 45.11 C ATOM 1969 CD2 PHE A 119 12.532 -4.942 -9.468 1.00 4.41 C ATOM 1970 CE1 PHE A 119 13.239 -4.930 -6.749 1.00 23.42 C ATOM 1971 CE2 PHE A 119 11.536 -4.952 -8.476 1.00 45.41 C ATOM 1972 CZ PHE A 119 11.892 -4.983 -7.119 1.00 21.43 C ATOM 0 H PHE A 119 16.903 -3.415 -9.829 1.00 33.34 H new ATOM 0 HA PHE A 119 16.254 -6.155 -8.942 1.00 10.52 H new ATOM 0 HB2 PHE A 119 15.002 -4.069 -10.706 1.00 65.21 H new ATOM 0 HB3 PHE A 119 14.620 -5.763 -10.937 1.00 65.21 H new ATOM 0 HD1 PHE A 119 15.273 -4.859 -7.446 1.00 45.11 H new ATOM 0 HD2 PHE A 119 12.253 -4.934 -10.511 1.00 4.41 H new ATOM 0 HE1 PHE A 119 13.513 -4.908 -5.704 1.00 23.42 H new ATOM 0 HE2 PHE A 119 10.494 -4.936 -8.759 1.00 45.41 H new ATOM 0 HZ PHE A 119 11.126 -5.048 -6.361 1.00 21.43 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -21.976 -9.597 -0.245 1.00 61.22 N ATOM 1984 CA ASN B 169 -20.948 -9.470 -1.294 1.00 34.34 C ATOM 1985 C ASN B 169 -20.822 -8.039 -1.762 1.00 33.11 C ATOM 1986 O ASN B 169 -19.700 -7.547 -1.853 1.00 74.15 O ATOM 1987 CB ASN B 169 -21.185 -10.378 -2.504 1.00 51.13 C ATOM 1988 CG ASN B 169 -20.966 -11.833 -2.137 1.00 52.14 C ATOM 1989 OD1 ASN B 169 -19.845 -12.328 -2.127 1.00 70.22 O ATOM 1990 ND2 ASN B 169 -22.023 -12.545 -1.793 1.00 24.21 N ATOM 0 HA ASN B 169 -20.019 -9.794 -0.825 1.00 34.34 H new ATOM 0 HB2 ASN B 169 -22.201 -10.241 -2.874 1.00 51.13 H new ATOM 0 HB3 ASN B 169 -20.511 -10.097 -3.313 1.00 51.13 H new ATOM 0 HD21 ASN B 169 -21.912 -13.520 -1.514 1.00 24.21 H new ATOM 0 HD22 ASN B 169 -22.950 -12.120 -1.806 1.00 24.21 H new HETATM 1997 N SEP B 170 -21.939 -7.388 -2.085 1.00 3.10 N HETATM 1998 CA SEP B 170 -22.014 -6.022 -2.565 1.00 72.12 C HETATM 1999 CB SEP B 170 -23.457 -5.751 -3.024 1.00 12.13 C HETATM 2000 OG SEP B 170 -23.901 -6.777 -3.912 1.00 34.14 O HETATM 2001 C SEP B 170 -21.500 -5.054 -1.494 1.00 13.24 C HETATM 2002 O SEP B 170 -20.386 -4.543 -1.626 1.00 25.14 O HETATM 2003 P SEP B 170 -25.055 -7.813 -3.519 1.00 52.45 P HETATM 2004 O1P SEP B 170 -25.153 -8.624 -4.750 1.00 11.22 O HETATM 2005 O2P SEP B 170 -24.498 -8.536 -2.359 1.00 50.22 O HETATM 2006 O3P SEP B 170 -26.226 -6.963 -3.239 1.00 53.32 O HETATM 0 HB3 SEP B 170 -24.117 -5.701 -2.158 1.00 12.13 H new HETATM 0 HB2 SEP B 170 -23.511 -4.783 -3.522 1.00 12.13 H new HETATM 0 HA SEP B 170 -21.365 -5.864 -3.427 1.00 72.12 H new HETATM 0 H SEP B 170 -22.770 -7.979 -2.097 1.00 3.10 H new HETATM 2011 N SEP B 171 -22.258 -4.812 -0.422 1.00 22.32 N HETATM 2012 CA SEP B 171 -21.868 -3.913 0.664 1.00 24.32 C HETATM 2013 CB SEP B 171 -23.119 -3.517 1.459 1.00 21.21 C HETATM 2014 OG SEP B 171 -24.186 -3.223 0.569 1.00 32.10 O HETATM 2015 C SEP B 171 -20.835 -4.645 1.532 1.00 11.11 C HETATM 2016 O SEP B 171 -21.153 -5.699 2.087 1.00 64.13 O HETATM 2017 P SEP B 171 -25.694 -3.155 1.091 1.00 1.31 P HETATM 2018 O1P SEP B 171 -25.651 -2.285 2.277 1.00 51.22 O HETATM 2019 O2P SEP B 171 -26.407 -2.592 -0.076 1.00 50.45 O HETATM 2020 O3P SEP B 171 -26.007 -4.573 1.367 1.00 54.41 O HETATM 0 HB3 SEP B 171 -23.406 -4.327 2.129 1.00 21.21 H new HETATM 0 HB2 SEP B 171 -22.904 -2.649 2.082 1.00 21.21 H new HETATM 0 HA SEP B 171 -21.417 -2.995 0.288 1.00 24.32 H new HETATM 0 H SEP B 171 -23.237 -5.071 -0.543 1.00 22.32 H new ATOM 2025 N GLY B 172 -19.565 -4.248 1.488 1.00 2.32 N ATOM 2026 CA GLY B 172 -18.498 -4.881 2.252 1.00 61.41 C ATOM 2027 C GLY B 172 -18.327 -4.245 3.624 1.00 54.43 C ATOM 2028 O GLY B 172 -17.917 -3.080 3.705 1.00 12.11 O ATOM 0 H GLY B 172 -19.247 -3.468 0.913 1.00 2.32 H new ATOM 0 HA2 GLY B 172 -18.716 -5.943 2.369 1.00 61.41 H new ATOM 0 HA3 GLY B 172 -17.562 -4.807 1.698 1.00 61.41 H new HETATM 2032 N SEP B 173 -18.596 -4.986 4.700 1.00 31.41 N HETATM 2033 CA SEP B 173 -18.461 -4.484 6.062 1.00 31.33 C HETATM 2034 CB SEP B 173 -19.725 -3.687 6.414 1.00 45.25 C HETATM 2035 OG SEP B 173 -20.890 -4.485 6.245 1.00 44.34 O HETATM 2036 C SEP B 173 -18.149 -5.612 7.058 1.00 65.42 C HETATM 2037 O SEP B 173 -18.953 -5.901 7.948 1.00 3.34 O HETATM 2038 P SEP B 173 -22.193 -3.920 5.518 1.00 62.11 P HETATM 2039 O1P SEP B 173 -21.674 -3.337 4.272 1.00 11.32 O HETATM 2040 O2P SEP B 173 -23.009 -5.143 5.359 1.00 42.15 O HETATM 2041 O3P SEP B 173 -22.737 -2.953 6.496 1.00 44.52 O HETATM 0 HB3 SEP B 173 -19.665 -3.338 7.445 1.00 45.25 H new HETATM 0 HB2 SEP B 173 -19.790 -2.802 5.781 1.00 45.25 H new HETATM 0 HA SEP B 173 -17.605 -3.813 6.130 1.00 31.33 H new HETATM 2046 N SEP B 174 -17.029 -6.320 6.883 1.00 51.23 N HETATM 2047 CA SEP B 174 -16.627 -7.400 7.783 1.00 23.31 C HETATM 2048 CB SEP B 174 -17.069 -8.773 7.274 1.00 71.43 C HETATM 2049 OG SEP B 174 -18.446 -8.864 6.998 1.00 12.40 O HETATM 2050 C SEP B 174 -15.115 -7.416 7.960 1.00 34.42 C HETATM 2051 O SEP B 174 -14.611 -7.311 9.082 1.00 54.24 O HETATM 2052 P SEP B 174 -19.046 -10.263 6.522 1.00 31.04 P HETATM 2053 O1P SEP B 174 -18.121 -10.677 5.444 1.00 30.32 O HETATM 2054 O2P SEP B 174 -18.970 -11.098 7.732 1.00 42.31 O HETATM 2055 O3P SEP B 174 -20.407 -9.907 6.073 1.00 45.52 O HETATM 0 HB3 SEP B 174 -16.511 -9.011 6.368 1.00 71.43 H new HETATM 0 HB2 SEP B 174 -16.807 -9.526 8.017 1.00 71.43 H new HETATM 0 HA SEP B 174 -17.119 -7.206 8.736 1.00 23.31 H new ATOM 2060 N GLU B 175 -14.379 -7.690 6.889 1.00 70.12 N ATOM 2061 CA GLU B 175 -12.929 -7.747 6.933 1.00 34.30 C ATOM 2062 C GLU B 175 -12.384 -6.336 6.779 1.00 1.12 C ATOM 2063 O GLU B 175 -13.102 -5.414 6.384 1.00 53.52 O ATOM 2064 CB GLU B 175 -12.400 -8.660 5.823 1.00 51.13 C ATOM 2065 CG GLU B 175 -12.878 -10.110 5.994 1.00 2.11 C ATOM 2066 CD GLU B 175 -12.636 -10.945 4.744 1.00 45.42 C ATOM 2067 OE1 GLU B 175 -11.493 -10.967 4.229 1.00 14.32 O ATOM 2068 OE2 GLU B 175 -13.593 -11.614 4.284 1.00 41.34 O ATOM 0 H GLU B 175 -14.774 -7.878 5.968 1.00 70.12 H new ATOM 0 HA GLU B 175 -12.601 -8.160 7.887 1.00 34.30 H new ATOM 0 HB2 GLU B 175 -12.729 -8.282 4.855 1.00 51.13 H new ATOM 0 HB3 GLU B 175 -11.310 -8.635 5.822 1.00 51.13 H new ATOM 0 HG2 GLU B 175 -12.360 -10.565 6.839 1.00 2.11 H new ATOM 0 HG3 GLU B 175 -13.942 -10.115 6.232 1.00 2.11 H new ATOM 2075 N ASP B 176 -11.127 -6.154 7.150 1.00 43.13 N ATOM 2076 CA ASP B 176 -10.464 -4.872 7.018 1.00 31.24 C ATOM 2077 C ASP B 176 -9.866 -4.940 5.618 1.00 34.23 C ATOM 2078 O ASP B 176 -9.165 -5.915 5.314 1.00 41.33 O ATOM 2079 CB ASP B 176 -9.330 -4.707 8.048 1.00 72.15 C ATOM 2080 CG ASP B 176 -9.803 -4.542 9.493 1.00 61.02 C ATOM 2081 OD1 ASP B 176 -10.345 -5.527 10.048 1.00 64.35 O ATOM 2082 OD2 ASP B 176 -9.526 -3.475 10.091 1.00 1.21 O ATOM 0 H ASP B 176 -10.542 -6.888 7.549 1.00 43.13 H new ATOM 0 HA ASP B 176 -11.146 -4.037 7.180 1.00 31.24 H new ATOM 0 HB2 ASP B 176 -8.675 -5.577 7.991 1.00 72.15 H new ATOM 0 HB3 ASP B 176 -8.731 -3.838 7.774 1.00 72.15 H new HETATM 2087 N SEP B 177 -10.059 -3.917 4.791 1.00 33.01 N HETATM 2088 CA SEP B 177 -9.501 -3.893 3.448 1.00 73.04 C HETATM 2089 CB SEP B 177 -10.535 -3.549 2.362 1.00 73.03 C HETATM 2090 OG SEP B 177 -11.171 -4.766 1.960 1.00 1.20 O HETATM 2091 C SEP B 177 -8.336 -2.927 3.543 1.00 24.14 C HETATM 2092 O SEP B 177 -7.196 -3.397 3.586 1.00 12.42 O HETATM 2093 P SEP B 177 -12.358 -4.832 0.883 1.00 34.31 P HETATM 2094 O1P SEP B 177 -13.592 -4.921 1.673 1.00 71.13 O HETATM 2095 O2P SEP B 177 -12.200 -3.619 0.069 1.00 34.43 O HETATM 2096 O3P SEP B 177 -12.057 -6.072 0.120 1.00 74.32 O HETATM 0 HB3 SEP B 177 -11.271 -2.842 2.746 1.00 73.03 H new HETATM 0 HB2 SEP B 177 -10.050 -3.073 1.510 1.00 73.03 H new HETATM 0 HA SEP B 177 -9.166 -4.877 3.121 1.00 73.04 H new HETATM 0 H SEP B 177 -11.049 -3.716 4.936 1.00 33.01 H new ATOM 2101 N PHE B 178 -8.581 -1.622 3.636 1.00 5.53 N ATOM 2102 CA PHE B 178 -7.497 -0.664 3.746 1.00 43.22 C ATOM 2103 C PHE B 178 -7.085 -0.485 5.212 1.00 72.34 C ATOM 2104 O PHE B 178 -7.943 -0.504 6.092 1.00 61.33 O ATOM 2105 CB PHE B 178 -7.968 0.705 3.254 1.00 70.22 C ATOM 2106 CG PHE B 178 -8.116 0.950 1.764 1.00 10.41 C ATOM 2107 CD1 PHE B 178 -7.002 1.333 0.991 1.00 11.13 C ATOM 2108 CD2 PHE B 178 -9.397 0.989 1.187 1.00 10.10 C ATOM 2109 CE1 PHE B 178 -7.167 1.716 -0.351 1.00 44.53 C ATOM 2110 CE2 PHE B 178 -9.568 1.442 -0.135 1.00 70.13 C ATOM 2111 CZ PHE B 178 -8.452 1.778 -0.915 1.00 34.41 C ATOM 0 H PHE B 178 -9.515 -1.211 3.637 1.00 5.53 H new ATOM 0 HA PHE B 178 -6.662 -1.037 3.153 1.00 43.22 H new ATOM 0 HB2 PHE B 178 -8.935 0.904 3.716 1.00 70.22 H new ATOM 0 HB3 PHE B 178 -7.271 1.449 3.640 1.00 70.22 H new ATOM 0 HD1 PHE B 178 -6.016 1.332 1.432 1.00 11.13 H new ATOM 0 HD2 PHE B 178 -10.255 0.670 1.761 1.00 10.10 H new ATOM 0 HE1 PHE B 178 -6.303 1.963 -0.950 1.00 44.53 H new ATOM 0 HE2 PHE B 178 -10.561 1.531 -0.550 1.00 70.13 H new ATOM 0 HZ PHE B 178 -8.580 2.083 -1.943 1.00 34.41 H new ATOM 2121 N VAL B 179 -5.801 -0.195 5.466 1.00 52.34 N ATOM 2122 CA VAL B 179 -5.288 0.047 6.816 1.00 64.33 C ATOM 2123 C VAL B 179 -4.533 1.379 6.848 1.00 63.24 C ATOM 2124 O VAL B 179 -3.609 1.617 6.065 1.00 63.21 O ATOM 2125 CB VAL B 179 -4.534 -1.175 7.378 1.00 33.21 C ATOM 2126 CG1 VAL B 179 -3.179 -1.475 6.720 1.00 62.43 C ATOM 2127 CG2 VAL B 179 -4.327 -1.033 8.889 1.00 3.12 C ATOM 0 H VAL B 179 -5.090 -0.122 4.738 1.00 52.34 H new ATOM 0 HA VAL B 179 -6.114 0.162 7.518 1.00 64.33 H new ATOM 0 HB VAL B 179 -5.181 -2.020 7.141 1.00 33.21 H new ATOM 0 HG11 VAL B 179 -2.733 -2.352 7.189 1.00 62.43 H new ATOM 0 HG12 VAL B 179 -3.325 -1.666 5.657 1.00 62.43 H new ATOM 0 HG13 VAL B 179 -2.516 -0.620 6.847 1.00 62.43 H new ATOM 0 HG21 VAL B 179 -3.793 -1.905 9.267 1.00 3.12 H new ATOM 0 HG22 VAL B 179 -3.745 -0.135 9.094 1.00 3.12 H new ATOM 0 HG23 VAL B 179 -5.295 -0.958 9.383 1.00 3.12 H new ATOM 2137 N GLU B 180 -4.957 2.292 7.720 1.00 51.44 N ATOM 2138 CA GLU B 180 -4.357 3.608 7.881 1.00 72.32 C ATOM 2139 C GLU B 180 -3.047 3.521 8.647 1.00 62.22 C ATOM 2140 O GLU B 180 -2.895 2.713 9.569 1.00 25.41 O ATOM 2141 CB GLU B 180 -5.279 4.603 8.618 1.00 41.14 C ATOM 2142 CG GLU B 180 -6.753 4.645 8.187 1.00 1.40 C ATOM 2143 CD GLU B 180 -7.650 3.617 8.898 1.00 24.03 C ATOM 2144 OE1 GLU B 180 -7.178 2.539 9.314 1.00 65.43 O ATOM 2145 OE2 GLU B 180 -8.850 3.899 9.091 1.00 70.32 O ATOM 0 H GLU B 180 -5.745 2.130 8.347 1.00 51.44 H new ATOM 0 HA GLU B 180 -4.185 3.976 6.870 1.00 72.32 H new ATOM 0 HB2 GLU B 180 -5.245 4.371 9.682 1.00 41.14 H new ATOM 0 HB3 GLU B 180 -4.863 5.603 8.496 1.00 41.14 H new ATOM 0 HG2 GLU B 180 -7.146 5.644 8.375 1.00 1.40 H new ATOM 0 HG3 GLU B 180 -6.810 4.477 7.112 1.00 1.40 H new ATOM 2152 N ILE B 181 -2.116 4.409 8.309 1.00 45.21 N ATOM 2153 CA ILE B 181 -0.816 4.488 8.954 1.00 72.01 C ATOM 2154 C ILE B 181 -0.999 5.195 10.298 1.00 44.54 C ATOM 2155 O ILE B 181 -1.623 6.259 10.350 1.00 63.31 O ATOM 2156 CB ILE B 181 0.130 5.241 8.001 1.00 43.11 C ATOM 2157 CG1 ILE B 181 0.705 4.165 7.062 1.00 21.10 C ATOM 2158 CG2 ILE B 181 1.241 6.034 8.705 1.00 72.44 C ATOM 2159 CD1 ILE B 181 1.493 4.788 5.931 1.00 13.20 C ATOM 0 H ILE B 181 -2.248 5.100 7.571 1.00 45.21 H new ATOM 0 HA ILE B 181 -0.380 3.509 9.155 1.00 72.01 H new ATOM 0 HB ILE B 181 -0.424 6.012 7.465 1.00 43.11 H new ATOM 0 HG12 ILE B 181 1.348 3.491 7.628 1.00 21.10 H new ATOM 0 HG13 ILE B 181 -0.107 3.563 6.654 1.00 21.10 H new ATOM 0 HG21 ILE B 181 1.860 6.533 7.960 1.00 72.44 H new ATOM 0 HG22 ILE B 181 0.795 6.779 9.364 1.00 72.44 H new ATOM 0 HG23 ILE B 181 1.858 5.353 9.292 1.00 72.44 H new ATOM 0 HD11 ILE B 181 1.886 4.003 5.286 1.00 13.20 H new ATOM 0 HD12 ILE B 181 0.842 5.442 5.351 1.00 13.20 H new ATOM 0 HD13 ILE B 181 2.320 5.369 6.340 1.00 13.20 H new ATOM 2171 N ARG B 182 -0.511 4.589 11.387 1.00 61.33 N ATOM 2172 CA ARG B 182 -0.605 5.207 12.709 1.00 3.51 C ATOM 2173 C ARG B 182 0.281 6.449 12.694 1.00 52.44 C ATOM 2174 O ARG B 182 1.289 6.473 11.987 1.00 4.31 O ATOM 2175 CB ARG B 182 -0.059 4.300 13.822 1.00 4.10 C ATOM 2176 CG ARG B 182 -0.906 3.095 14.244 1.00 11.31 C ATOM 2177 CD ARG B 182 -0.692 1.913 13.311 1.00 70.14 C ATOM 2178 NE ARG B 182 -1.239 0.666 13.865 1.00 14.20 N ATOM 2179 CZ ARG B 182 -0.550 -0.327 14.446 1.00 3.40 C ATOM 2180 NH1 ARG B 182 0.756 -0.229 14.680 1.00 72.03 N ATOM 2181 NH2 ARG B 182 -1.179 -1.450 14.757 1.00 34.04 N ATOM 0 H ARG B 182 -0.051 3.679 11.377 1.00 61.33 H new ATOM 0 HA ARG B 182 -1.656 5.416 12.908 1.00 3.51 H new ATOM 0 HB2 ARG B 182 0.915 3.929 13.504 1.00 4.10 H new ATOM 0 HB3 ARG B 182 0.108 4.917 14.705 1.00 4.10 H new ATOM 0 HG2 ARG B 182 -0.649 2.807 15.263 1.00 11.31 H new ATOM 0 HG3 ARG B 182 -1.960 3.372 14.247 1.00 11.31 H new ATOM 0 HD2 ARG B 182 -1.163 2.120 12.350 1.00 70.14 H new ATOM 0 HD3 ARG B 182 0.374 1.789 13.123 1.00 70.14 H new ATOM 0 HE ARG B 182 -2.250 0.543 13.801 1.00 14.20 H new ATOM 0 HH11 ARG B 182 1.259 0.618 14.416 1.00 72.03 H new ATOM 0 HH12 ARG B 182 1.254 -1.001 15.124 1.00 72.03 H new ATOM 0 HH21 ARG B 182 -2.174 -1.550 14.554 1.00 34.04 H new ATOM 0 HH22 ARG B 182 -0.669 -2.215 15.199 1.00 34.04 H new ATOM 2195 N MET B 183 -0.060 7.464 13.479 1.00 45.35 N ATOM 2196 CA MET B 183 0.712 8.693 13.573 1.00 13.50 C ATOM 2197 C MET B 183 0.370 9.290 14.934 1.00 53.32 C ATOM 2198 O MET B 183 -0.557 10.087 15.070 1.00 31.43 O ATOM 2199 CB MET B 183 0.486 9.606 12.352 1.00 62.42 C ATOM 2200 CG MET B 183 -0.963 10.023 12.097 1.00 11.42 C ATOM 2201 SD MET B 183 -1.263 10.827 10.504 1.00 63.42 S ATOM 2202 CE MET B 183 -2.884 11.571 10.838 1.00 70.41 C ATOM 0 H MET B 183 -0.889 7.455 14.073 1.00 45.35 H new ATOM 0 HA MET B 183 1.788 8.527 13.530 1.00 13.50 H new ATOM 0 HB2 MET B 183 1.087 10.506 12.478 1.00 62.42 H new ATOM 0 HB3 MET B 183 0.859 9.095 11.465 1.00 62.42 H new ATOM 0 HG2 MET B 183 -1.596 9.138 12.165 1.00 11.42 H new ATOM 0 HG3 MET B 183 -1.275 10.700 12.892 1.00 11.42 H new ATOM 0 HE1 MET B 183 -3.225 12.111 9.955 1.00 70.41 H new ATOM 0 HE2 MET B 183 -3.601 10.787 11.083 1.00 70.41 H new ATOM 0 HE3 MET B 183 -2.801 12.262 11.677 1.00 70.41 H new ATOM 2212 N ALA B 184 1.051 8.800 15.965 1.00 23.22 N ATOM 2213 CA ALA B 184 0.893 9.199 17.353 1.00 0.54 C ATOM 2214 C ALA B 184 2.218 8.975 18.092 1.00 52.51 C ATOM 2215 O ALA B 184 3.257 8.753 17.464 1.00 63.02 O ATOM 2216 CB ALA B 184 -0.246 8.374 17.970 1.00 55.41 C ATOM 0 H ALA B 184 1.762 8.079 15.846 1.00 23.22 H new ATOM 0 HA ALA B 184 0.638 10.256 17.432 1.00 0.54 H new ATOM 0 HB1 ALA B 184 -0.379 8.661 19.013 1.00 55.41 H new ATOM 0 HB2 ALA B 184 -1.169 8.561 17.422 1.00 55.41 H new ATOM 0 HB3 ALA B 184 0.001 7.314 17.914 1.00 55.41 H new ATOM 2222 N GLU B 185 2.204 9.108 19.414 1.00 33.32 N ATOM 2223 CA GLU B 185 3.359 8.895 20.276 1.00 21.14 C ATOM 2224 C GLU B 185 3.485 7.396 20.494 1.00 21.13 C ATOM 2225 O GLU B 185 4.563 6.833 20.226 1.00 15.32 O ATOM 2226 CB GLU B 185 3.254 9.710 21.584 1.00 63.24 C ATOM 2227 CG GLU B 185 1.898 9.735 22.319 1.00 75.23 C ATOM 2228 CD GLU B 185 1.804 8.824 23.543 1.00 22.44 C ATOM 2229 OE1 GLU B 185 2.360 9.200 24.607 1.00 72.45 O ATOM 2230 OE2 GLU B 185 1.095 7.793 23.489 1.00 1.50 O ATOM 0 H GLU B 185 1.365 9.374 19.929 1.00 33.32 H new ATOM 0 HA GLU B 185 4.273 9.262 19.808 1.00 21.14 H new ATOM 0 HB2 GLU B 185 4.002 9.325 22.277 1.00 63.24 H new ATOM 0 HB3 GLU B 185 3.529 10.740 21.358 1.00 63.24 H new ATOM 0 HG2 GLU B 185 1.691 10.759 22.631 1.00 75.23 H new ATOM 0 HG3 GLU B 185 1.116 9.452 21.615 1.00 75.23 H new TER 2237 GLU B 185