USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=30 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 171 SEP H : 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 174 SEP H2 : 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 NoAdj-H: B 177 SEP H : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 60 MET CE :methyl -167:sc= -0.331 (180deg=-0.894) USER MOD Set 1.2: A 111 MET CE :methyl 171:sc= -1.76 (180deg=-2.09) USER MOD Set 2.1: A 74 ASN : amide:sc= -1.25 X(o=-2.4,f=-2.1!) USER MOD Set 2.2: A 76 ASN : amide:sc= -1.17 K(o=-2.4,f=-8.2!) USER MOD Set 3.1: A 26 GLN : amide:sc=-0.00397 K(o=-0.34,f=-1.5) USER MOD Set 3.2: A 27 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.024) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -126:sc= 0 (180deg=-0.0112) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= -0.0654 (180deg=-0.0654) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 142:sc= 0.911 (180deg=0.351) USER MOD Single : A 9 GLN : amide:sc= -0.0445 X(o=-0.044,f=-0.05) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0394 USER MOD Single : A 15 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.29) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= -0.0598 (180deg=-0.142) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00627) USER MOD Single : A 43 GLN : amide:sc= -4.36! C(o=-4.4!,f=-4.5!) USER MOD Single : A 49 LYS NZ :NH3+ -121:sc= 0.672 (180deg=-0.0183) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -123:sc= 0.715 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.85) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.0505 F(o=-1.8,f=-0.05) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0508 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.16) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.3!) USER MOD Single : A 84 ASN : amide:sc= 1.39 K(o=1.4,f=-2.1!) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 178:sc= 0 (180deg=-0.00211) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -170:sc=-0.00276 USER MOD Single : A 96 SER OG : rot 180:sc= -0.149 USER MOD Single : A 99 TYR OH : rot -6:sc= 1.27 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 145:sc= 1.18 (180deg=0.356) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 166:sc= 1.13 USER MOD Single : A 115 SER OG : rot 78:sc= 0.1 USER MOD Single : A 116 GLN : amide:sc= 0.895 K(o=0.89,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 -164:sc= -0.0219 (180deg=-0.0419) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.218 -24.949 -8.384 1.00 53.44 N ATOM 2 CA GLY A 1 -3.587 -25.332 -8.019 1.00 61.14 C ATOM 3 C GLY A 1 -4.221 -24.167 -7.297 1.00 11.33 C ATOM 4 O GLY A 1 -4.494 -23.147 -7.928 1.00 4.04 O ATOM 0 H1 GLY A 1 -1.759 -25.737 -8.884 1.00 53.44 H new ATOM 0 H2 GLY A 1 -2.245 -24.114 -9.004 1.00 53.44 H new ATOM 0 H3 GLY A 1 -1.679 -24.724 -7.523 1.00 53.44 H new ATOM 0 HA2 GLY A 1 -4.162 -25.587 -8.910 1.00 61.14 H new ATOM 0 HA3 GLY A 1 -3.578 -26.216 -7.382 1.00 61.14 H new ATOM 8 N ALA A 2 -4.493 -24.312 -5.999 1.00 63.42 N ATOM 9 CA ALA A 2 -5.074 -23.240 -5.205 1.00 43.01 C ATOM 10 C ALA A 2 -3.970 -22.213 -4.936 1.00 13.10 C ATOM 11 O ALA A 2 -2.814 -22.597 -4.729 1.00 2.44 O ATOM 12 CB ALA A 2 -5.590 -23.800 -3.877 1.00 22.42 C ATOM 0 H ALA A 2 -4.317 -25.170 -5.477 1.00 63.42 H new ATOM 0 HA ALA A 2 -5.908 -22.780 -5.735 1.00 43.01 H new ATOM 0 HB1 ALA A 2 -6.024 -22.993 -3.286 1.00 22.42 H new ATOM 0 HB2 ALA A 2 -6.350 -24.557 -4.072 1.00 22.42 H new ATOM 0 HB3 ALA A 2 -4.764 -24.249 -3.326 1.00 22.42 H new ATOM 18 N MET A 3 -4.312 -20.928 -4.938 1.00 53.34 N ATOM 19 CA MET A 3 -3.402 -19.819 -4.684 1.00 1.40 C ATOM 20 C MET A 3 -4.264 -18.589 -4.392 1.00 43.34 C ATOM 21 O MET A 3 -5.334 -18.440 -4.984 1.00 53.13 O ATOM 22 CB MET A 3 -2.477 -19.609 -5.894 1.00 0.20 C ATOM 23 CG MET A 3 -1.514 -18.438 -5.670 1.00 60.14 C ATOM 24 SD MET A 3 -0.094 -18.402 -6.790 1.00 43.15 S ATOM 25 CE MET A 3 0.937 -19.698 -6.054 1.00 62.12 C ATOM 0 H MET A 3 -5.267 -20.621 -5.124 1.00 53.34 H new ATOM 0 HA MET A 3 -2.753 -20.017 -3.831 1.00 1.40 H new ATOM 0 HB2 MET A 3 -1.907 -20.519 -6.080 1.00 0.20 H new ATOM 0 HB3 MET A 3 -3.078 -19.422 -6.784 1.00 0.20 H new ATOM 0 HG2 MET A 3 -2.067 -17.505 -5.777 1.00 60.14 H new ATOM 0 HG3 MET A 3 -1.149 -18.477 -4.644 1.00 60.14 H new ATOM 0 HE1 MET A 3 1.930 -19.299 -5.847 1.00 62.12 H new ATOM 0 HE2 MET A 3 0.483 -20.040 -5.124 1.00 62.12 H new ATOM 0 HE3 MET A 3 1.019 -20.535 -6.747 1.00 62.12 H new ATOM 35 N GLY A 4 -3.822 -17.719 -3.482 1.00 52.11 N ATOM 36 CA GLY A 4 -4.544 -16.515 -3.093 1.00 43.44 C ATOM 37 C GLY A 4 -4.860 -15.633 -4.296 1.00 15.20 C ATOM 38 O GLY A 4 -3.949 -15.267 -5.047 1.00 23.24 O ATOM 0 H GLY A 4 -2.937 -17.837 -2.989 1.00 52.11 H new ATOM 0 HA2 GLY A 4 -5.471 -16.793 -2.592 1.00 43.44 H new ATOM 0 HA3 GLY A 4 -3.950 -15.951 -2.374 1.00 43.44 H new ATOM 42 N LYS A 5 -6.152 -15.350 -4.517 1.00 64.30 N ATOM 43 CA LYS A 5 -6.571 -14.506 -5.628 1.00 31.51 C ATOM 44 C LYS A 5 -6.110 -13.090 -5.330 1.00 52.13 C ATOM 45 O LYS A 5 -6.429 -12.562 -4.262 1.00 72.43 O ATOM 46 CB LYS A 5 -8.073 -14.579 -5.965 1.00 52.11 C ATOM 47 CG LYS A 5 -9.059 -14.591 -4.784 1.00 53.41 C ATOM 48 CD LYS A 5 -9.406 -16.009 -4.299 1.00 35.13 C ATOM 49 CE LYS A 5 -10.668 -16.593 -4.955 1.00 74.52 C ATOM 50 NZ LYS A 5 -10.563 -16.723 -6.423 1.00 54.24 N ATOM 0 H LYS A 5 -6.918 -15.696 -3.939 1.00 64.30 H new ATOM 0 HA LYS A 5 -6.100 -14.881 -6.537 1.00 31.51 H new ATOM 0 HB2 LYS A 5 -8.318 -13.728 -6.601 1.00 52.11 H new ATOM 0 HB3 LYS A 5 -8.243 -15.479 -6.556 1.00 52.11 H new ATOM 0 HG2 LYS A 5 -8.631 -14.025 -3.956 1.00 53.41 H new ATOM 0 HG3 LYS A 5 -9.976 -14.080 -5.079 1.00 53.41 H new ATOM 0 HD2 LYS A 5 -8.563 -16.669 -4.501 1.00 35.13 H new ATOM 0 HD3 LYS A 5 -9.544 -15.990 -3.218 1.00 35.13 H new ATOM 0 HE2 LYS A 5 -10.871 -17.574 -4.525 1.00 74.52 H new ATOM 0 HE3 LYS A 5 -11.520 -15.957 -4.715 1.00 74.52 H new ATOM 0 HZ1 LYS A 5 -11.446 -17.122 -6.800 1.00 54.24 H new ATOM 0 HZ2 LYS A 5 -10.399 -15.786 -6.844 1.00 54.24 H new ATOM 0 HZ3 LYS A 5 -9.770 -17.352 -6.660 1.00 54.24 H new ATOM 64 N THR A 6 -5.360 -12.478 -6.245 1.00 35.42 N ATOM 65 CA THR A 6 -4.874 -11.119 -6.053 1.00 13.24 C ATOM 66 C THR A 6 -6.049 -10.151 -5.876 1.00 43.34 C ATOM 67 O THR A 6 -7.185 -10.449 -6.268 1.00 14.45 O ATOM 68 CB THR A 6 -3.984 -10.704 -7.238 1.00 63.45 C ATOM 69 OG1 THR A 6 -4.710 -10.786 -8.445 1.00 51.01 O ATOM 70 CG2 THR A 6 -2.735 -11.575 -7.360 1.00 32.41 C ATOM 0 H THR A 6 -5.077 -12.905 -7.127 1.00 35.42 H new ATOM 0 HA THR A 6 -4.271 -11.082 -5.145 1.00 13.24 H new ATOM 0 HB THR A 6 -3.669 -9.678 -7.049 1.00 63.45 H new ATOM 0 HG1 THR A 6 -4.135 -10.518 -9.192 1.00 51.01 H new ATOM 0 HG21 THR A 6 -2.141 -11.242 -8.211 1.00 32.41 H new ATOM 0 HG22 THR A 6 -2.143 -11.492 -6.449 1.00 32.41 H new ATOM 0 HG23 THR A 6 -3.029 -12.614 -7.508 1.00 32.41 H new ATOM 78 N PHE A 7 -5.786 -8.954 -5.340 1.00 1.43 N ATOM 79 CA PHE A 7 -6.848 -7.964 -5.150 1.00 24.25 C ATOM 80 C PHE A 7 -7.517 -7.655 -6.502 1.00 72.43 C ATOM 81 O PHE A 7 -8.743 -7.614 -6.593 1.00 54.02 O ATOM 82 CB PHE A 7 -6.342 -6.721 -4.406 1.00 24.12 C ATOM 83 CG PHE A 7 -5.240 -5.947 -5.095 1.00 73.31 C ATOM 84 CD1 PHE A 7 -5.543 -4.942 -6.030 1.00 75.24 C ATOM 85 CD2 PHE A 7 -3.900 -6.227 -4.781 1.00 2.13 C ATOM 86 CE1 PHE A 7 -4.503 -4.249 -6.669 1.00 53.03 C ATOM 87 CE2 PHE A 7 -2.859 -5.562 -5.444 1.00 44.31 C ATOM 88 CZ PHE A 7 -3.164 -4.578 -6.398 1.00 53.34 C ATOM 0 H PHE A 7 -4.861 -8.652 -5.035 1.00 1.43 H new ATOM 0 HA PHE A 7 -7.619 -8.380 -4.501 1.00 24.25 H new ATOM 0 HB2 PHE A 7 -7.185 -6.050 -4.243 1.00 24.12 H new ATOM 0 HB3 PHE A 7 -5.985 -7.029 -3.423 1.00 24.12 H new ATOM 0 HD1 PHE A 7 -6.572 -4.704 -6.256 1.00 75.24 H new ATOM 0 HD2 PHE A 7 -3.670 -6.961 -4.023 1.00 2.13 H new ATOM 0 HE1 PHE A 7 -4.733 -3.461 -7.371 1.00 53.03 H new ATOM 0 HE2 PHE A 7 -1.830 -5.805 -5.223 1.00 44.31 H new ATOM 0 HZ PHE A 7 -2.368 -4.073 -6.925 1.00 53.34 H new ATOM 98 N LYS A 8 -6.733 -7.530 -7.582 1.00 73.10 N ATOM 99 CA LYS A 8 -7.266 -7.264 -8.919 1.00 43.22 C ATOM 100 C LYS A 8 -8.040 -8.465 -9.480 1.00 52.43 C ATOM 101 O LYS A 8 -8.849 -8.296 -10.390 1.00 61.20 O ATOM 102 CB LYS A 8 -6.186 -6.739 -9.891 1.00 55.33 C ATOM 103 CG LYS A 8 -4.837 -7.477 -9.894 1.00 14.40 C ATOM 104 CD LYS A 8 -3.796 -6.834 -8.960 1.00 75.11 C ATOM 105 CE LYS A 8 -2.460 -7.587 -8.990 1.00 3.41 C ATOM 106 NZ LYS A 8 -1.442 -6.932 -8.135 1.00 73.32 N ATOM 0 H LYS A 8 -5.717 -7.611 -7.551 1.00 73.10 H new ATOM 0 HA LYS A 8 -7.990 -6.456 -8.814 1.00 43.22 H new ATOM 0 HB2 LYS A 8 -6.593 -6.772 -10.901 1.00 55.33 H new ATOM 0 HB3 LYS A 8 -5.999 -5.691 -9.657 1.00 55.33 H new ATOM 0 HG2 LYS A 8 -4.995 -8.513 -9.594 1.00 14.40 H new ATOM 0 HG3 LYS A 8 -4.442 -7.496 -10.910 1.00 14.40 H new ATOM 0 HD2 LYS A 8 -3.635 -5.797 -9.255 1.00 75.11 H new ATOM 0 HD3 LYS A 8 -4.182 -6.820 -7.941 1.00 75.11 H new ATOM 0 HE2 LYS A 8 -2.613 -8.612 -8.653 1.00 3.41 H new ATOM 0 HE3 LYS A 8 -2.095 -7.639 -10.016 1.00 3.41 H new ATOM 0 HZ1 LYS A 8 -0.869 -7.658 -7.659 1.00 73.32 H new ATOM 0 HZ2 LYS A 8 -0.826 -6.335 -8.724 1.00 73.32 H new ATOM 0 HZ3 LYS A 8 -1.916 -6.342 -7.421 1.00 73.32 H new ATOM 120 N GLN A 9 -7.798 -9.689 -9.005 1.00 54.41 N ATOM 121 CA GLN A 9 -8.528 -10.868 -9.463 1.00 41.04 C ATOM 122 C GLN A 9 -9.864 -10.942 -8.717 1.00 4.04 C ATOM 123 O GLN A 9 -10.886 -11.226 -9.342 1.00 44.33 O ATOM 124 CB GLN A 9 -7.699 -12.146 -9.271 1.00 4.12 C ATOM 125 CG GLN A 9 -6.662 -12.338 -10.387 1.00 13.32 C ATOM 126 CD GLN A 9 -7.275 -12.888 -11.669 1.00 51.32 C ATOM 127 OE1 GLN A 9 -7.870 -13.961 -11.693 1.00 71.52 O ATOM 128 NE2 GLN A 9 -7.092 -12.208 -12.785 1.00 63.52 N ATOM 0 H GLN A 9 -7.093 -9.888 -8.295 1.00 54.41 H new ATOM 0 HA GLN A 9 -8.722 -10.783 -10.532 1.00 41.04 H new ATOM 0 HB2 GLN A 9 -7.190 -12.106 -8.308 1.00 4.12 H new ATOM 0 HB3 GLN A 9 -8.365 -13.008 -9.244 1.00 4.12 H new ATOM 0 HG2 GLN A 9 -6.181 -11.383 -10.599 1.00 13.32 H new ATOM 0 HG3 GLN A 9 -5.883 -13.017 -10.041 1.00 13.32 H new ATOM 0 HE21 GLN A 9 -6.597 -11.316 -12.764 1.00 63.52 H new ATOM 0 HE22 GLN A 9 -7.445 -12.574 -13.669 1.00 63.52 H new ATOM 137 N ARG A 10 -9.910 -10.643 -7.407 1.00 41.30 N ATOM 138 CA ARG A 10 -11.169 -10.707 -6.650 1.00 33.42 C ATOM 139 C ARG A 10 -12.100 -9.523 -6.939 1.00 62.34 C ATOM 140 O ARG A 10 -13.257 -9.584 -6.533 1.00 31.11 O ATOM 141 CB ARG A 10 -10.934 -10.854 -5.127 1.00 2.41 C ATOM 142 CG ARG A 10 -10.156 -9.694 -4.477 1.00 4.42 C ATOM 143 CD ARG A 10 -10.651 -9.286 -3.084 1.00 4.32 C ATOM 144 NE ARG A 10 -10.436 -10.333 -2.077 1.00 2.32 N ATOM 145 CZ ARG A 10 -11.038 -10.396 -0.883 1.00 52.03 C ATOM 146 NH1 ARG A 10 -11.805 -9.408 -0.438 1.00 21.23 N ATOM 147 NH2 ARG A 10 -10.875 -11.463 -0.118 1.00 44.14 N ATOM 0 H ARG A 10 -9.099 -10.358 -6.857 1.00 41.30 H new ATOM 0 HA ARG A 10 -11.671 -11.609 -7.001 1.00 33.42 H new ATOM 0 HB2 ARG A 10 -11.901 -10.947 -4.632 1.00 2.41 H new ATOM 0 HB3 ARG A 10 -10.393 -11.782 -4.945 1.00 2.41 H new ATOM 0 HG2 ARG A 10 -9.105 -9.975 -4.405 1.00 4.42 H new ATOM 0 HG3 ARG A 10 -10.210 -8.826 -5.134 1.00 4.42 H new ATOM 0 HD2 ARG A 10 -10.137 -8.377 -2.772 1.00 4.32 H new ATOM 0 HD3 ARG A 10 -11.714 -9.050 -3.135 1.00 4.32 H new ATOM 0 HE ARG A 10 -9.773 -11.074 -2.306 1.00 2.32 H new ATOM 0 HH11 ARG A 10 -11.947 -8.575 -1.010 1.00 21.23 H new ATOM 0 HH12 ARG A 10 -12.252 -9.481 0.476 1.00 21.23 H new ATOM 0 HH21 ARG A 10 -10.291 -12.236 -0.438 1.00 44.14 H new ATOM 0 HH22 ARG A 10 -11.333 -11.513 0.792 1.00 44.14 H new ATOM 161 N ARG A 11 -11.640 -8.461 -7.613 1.00 44.03 N ATOM 162 CA ARG A 11 -12.439 -7.280 -7.946 1.00 24.25 C ATOM 163 C ARG A 11 -12.099 -6.863 -9.373 1.00 15.15 C ATOM 164 O ARG A 11 -10.929 -6.596 -9.660 1.00 13.44 O ATOM 165 CB ARG A 11 -12.167 -6.140 -6.944 1.00 71.21 C ATOM 166 CG ARG A 11 -12.523 -6.469 -5.489 1.00 24.21 C ATOM 167 CD ARG A 11 -14.015 -6.682 -5.251 1.00 75.23 C ATOM 168 NE ARG A 11 -14.255 -6.837 -3.819 1.00 53.23 N ATOM 169 CZ ARG A 11 -14.400 -7.948 -3.098 1.00 13.22 C ATOM 170 NH1 ARG A 11 -14.482 -9.149 -3.658 1.00 31.14 N ATOM 171 NH2 ARG A 11 -14.417 -7.854 -1.779 1.00 71.20 N ATOM 0 H ARG A 11 -10.679 -8.400 -7.949 1.00 44.03 H new ATOM 0 HA ARG A 11 -13.502 -7.512 -7.880 1.00 24.25 H new ATOM 0 HB2 ARG A 11 -11.111 -5.874 -6.994 1.00 71.21 H new ATOM 0 HB3 ARG A 11 -12.732 -5.261 -7.252 1.00 71.21 H new ATOM 0 HG2 ARG A 11 -11.985 -7.368 -5.188 1.00 24.21 H new ATOM 0 HG3 ARG A 11 -12.175 -5.659 -4.848 1.00 24.21 H new ATOM 0 HD2 ARG A 11 -14.582 -5.835 -5.637 1.00 75.23 H new ATOM 0 HD3 ARG A 11 -14.358 -7.567 -5.787 1.00 75.23 H new ATOM 0 HE ARG A 11 -14.321 -5.966 -3.293 1.00 53.23 H new ATOM 0 HH11 ARG A 11 -14.434 -9.243 -4.673 1.00 31.14 H new ATOM 0 HH12 ARG A 11 -14.593 -9.978 -3.074 1.00 31.14 H new ATOM 0 HH21 ARG A 11 -14.320 -6.943 -1.331 1.00 71.20 H new ATOM 0 HH22 ARG A 11 -14.527 -8.693 -1.209 1.00 71.20 H new ATOM 185 N THR A 12 -13.086 -6.849 -10.269 1.00 54.11 N ATOM 186 CA THR A 12 -12.916 -6.481 -11.675 1.00 64.11 C ATOM 187 C THR A 12 -12.396 -5.043 -11.857 1.00 1.34 C ATOM 188 O THR A 12 -12.301 -4.279 -10.896 1.00 44.43 O ATOM 189 CB THR A 12 -14.212 -6.776 -12.446 1.00 0.32 C ATOM 190 OG1 THR A 12 -13.957 -6.672 -13.821 1.00 75.30 O ATOM 191 CG2 THR A 12 -15.395 -5.874 -12.094 1.00 74.41 C ATOM 0 H THR A 12 -14.046 -7.098 -10.033 1.00 54.11 H new ATOM 0 HA THR A 12 -12.130 -7.101 -12.106 1.00 64.11 H new ATOM 0 HB THR A 12 -14.508 -7.783 -12.154 1.00 0.32 H new ATOM 0 HG1 THR A 12 -14.778 -6.860 -14.321 1.00 75.30 H new ATOM 0 HG21 THR A 12 -16.261 -6.161 -12.690 1.00 74.41 H new ATOM 0 HG22 THR A 12 -15.632 -5.981 -11.035 1.00 74.41 H new ATOM 0 HG23 THR A 12 -15.137 -4.836 -12.305 1.00 74.41 H new ATOM 199 N PHE A 13 -12.017 -4.674 -13.085 1.00 40.42 N ATOM 200 CA PHE A 13 -11.498 -3.351 -13.416 1.00 3.05 C ATOM 201 C PHE A 13 -12.470 -2.247 -13.026 1.00 3.21 C ATOM 202 O PHE A 13 -12.062 -1.275 -12.392 1.00 12.02 O ATOM 203 CB PHE A 13 -11.159 -3.259 -14.904 1.00 0.05 C ATOM 204 CG PHE A 13 -10.585 -1.905 -15.277 1.00 40.23 C ATOM 205 CD1 PHE A 13 -11.444 -0.827 -15.572 1.00 75.32 C ATOM 206 CD2 PHE A 13 -9.195 -1.690 -15.227 1.00 74.32 C ATOM 207 CE1 PHE A 13 -10.924 0.467 -15.732 1.00 13.12 C ATOM 208 CE2 PHE A 13 -8.676 -0.402 -15.437 1.00 2.02 C ATOM 209 CZ PHE A 13 -9.541 0.686 -15.651 1.00 73.43 C ATOM 0 H PHE A 13 -12.065 -5.301 -13.888 1.00 40.42 H new ATOM 0 HA PHE A 13 -10.586 -3.208 -12.837 1.00 3.05 H new ATOM 0 HB2 PHE A 13 -10.442 -4.039 -15.161 1.00 0.05 H new ATOM 0 HB3 PHE A 13 -12.058 -3.446 -15.492 1.00 0.05 H new ATOM 0 HD1 PHE A 13 -12.506 -0.997 -15.675 1.00 75.32 H new ATOM 0 HD2 PHE A 13 -8.528 -2.515 -15.027 1.00 74.32 H new ATOM 0 HE1 PHE A 13 -11.591 1.296 -15.918 1.00 13.12 H new ATOM 0 HE2 PHE A 13 -7.607 -0.246 -15.434 1.00 2.02 H new ATOM 0 HZ PHE A 13 -9.143 1.685 -15.752 1.00 73.43 H new ATOM 219 N GLU A 14 -13.746 -2.374 -13.390 1.00 44.31 N ATOM 220 CA GLU A 14 -14.731 -1.352 -13.042 1.00 72.44 C ATOM 221 C GLU A 14 -14.795 -1.244 -11.521 1.00 31.42 C ATOM 222 O GLU A 14 -14.725 -0.157 -10.958 1.00 64.30 O ATOM 223 CB GLU A 14 -16.083 -1.674 -13.672 1.00 63.14 C ATOM 224 CG GLU A 14 -15.980 -1.515 -15.194 1.00 21.05 C ATOM 225 CD GLU A 14 -17.333 -1.747 -15.841 1.00 74.33 C ATOM 226 OE1 GLU A 14 -18.128 -0.782 -15.943 1.00 23.12 O ATOM 227 OE2 GLU A 14 -17.615 -2.906 -16.234 1.00 64.02 O ATOM 0 H GLU A 14 -14.118 -3.163 -13.918 1.00 44.31 H new ATOM 0 HA GLU A 14 -14.437 -0.381 -13.442 1.00 72.44 H new ATOM 0 HB2 GLU A 14 -16.382 -2.691 -13.420 1.00 63.14 H new ATOM 0 HB3 GLU A 14 -16.850 -1.009 -13.276 1.00 63.14 H new ATOM 0 HG2 GLU A 14 -15.619 -0.516 -15.438 1.00 21.05 H new ATOM 0 HG3 GLU A 14 -15.253 -2.223 -15.592 1.00 21.05 H new ATOM 234 N GLN A 15 -14.807 -2.392 -10.842 1.00 61.33 N ATOM 235 CA GLN A 15 -14.841 -2.459 -9.398 1.00 3.03 C ATOM 236 C GLN A 15 -13.598 -1.783 -8.800 1.00 3.34 C ATOM 237 O GLN A 15 -13.655 -1.301 -7.674 1.00 0.12 O ATOM 238 CB GLN A 15 -15.003 -3.918 -8.952 1.00 35.12 C ATOM 239 CG GLN A 15 -15.603 -4.050 -7.553 1.00 11.55 C ATOM 240 CD GLN A 15 -16.997 -3.434 -7.466 1.00 52.53 C ATOM 241 OE1 GLN A 15 -17.962 -3.968 -8.018 1.00 13.43 O ATOM 242 NE2 GLN A 15 -17.121 -2.291 -6.816 1.00 0.54 N ATOM 0 H GLN A 15 -14.793 -3.307 -11.294 1.00 61.33 H new ATOM 0 HA GLN A 15 -15.703 -1.908 -9.020 1.00 3.03 H new ATOM 0 HB2 GLN A 15 -15.639 -4.442 -9.665 1.00 35.12 H new ATOM 0 HB3 GLN A 15 -14.030 -4.409 -8.972 1.00 35.12 H new ATOM 0 HG2 GLN A 15 -15.655 -5.104 -7.279 1.00 11.55 H new ATOM 0 HG3 GLN A 15 -14.947 -3.565 -6.830 1.00 11.55 H new ATOM 0 HE21 GLN A 15 -16.308 -1.869 -6.367 1.00 0.54 H new ATOM 0 HE22 GLN A 15 -18.030 -1.831 -6.763 1.00 0.54 H new ATOM 251 N ARG A 16 -12.454 -1.790 -9.495 1.00 20.11 N ATOM 252 CA ARG A 16 -11.216 -1.165 -9.048 1.00 2.05 C ATOM 253 C ARG A 16 -11.348 0.349 -9.143 1.00 44.12 C ATOM 254 O ARG A 16 -10.949 1.026 -8.200 1.00 71.53 O ATOM 255 CB ARG A 16 -10.000 -1.723 -9.803 1.00 33.32 C ATOM 256 CG ARG A 16 -9.426 -2.905 -9.017 1.00 23.54 C ATOM 257 CD ARG A 16 -8.368 -3.688 -9.793 1.00 23.25 C ATOM 258 NE ARG A 16 -8.974 -4.745 -10.616 1.00 32.14 N ATOM 259 CZ ARG A 16 -8.725 -5.033 -11.895 1.00 15.23 C ATOM 260 NH1 ARG A 16 -8.062 -4.215 -12.701 1.00 51.10 N ATOM 261 NH2 ARG A 16 -9.165 -6.185 -12.375 1.00 51.22 N ATOM 0 H ARG A 16 -12.368 -2.243 -10.405 1.00 20.11 H new ATOM 0 HA ARG A 16 -11.040 -1.411 -8.001 1.00 2.05 H new ATOM 0 HB2 ARG A 16 -10.292 -2.042 -10.804 1.00 33.32 H new ATOM 0 HB3 ARG A 16 -9.243 -0.948 -9.924 1.00 33.32 H new ATOM 0 HG2 ARG A 16 -8.988 -2.537 -8.089 1.00 23.54 H new ATOM 0 HG3 ARG A 16 -10.238 -3.578 -8.742 1.00 23.54 H new ATOM 0 HD2 ARG A 16 -7.805 -3.007 -10.431 1.00 23.25 H new ATOM 0 HD3 ARG A 16 -7.658 -4.131 -9.095 1.00 23.25 H new ATOM 0 HE ARG A 16 -9.670 -5.330 -10.153 1.00 32.14 H new ATOM 0 HH11 ARG A 16 -7.718 -3.321 -12.350 1.00 51.10 H new ATOM 0 HH12 ARG A 16 -7.896 -4.480 -13.672 1.00 51.10 H new ATOM 0 HH21 ARG A 16 -9.680 -6.826 -11.771 1.00 51.22 H new ATOM 0 HH22 ARG A 16 -8.990 -6.432 -13.349 1.00 51.22 H new ATOM 275 N VAL A 17 -11.902 0.907 -10.220 1.00 54.02 N ATOM 276 CA VAL A 17 -12.057 2.360 -10.280 1.00 40.43 C ATOM 277 C VAL A 17 -13.114 2.764 -9.232 1.00 71.11 C ATOM 278 O VAL A 17 -12.963 3.793 -8.569 1.00 2.11 O ATOM 279 CB VAL A 17 -12.276 2.861 -11.723 1.00 40.20 C ATOM 280 CG1 VAL A 17 -13.366 2.149 -12.524 1.00 73.31 C ATOM 281 CG2 VAL A 17 -12.547 4.363 -11.737 1.00 75.33 C ATOM 0 H VAL A 17 -12.240 0.397 -11.036 1.00 54.02 H new ATOM 0 HA VAL A 17 -11.138 2.878 -10.007 1.00 40.43 H new ATOM 0 HB VAL A 17 -11.340 2.619 -12.226 1.00 40.20 H new ATOM 0 HG11 VAL A 17 -13.429 2.586 -13.521 1.00 73.31 H new ATOM 0 HG12 VAL A 17 -13.124 1.090 -12.606 1.00 73.31 H new ATOM 0 HG13 VAL A 17 -14.324 2.264 -12.017 1.00 73.31 H new ATOM 0 HG21 VAL A 17 -12.699 4.696 -12.764 1.00 75.33 H new ATOM 0 HG22 VAL A 17 -13.441 4.577 -11.151 1.00 75.33 H new ATOM 0 HG23 VAL A 17 -11.696 4.890 -11.307 1.00 75.33 H new ATOM 291 N GLU A 18 -14.134 1.921 -9.019 1.00 72.54 N ATOM 292 CA GLU A 18 -15.203 2.119 -8.040 1.00 13.21 C ATOM 293 C GLU A 18 -14.627 2.061 -6.618 1.00 55.01 C ATOM 294 O GLU A 18 -15.135 2.707 -5.704 1.00 43.31 O ATOM 295 CB GLU A 18 -16.253 1.015 -8.167 1.00 20.04 C ATOM 296 CG GLU A 18 -17.260 1.209 -9.299 1.00 21.41 C ATOM 297 CD GLU A 18 -18.303 0.095 -9.226 1.00 43.43 C ATOM 298 OE1 GLU A 18 -19.150 0.121 -8.296 1.00 35.33 O ATOM 299 OE2 GLU A 18 -18.268 -0.824 -10.076 1.00 75.22 O ATOM 0 H GLU A 18 -14.238 1.053 -9.544 1.00 72.54 H new ATOM 0 HA GLU A 18 -15.658 3.091 -8.229 1.00 13.21 H new ATOM 0 HB2 GLU A 18 -15.742 0.064 -8.315 1.00 20.04 H new ATOM 0 HB3 GLU A 18 -16.797 0.942 -7.225 1.00 20.04 H new ATOM 0 HG2 GLU A 18 -17.741 2.183 -9.213 1.00 21.41 H new ATOM 0 HG3 GLU A 18 -16.752 1.188 -10.263 1.00 21.41 H new ATOM 306 N ASP A 19 -13.580 1.268 -6.422 1.00 0.21 N ATOM 307 CA ASP A 19 -12.862 1.083 -5.168 1.00 40.01 C ATOM 308 C ASP A 19 -12.065 2.363 -4.896 1.00 2.32 C ATOM 309 O ASP A 19 -12.180 2.952 -3.818 1.00 60.34 O ATOM 310 CB ASP A 19 -11.999 -0.180 -5.316 1.00 33.51 C ATOM 311 CG ASP A 19 -10.834 -0.337 -4.369 1.00 73.14 C ATOM 312 OD1 ASP A 19 -10.907 0.199 -3.256 1.00 75.50 O ATOM 313 OD2 ASP A 19 -9.925 -1.147 -4.693 1.00 41.42 O ATOM 0 H ASP A 19 -13.188 0.705 -7.177 1.00 0.21 H new ATOM 0 HA ASP A 19 -13.512 0.928 -4.307 1.00 40.01 H new ATOM 0 HB2 ASP A 19 -12.648 -1.048 -5.199 1.00 33.51 H new ATOM 0 HB3 ASP A 19 -11.612 -0.207 -6.335 1.00 33.51 H new ATOM 318 N VAL A 20 -11.316 2.856 -5.892 1.00 44.12 N ATOM 319 CA VAL A 20 -10.538 4.081 -5.728 1.00 75.22 C ATOM 320 C VAL A 20 -11.484 5.248 -5.439 1.00 31.31 C ATOM 321 O VAL A 20 -11.284 5.941 -4.440 1.00 72.14 O ATOM 322 CB VAL A 20 -9.637 4.377 -6.946 1.00 62.14 C ATOM 323 CG1 VAL A 20 -8.815 5.655 -6.722 1.00 31.53 C ATOM 324 CG2 VAL A 20 -8.611 3.268 -7.172 1.00 74.51 C ATOM 0 H VAL A 20 -11.236 2.425 -6.813 1.00 44.12 H new ATOM 0 HA VAL A 20 -9.864 3.944 -4.882 1.00 75.22 H new ATOM 0 HB VAL A 20 -10.311 4.470 -7.797 1.00 62.14 H new ATOM 0 HG11 VAL A 20 -8.188 5.842 -7.594 1.00 31.53 H new ATOM 0 HG12 VAL A 20 -9.488 6.499 -6.571 1.00 31.53 H new ATOM 0 HG13 VAL A 20 -8.184 5.532 -5.842 1.00 31.53 H new ATOM 0 HG21 VAL A 20 -7.996 3.513 -8.038 1.00 74.51 H new ATOM 0 HG22 VAL A 20 -7.976 3.174 -6.291 1.00 74.51 H new ATOM 0 HG23 VAL A 20 -9.128 2.325 -7.349 1.00 74.51 H new ATOM 334 N ARG A 21 -12.510 5.484 -6.268 1.00 71.11 N ATOM 335 CA ARG A 21 -13.435 6.599 -6.053 1.00 5.44 C ATOM 336 C ARG A 21 -14.142 6.477 -4.703 1.00 51.42 C ATOM 337 O ARG A 21 -14.375 7.507 -4.068 1.00 23.45 O ATOM 338 CB ARG A 21 -14.390 6.791 -7.250 1.00 1.04 C ATOM 339 CG ARG A 21 -15.432 5.677 -7.407 1.00 0.11 C ATOM 340 CD ARG A 21 -16.846 6.102 -6.996 1.00 55.54 C ATOM 341 NE ARG A 21 -17.550 6.667 -8.156 1.00 54.43 N ATOM 342 CZ ARG A 21 -18.207 5.964 -9.085 1.00 74.11 C ATOM 343 NH1 ARG A 21 -18.598 4.714 -8.841 1.00 41.40 N ATOM 344 NH2 ARG A 21 -18.415 6.529 -10.267 1.00 61.31 N ATOM 0 H ARG A 21 -12.718 4.918 -7.091 1.00 71.11 H new ATOM 0 HA ARG A 21 -12.856 7.521 -6.002 1.00 5.44 H new ATOM 0 HB2 ARG A 21 -14.907 7.744 -7.139 1.00 1.04 H new ATOM 0 HB3 ARG A 21 -13.800 6.853 -8.165 1.00 1.04 H new ATOM 0 HG2 ARG A 21 -15.447 5.348 -8.446 1.00 0.11 H new ATOM 0 HG3 ARG A 21 -15.129 4.820 -6.806 1.00 0.11 H new ATOM 0 HD2 ARG A 21 -17.395 5.245 -6.607 1.00 55.54 H new ATOM 0 HD3 ARG A 21 -16.796 6.839 -6.194 1.00 55.54 H new ATOM 0 HE ARG A 21 -17.536 7.681 -8.261 1.00 54.43 H new ATOM 0 HH11 ARG A 21 -18.397 4.284 -7.938 1.00 41.40 H new ATOM 0 HH12 ARG A 21 -19.098 4.187 -9.557 1.00 41.40 H new ATOM 0 HH21 ARG A 21 -18.077 7.474 -10.447 1.00 61.31 H new ATOM 0 HH22 ARG A 21 -18.913 6.018 -10.996 1.00 61.31 H new ATOM 358 N LEU A 22 -14.461 5.256 -4.250 1.00 44.43 N ATOM 359 CA LEU A 22 -15.112 5.038 -2.964 1.00 52.42 C ATOM 360 C LEU A 22 -14.169 5.561 -1.881 1.00 4.04 C ATOM 361 O LEU A 22 -14.572 6.374 -1.052 1.00 24.32 O ATOM 362 CB LEU A 22 -15.436 3.549 -2.746 1.00 33.01 C ATOM 363 CG LEU A 22 -15.800 3.175 -1.295 1.00 22.33 C ATOM 364 CD1 LEU A 22 -17.040 3.926 -0.806 1.00 33.12 C ATOM 365 CD2 LEU A 22 -16.055 1.669 -1.201 1.00 22.44 C ATOM 0 H LEU A 22 -14.273 4.398 -4.768 1.00 44.43 H new ATOM 0 HA LEU A 22 -16.064 5.568 -2.928 1.00 52.42 H new ATOM 0 HB2 LEU A 22 -16.265 3.272 -3.397 1.00 33.01 H new ATOM 0 HB3 LEU A 22 -14.576 2.955 -3.055 1.00 33.01 H new ATOM 0 HG LEU A 22 -14.960 3.459 -0.661 1.00 22.33 H new ATOM 0 HD11 LEU A 22 -17.262 3.633 0.220 1.00 33.12 H new ATOM 0 HD12 LEU A 22 -16.854 4.999 -0.845 1.00 33.12 H new ATOM 0 HD13 LEU A 22 -17.889 3.681 -1.444 1.00 33.12 H new ATOM 0 HD21 LEU A 22 -16.312 1.407 -0.175 1.00 22.44 H new ATOM 0 HD22 LEU A 22 -16.878 1.397 -1.862 1.00 22.44 H new ATOM 0 HD23 LEU A 22 -15.157 1.129 -1.499 1.00 22.44 H new ATOM 377 N ILE A 23 -12.905 5.121 -1.885 1.00 4.41 N ATOM 378 CA ILE A 23 -11.924 5.575 -0.902 1.00 73.10 C ATOM 379 C ILE A 23 -11.744 7.079 -1.003 1.00 50.11 C ATOM 380 O ILE A 23 -11.682 7.739 0.026 1.00 73.51 O ATOM 381 CB ILE A 23 -10.590 4.819 -1.050 1.00 71.40 C ATOM 382 CG1 ILE A 23 -10.727 3.365 -0.562 1.00 50.22 C ATOM 383 CG2 ILE A 23 -9.413 5.505 -0.323 1.00 34.24 C ATOM 384 CD1 ILE A 23 -11.325 3.154 0.839 1.00 14.32 C ATOM 0 H ILE A 23 -12.541 4.450 -2.561 1.00 4.41 H new ATOM 0 HA ILE A 23 -12.298 5.349 0.096 1.00 73.10 H new ATOM 0 HB ILE A 23 -10.358 4.830 -2.115 1.00 71.40 H new ATOM 0 HG12 ILE A 23 -11.344 2.823 -1.279 1.00 50.22 H new ATOM 0 HG13 ILE A 23 -9.738 2.906 -0.581 1.00 50.22 H new ATOM 0 HG21 ILE A 23 -8.505 4.920 -0.468 1.00 34.24 H new ATOM 0 HG22 ILE A 23 -9.268 6.506 -0.729 1.00 34.24 H new ATOM 0 HG23 ILE A 23 -9.634 5.574 0.742 1.00 34.24 H new ATOM 0 HD11 ILE A 23 -11.366 2.087 1.060 1.00 14.32 H new ATOM 0 HD12 ILE A 23 -10.702 3.655 1.580 1.00 14.32 H new ATOM 0 HD13 ILE A 23 -12.332 3.570 0.871 1.00 14.32 H new ATOM 396 N ARG A 24 -11.673 7.643 -2.206 1.00 11.42 N ATOM 397 CA ARG A 24 -11.506 9.082 -2.362 1.00 70.23 C ATOM 398 C ARG A 24 -12.691 9.841 -1.755 1.00 70.12 C ATOM 399 O ARG A 24 -12.520 10.977 -1.327 1.00 62.54 O ATOM 400 CB ARG A 24 -11.372 9.434 -3.848 1.00 70.22 C ATOM 401 CG ARG A 24 -10.227 8.768 -4.633 1.00 31.11 C ATOM 402 CD ARG A 24 -9.097 9.753 -4.865 1.00 44.10 C ATOM 403 NE ARG A 24 -8.431 10.014 -3.589 1.00 53.12 N ATOM 404 CZ ARG A 24 -8.397 11.150 -2.886 1.00 50.10 C ATOM 405 NH1 ARG A 24 -9.044 12.234 -3.303 1.00 65.52 N ATOM 406 NH2 ARG A 24 -7.729 11.190 -1.742 1.00 33.32 N ATOM 0 H ARG A 24 -11.728 7.126 -3.083 1.00 11.42 H new ATOM 0 HA ARG A 24 -10.600 9.379 -1.834 1.00 70.23 H new ATOM 0 HB2 ARG A 24 -12.311 9.180 -4.340 1.00 70.22 H new ATOM 0 HB3 ARG A 24 -11.252 10.514 -3.929 1.00 70.22 H new ATOM 0 HG2 ARG A 24 -9.856 7.903 -4.083 1.00 31.11 H new ATOM 0 HG3 ARG A 24 -10.599 8.401 -5.589 1.00 31.11 H new ATOM 0 HD2 ARG A 24 -8.386 9.349 -5.586 1.00 44.10 H new ATOM 0 HD3 ARG A 24 -9.485 10.681 -5.285 1.00 44.10 H new ATOM 0 HE ARG A 24 -7.927 9.226 -3.183 1.00 53.12 H new ATOM 0 HH11 ARG A 24 -9.577 12.207 -4.172 1.00 65.52 H new ATOM 0 HH12 ARG A 24 -9.007 13.093 -2.754 1.00 65.52 H new ATOM 0 HH21 ARG A 24 -7.246 10.358 -1.404 1.00 33.32 H new ATOM 0 HH22 ARG A 24 -7.698 12.053 -1.199 1.00 33.32 H new ATOM 420 N GLU A 25 -13.879 9.235 -1.731 1.00 44.23 N ATOM 421 CA GLU A 25 -15.093 9.820 -1.188 1.00 51.41 C ATOM 422 C GLU A 25 -15.126 9.724 0.339 1.00 74.43 C ATOM 423 O GLU A 25 -15.302 10.747 0.998 1.00 3.53 O ATOM 424 CB GLU A 25 -16.302 9.154 -1.862 1.00 43.34 C ATOM 425 CG GLU A 25 -17.652 9.714 -1.405 1.00 44.40 C ATOM 426 CD GLU A 25 -18.739 9.282 -2.389 1.00 3.52 C ATOM 427 OE1 GLU A 25 -19.328 8.183 -2.242 1.00 45.32 O ATOM 428 OE2 GLU A 25 -18.924 9.998 -3.400 1.00 63.01 O ATOM 0 H GLU A 25 -14.021 8.295 -2.102 1.00 44.23 H new ATOM 0 HA GLU A 25 -15.125 10.887 -1.408 1.00 51.41 H new ATOM 0 HB2 GLU A 25 -16.216 9.275 -2.942 1.00 43.34 H new ATOM 0 HB3 GLU A 25 -16.276 8.084 -1.658 1.00 43.34 H new ATOM 0 HG2 GLU A 25 -17.888 9.353 -0.404 1.00 44.40 H new ATOM 0 HG3 GLU A 25 -17.607 10.802 -1.350 1.00 44.40 H new ATOM 435 N GLN A 26 -14.958 8.530 0.923 1.00 45.44 N ATOM 436 CA GLN A 26 -14.992 8.377 2.381 1.00 41.13 C ATOM 437 C GLN A 26 -13.721 8.905 3.056 1.00 73.54 C ATOM 438 O GLN A 26 -13.771 9.457 4.155 1.00 12.03 O ATOM 439 CB GLN A 26 -15.257 6.912 2.776 1.00 13.22 C ATOM 440 CG GLN A 26 -14.155 5.905 2.429 1.00 5.42 C ATOM 441 CD GLN A 26 -14.442 4.540 3.048 1.00 14.14 C ATOM 442 OE1 GLN A 26 -14.014 4.263 4.161 1.00 74.22 O ATOM 443 NE2 GLN A 26 -15.155 3.663 2.364 1.00 14.13 N ATOM 0 H GLN A 26 -14.798 7.662 0.411 1.00 45.44 H new ATOM 0 HA GLN A 26 -15.819 8.988 2.743 1.00 41.13 H new ATOM 0 HB2 GLN A 26 -15.429 6.874 3.852 1.00 13.22 H new ATOM 0 HB3 GLN A 26 -16.180 6.589 2.294 1.00 13.22 H new ATOM 0 HG2 GLN A 26 -14.076 5.807 1.346 1.00 5.42 H new ATOM 0 HG3 GLN A 26 -13.194 6.275 2.787 1.00 5.42 H new ATOM 0 HE21 GLN A 26 -15.507 3.904 1.437 1.00 14.13 H new ATOM 0 HE22 GLN A 26 -15.353 2.745 2.763 1.00 14.13 H new ATOM 452 N HIS A 27 -12.577 8.787 2.382 1.00 71.12 N ATOM 453 CA HIS A 27 -11.275 9.196 2.877 1.00 32.25 C ATOM 454 C HIS A 27 -10.522 10.080 1.871 1.00 13.14 C ATOM 455 O HIS A 27 -9.502 9.671 1.304 1.00 22.21 O ATOM 456 CB HIS A 27 -10.481 7.939 3.263 1.00 71.22 C ATOM 457 CG HIS A 27 -11.001 7.229 4.486 1.00 54.40 C ATOM 458 ND1 HIS A 27 -11.267 7.820 5.700 1.00 5.42 N ATOM 459 CD2 HIS A 27 -11.231 5.888 4.619 1.00 32.53 C ATOM 460 CE1 HIS A 27 -11.636 6.855 6.555 1.00 42.10 C ATOM 461 NE2 HIS A 27 -11.575 5.656 5.953 1.00 21.25 N ATOM 0 H HIS A 27 -12.537 8.389 1.444 1.00 71.12 H new ATOM 0 HA HIS A 27 -11.406 9.819 3.762 1.00 32.25 H new ATOM 0 HB2 HIS A 27 -10.491 7.245 2.423 1.00 71.22 H new ATOM 0 HB3 HIS A 27 -9.441 8.218 3.434 1.00 71.22 H new ATOM 0 HD2 HIS A 27 -11.160 5.146 3.838 1.00 32.53 H new ATOM 0 HE1 HIS A 27 -11.938 7.018 7.579 1.00 42.10 H new ATOM 0 HE2 HIS A 27 -11.747 4.749 6.387 1.00 21.25 H new ATOM 469 N PRO A 28 -10.955 11.336 1.668 1.00 52.10 N ATOM 470 CA PRO A 28 -10.308 12.241 0.726 1.00 44.22 C ATOM 471 C PRO A 28 -8.886 12.644 1.138 1.00 34.15 C ATOM 472 O PRO A 28 -8.113 13.061 0.278 1.00 33.55 O ATOM 473 CB PRO A 28 -11.244 13.446 0.613 1.00 2.43 C ATOM 474 CG PRO A 28 -12.000 13.450 1.941 1.00 72.32 C ATOM 475 CD PRO A 28 -12.123 11.964 2.266 1.00 4.12 C ATOM 0 HA PRO A 28 -10.161 11.750 -0.236 1.00 44.22 H new ATOM 0 HB2 PRO A 28 -10.688 14.372 0.467 1.00 2.43 H new ATOM 0 HB3 PRO A 28 -11.924 13.346 -0.233 1.00 2.43 H new ATOM 0 HG2 PRO A 28 -11.454 13.989 2.715 1.00 72.32 H new ATOM 0 HG3 PRO A 28 -12.976 13.926 1.849 1.00 72.32 H new ATOM 0 HD2 PRO A 28 -12.149 11.799 3.343 1.00 4.12 H new ATOM 0 HD3 PRO A 28 -13.044 11.548 1.858 1.00 4.12 H new ATOM 483 N THR A 29 -8.509 12.496 2.410 1.00 3.11 N ATOM 484 CA THR A 29 -7.179 12.843 2.909 1.00 63.43 C ATOM 485 C THR A 29 -6.216 11.642 2.841 1.00 21.34 C ATOM 486 O THR A 29 -5.081 11.732 3.319 1.00 10.02 O ATOM 487 CB THR A 29 -7.305 13.381 4.346 1.00 63.31 C ATOM 488 OG1 THR A 29 -7.813 12.381 5.204 1.00 14.41 O ATOM 489 CG2 THR A 29 -8.244 14.578 4.475 1.00 52.33 C ATOM 0 H THR A 29 -9.128 12.127 3.131 1.00 3.11 H new ATOM 0 HA THR A 29 -6.753 13.618 2.272 1.00 63.43 H new ATOM 0 HB THR A 29 -6.296 13.690 4.619 1.00 63.31 H new ATOM 0 HG1 THR A 29 -7.886 12.737 6.114 1.00 14.41 H new ATOM 0 HG21 THR A 29 -8.281 14.901 5.515 1.00 52.33 H new ATOM 0 HG22 THR A 29 -7.878 15.396 3.854 1.00 52.33 H new ATOM 0 HG23 THR A 29 -9.244 14.293 4.147 1.00 52.33 H new ATOM 497 N LYS A 30 -6.655 10.492 2.308 1.00 74.22 N ATOM 498 CA LYS A 30 -5.836 9.288 2.197 1.00 5.01 C ATOM 499 C LYS A 30 -5.607 8.941 0.733 1.00 34.20 C ATOM 500 O LYS A 30 -6.404 9.287 -0.146 1.00 21.33 O ATOM 501 CB LYS A 30 -6.520 8.100 2.892 1.00 51.33 C ATOM 502 CG LYS A 30 -6.678 8.202 4.418 1.00 64.52 C ATOM 503 CD LYS A 30 -5.318 8.225 5.133 1.00 34.22 C ATOM 504 CE LYS A 30 -5.249 7.759 6.599 1.00 11.43 C ATOM 505 NZ LYS A 30 -6.550 7.502 7.255 1.00 32.43 N ATOM 0 H LYS A 30 -7.599 10.376 1.940 1.00 74.22 H new ATOM 0 HA LYS A 30 -4.880 9.485 2.682 1.00 5.01 H new ATOM 0 HB2 LYS A 30 -7.510 7.971 2.454 1.00 51.33 H new ATOM 0 HB3 LYS A 30 -5.951 7.198 2.667 1.00 51.33 H new ATOM 0 HG2 LYS A 30 -7.234 9.106 4.666 1.00 64.52 H new ATOM 0 HG3 LYS A 30 -7.264 7.357 4.780 1.00 64.52 H new ATOM 0 HD2 LYS A 30 -4.630 7.607 4.556 1.00 34.22 H new ATOM 0 HD3 LYS A 30 -4.939 9.246 5.092 1.00 34.22 H new ATOM 0 HE2 LYS A 30 -4.655 6.846 6.643 1.00 11.43 H new ATOM 0 HE3 LYS A 30 -4.716 8.514 7.176 1.00 11.43 H new ATOM 0 HZ1 LYS A 30 -6.399 7.327 8.269 1.00 32.43 H new ATOM 0 HZ2 LYS A 30 -7.169 8.329 7.135 1.00 32.43 H new ATOM 0 HZ3 LYS A 30 -6.998 6.669 6.823 1.00 32.43 H new ATOM 519 N ILE A 31 -4.540 8.191 0.483 1.00 65.35 N ATOM 520 CA ILE A 31 -4.143 7.718 -0.825 1.00 31.22 C ATOM 521 C ILE A 31 -4.288 6.200 -0.824 1.00 25.23 C ATOM 522 O ILE A 31 -3.667 5.551 0.033 1.00 24.22 O ATOM 523 CB ILE A 31 -2.676 8.065 -1.166 1.00 41.25 C ATOM 524 CG1 ILE A 31 -2.406 9.560 -1.397 1.00 2.43 C ATOM 525 CG2 ILE A 31 -2.204 7.301 -2.427 1.00 45.05 C ATOM 526 CD1 ILE A 31 -3.433 10.341 -2.207 1.00 30.40 C ATOM 0 H ILE A 31 -3.906 7.887 1.222 1.00 65.35 H new ATOM 0 HA ILE A 31 -4.774 8.202 -1.570 1.00 31.22 H new ATOM 0 HB ILE A 31 -2.118 7.762 -0.280 1.00 41.25 H new ATOM 0 HG12 ILE A 31 -2.310 10.039 -0.423 1.00 2.43 H new ATOM 0 HG13 ILE A 31 -1.441 9.655 -1.895 1.00 2.43 H new ATOM 0 HG21 ILE A 31 -1.169 7.563 -2.645 1.00 45.05 H new ATOM 0 HG22 ILE A 31 -2.277 6.228 -2.251 1.00 45.05 H new ATOM 0 HG23 ILE A 31 -2.833 7.573 -3.274 1.00 45.05 H new ATOM 0 HD11 ILE A 31 -3.116 11.380 -2.291 1.00 30.40 H new ATOM 0 HD12 ILE A 31 -3.518 9.906 -3.203 1.00 30.40 H new ATOM 0 HD13 ILE A 31 -4.401 10.296 -1.707 1.00 30.40 H new ATOM 538 N PRO A 32 -5.078 5.640 -1.759 1.00 4.03 N ATOM 539 CA PRO A 32 -5.221 4.206 -1.901 1.00 22.13 C ATOM 540 C PRO A 32 -3.912 3.751 -2.587 1.00 23.53 C ATOM 541 O PRO A 32 -3.689 3.977 -3.787 1.00 71.53 O ATOM 542 CB PRO A 32 -6.476 4.008 -2.766 1.00 11.41 C ATOM 543 CG PRO A 32 -6.672 5.328 -3.525 1.00 10.42 C ATOM 544 CD PRO A 32 -5.856 6.355 -2.762 1.00 24.10 C ATOM 0 HA PRO A 32 -5.351 3.633 -0.983 1.00 22.13 H new ATOM 0 HB2 PRO A 32 -6.347 3.175 -3.457 1.00 11.41 H new ATOM 0 HB3 PRO A 32 -7.345 3.779 -2.149 1.00 11.41 H new ATOM 0 HG2 PRO A 32 -6.331 5.243 -4.557 1.00 10.42 H new ATOM 0 HG3 PRO A 32 -7.725 5.609 -3.560 1.00 10.42 H new ATOM 0 HD2 PRO A 32 -5.199 6.902 -3.438 1.00 24.10 H new ATOM 0 HD3 PRO A 32 -6.509 7.089 -2.289 1.00 24.10 H new ATOM 552 N VAL A 33 -3.036 3.101 -1.820 1.00 64.55 N ATOM 553 CA VAL A 33 -1.744 2.607 -2.287 1.00 4.42 C ATOM 554 C VAL A 33 -1.708 1.083 -2.081 1.00 54.12 C ATOM 555 O VAL A 33 -2.344 0.544 -1.169 1.00 63.34 O ATOM 556 CB VAL A 33 -0.572 3.399 -1.620 1.00 25.44 C ATOM 557 CG1 VAL A 33 -0.634 3.366 -0.092 1.00 51.21 C ATOM 558 CG2 VAL A 33 0.796 2.844 -2.045 1.00 45.35 C ATOM 0 H VAL A 33 -3.211 2.900 -0.835 1.00 64.55 H new ATOM 0 HA VAL A 33 -1.608 2.784 -3.354 1.00 4.42 H new ATOM 0 HB VAL A 33 -0.688 4.427 -1.962 1.00 25.44 H new ATOM 0 HG11 VAL A 33 0.203 3.931 0.318 1.00 51.21 H new ATOM 0 HG12 VAL A 33 -1.571 3.810 0.244 1.00 51.21 H new ATOM 0 HG13 VAL A 33 -0.578 2.333 0.252 1.00 51.21 H new ATOM 0 HG21 VAL A 33 1.587 3.418 -1.563 1.00 45.35 H new ATOM 0 HG22 VAL A 33 0.873 1.798 -1.747 1.00 45.35 H new ATOM 0 HG23 VAL A 33 0.900 2.921 -3.127 1.00 45.35 H new ATOM 568 N ILE A 34 -0.982 0.378 -2.944 1.00 13.34 N ATOM 569 CA ILE A 34 -0.792 -1.063 -2.933 1.00 62.12 C ATOM 570 C ILE A 34 0.636 -1.298 -2.457 1.00 41.01 C ATOM 571 O ILE A 34 1.556 -0.709 -3.009 1.00 53.04 O ATOM 572 CB ILE A 34 -0.965 -1.631 -4.363 1.00 71.12 C ATOM 573 CG1 ILE A 34 -2.339 -1.331 -4.997 1.00 71.34 C ATOM 574 CG2 ILE A 34 -0.663 -3.139 -4.427 1.00 62.52 C ATOM 575 CD1 ILE A 34 -3.541 -1.838 -4.196 1.00 2.02 C ATOM 0 H ILE A 34 -0.483 0.826 -3.713 1.00 13.34 H new ATOM 0 HA ILE A 34 -1.519 -1.555 -2.286 1.00 62.12 H new ATOM 0 HB ILE A 34 -0.225 -1.100 -4.961 1.00 71.12 H new ATOM 0 HG12 ILE A 34 -2.436 -0.253 -5.127 1.00 71.34 H new ATOM 0 HG13 ILE A 34 -2.369 -1.776 -5.992 1.00 71.34 H new ATOM 0 HG21 ILE A 34 -0.797 -3.494 -5.449 1.00 62.52 H new ATOM 0 HG22 ILE A 34 0.365 -3.318 -4.113 1.00 62.52 H new ATOM 0 HG23 ILE A 34 -1.343 -3.675 -3.765 1.00 62.52 H new ATOM 0 HD11 ILE A 34 -4.462 -1.581 -4.720 1.00 2.02 H new ATOM 0 HD12 ILE A 34 -3.475 -2.921 -4.087 1.00 2.02 H new ATOM 0 HD13 ILE A 34 -3.543 -1.374 -3.210 1.00 2.02 H new ATOM 587 N ILE A 35 0.826 -2.148 -1.457 1.00 71.44 N ATOM 588 CA ILE A 35 2.099 -2.537 -0.877 1.00 2.01 C ATOM 589 C ILE A 35 2.152 -4.023 -1.188 1.00 72.34 C ATOM 590 O ILE A 35 1.372 -4.799 -0.635 1.00 14.21 O ATOM 591 CB ILE A 35 2.117 -2.239 0.636 1.00 1.03 C ATOM 592 CG1 ILE A 35 1.977 -0.735 0.934 1.00 11.01 C ATOM 593 CG2 ILE A 35 3.354 -2.808 1.357 1.00 15.00 C ATOM 594 CD1 ILE A 35 3.055 0.188 0.354 1.00 63.55 C ATOM 0 H ILE A 35 0.041 -2.613 -1.001 1.00 71.44 H new ATOM 0 HA ILE A 35 2.962 -1.999 -1.269 1.00 2.01 H new ATOM 0 HB ILE A 35 1.244 -2.756 1.034 1.00 1.03 H new ATOM 0 HG12 ILE A 35 1.009 -0.403 0.560 1.00 11.01 H new ATOM 0 HG13 ILE A 35 1.963 -0.603 2.016 1.00 11.01 H new ATOM 0 HG21 ILE A 35 3.302 -2.562 2.418 1.00 15.00 H new ATOM 0 HG22 ILE A 35 3.379 -3.891 1.237 1.00 15.00 H new ATOM 0 HG23 ILE A 35 4.257 -2.374 0.928 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.841 1.219 0.636 1.00 63.55 H new ATOM 0 HD12 ILE A 35 4.030 -0.100 0.746 1.00 63.55 H new ATOM 0 HD13 ILE A 35 3.061 0.102 -0.733 1.00 63.55 H new ATOM 606 N GLU A 36 3.048 -4.419 -2.084 1.00 22.50 N ATOM 607 CA GLU A 36 3.179 -5.819 -2.487 1.00 71.33 C ATOM 608 C GLU A 36 4.635 -6.308 -2.413 1.00 20.53 C ATOM 609 O GLU A 36 5.602 -5.575 -2.663 1.00 32.54 O ATOM 610 CB GLU A 36 2.451 -6.017 -3.845 1.00 72.43 C ATOM 611 CG GLU A 36 1.805 -7.408 -4.009 1.00 51.33 C ATOM 612 CD GLU A 36 0.556 -7.474 -4.919 1.00 63.45 C ATOM 613 OE1 GLU A 36 0.434 -6.746 -5.936 1.00 24.50 O ATOM 614 OE2 GLU A 36 -0.342 -8.292 -4.592 1.00 42.23 O ATOM 0 H GLU A 36 3.700 -3.788 -2.550 1.00 22.50 H new ATOM 0 HA GLU A 36 2.678 -6.478 -1.778 1.00 71.33 H new ATOM 0 HB2 GLU A 36 1.679 -5.254 -3.947 1.00 72.43 H new ATOM 0 HB3 GLU A 36 3.164 -5.860 -4.655 1.00 72.43 H new ATOM 0 HG2 GLU A 36 2.556 -8.091 -4.407 1.00 51.33 H new ATOM 0 HG3 GLU A 36 1.530 -7.777 -3.021 1.00 51.33 H new ATOM 621 N ARG A 37 4.796 -7.564 -1.999 1.00 71.55 N ATOM 622 CA ARG A 37 6.092 -8.207 -1.853 1.00 44.31 C ATOM 623 C ARG A 37 6.658 -8.432 -3.248 1.00 75.31 C ATOM 624 O ARG A 37 5.915 -8.921 -4.115 1.00 0.03 O ATOM 625 CB ARG A 37 5.877 -9.521 -1.075 1.00 1.04 C ATOM 626 CG ARG A 37 7.164 -10.345 -0.934 1.00 75.53 C ATOM 627 CD ARG A 37 6.954 -11.843 -1.097 1.00 23.41 C ATOM 628 NE ARG A 37 6.423 -12.199 -2.419 1.00 40.33 N ATOM 629 CZ ARG A 37 6.075 -13.436 -2.794 1.00 31.21 C ATOM 630 NH1 ARG A 37 6.246 -14.464 -1.965 1.00 20.54 N ATOM 631 NH2 ARG A 37 5.565 -13.628 -4.001 1.00 54.43 N ATOM 0 H ARG A 37 4.013 -8.170 -1.753 1.00 71.55 H new ATOM 0 HA ARG A 37 6.807 -7.601 -1.297 1.00 44.31 H new ATOM 0 HB2 ARG A 37 5.487 -9.291 -0.083 1.00 1.04 H new ATOM 0 HB3 ARG A 37 5.121 -10.120 -1.584 1.00 1.04 H new ATOM 0 HG2 ARG A 37 7.885 -10.005 -1.677 1.00 75.53 H new ATOM 0 HG3 ARG A 37 7.602 -10.153 0.046 1.00 75.53 H new ATOM 0 HD2 ARG A 37 7.902 -12.358 -0.940 1.00 23.41 H new ATOM 0 HD3 ARG A 37 6.268 -12.196 -0.327 1.00 23.41 H new ATOM 0 HE ARG A 37 6.311 -11.449 -3.101 1.00 40.33 H new ATOM 0 HH11 ARG A 37 6.644 -14.311 -1.038 1.00 20.54 H new ATOM 0 HH12 ARG A 37 5.979 -15.404 -2.257 1.00 20.54 H new ATOM 0 HH21 ARG A 37 5.441 -12.838 -4.634 1.00 54.43 H new ATOM 0 HH22 ARG A 37 5.296 -14.566 -4.298 1.00 54.43 H new ATOM 645 N TYR A 38 7.922 -8.103 -3.505 1.00 44.42 N ATOM 646 CA TYR A 38 8.501 -8.318 -4.826 1.00 62.25 C ATOM 647 C TYR A 38 8.603 -9.820 -5.141 1.00 40.34 C ATOM 648 O TYR A 38 8.627 -10.666 -4.241 1.00 12.44 O ATOM 649 CB TYR A 38 9.867 -7.636 -4.916 1.00 20.10 C ATOM 650 CG TYR A 38 10.523 -7.766 -6.274 1.00 22.43 C ATOM 651 CD1 TYR A 38 9.814 -7.401 -7.436 1.00 23.32 C ATOM 652 CD2 TYR A 38 11.821 -8.298 -6.379 1.00 64.32 C ATOM 653 CE1 TYR A 38 10.385 -7.598 -8.702 1.00 40.32 C ATOM 654 CE2 TYR A 38 12.403 -8.478 -7.644 1.00 24.10 C ATOM 655 CZ TYR A 38 11.690 -8.123 -8.811 1.00 3.04 C ATOM 656 OH TYR A 38 12.237 -8.305 -10.041 1.00 21.33 O ATOM 0 H TYR A 38 8.558 -7.691 -2.823 1.00 44.42 H new ATOM 0 HA TYR A 38 7.846 -7.872 -5.574 1.00 62.25 H new ATOM 0 HB2 TYR A 38 9.752 -6.579 -4.678 1.00 20.10 H new ATOM 0 HB3 TYR A 38 10.527 -8.063 -4.161 1.00 20.10 H new ATOM 0 HD1 TYR A 38 8.828 -6.968 -7.351 1.00 23.32 H new ATOM 0 HD2 TYR A 38 12.369 -8.568 -5.488 1.00 64.32 H new ATOM 0 HE1 TYR A 38 9.826 -7.348 -9.592 1.00 40.32 H new ATOM 0 HE2 TYR A 38 13.398 -8.889 -7.725 1.00 24.10 H new ATOM 0 HH TYR A 38 13.140 -8.673 -9.946 1.00 21.33 H new ATOM 666 N LYS A 39 8.688 -10.186 -6.428 1.00 41.04 N ATOM 667 CA LYS A 39 8.788 -11.594 -6.815 1.00 54.24 C ATOM 668 C LYS A 39 10.087 -12.229 -6.327 1.00 20.43 C ATOM 669 O LYS A 39 10.071 -13.407 -5.968 1.00 3.24 O ATOM 670 CB LYS A 39 8.598 -11.793 -8.327 1.00 75.55 C ATOM 671 CG LYS A 39 9.792 -11.418 -9.221 1.00 2.13 C ATOM 672 CD LYS A 39 9.512 -11.752 -10.694 1.00 54.43 C ATOM 673 CE LYS A 39 10.427 -12.820 -11.305 1.00 2.22 C ATOM 674 NZ LYS A 39 10.203 -14.176 -10.763 1.00 43.05 N ATOM 0 H LYS A 39 8.689 -9.531 -7.210 1.00 41.04 H new ATOM 0 HA LYS A 39 7.968 -12.112 -6.318 1.00 54.24 H new ATOM 0 HB2 LYS A 39 8.353 -12.840 -8.506 1.00 75.55 H new ATOM 0 HB3 LYS A 39 7.736 -11.205 -8.643 1.00 75.55 H new ATOM 0 HG2 LYS A 39 10.004 -10.353 -9.121 1.00 2.13 H new ATOM 0 HG3 LYS A 39 10.681 -11.953 -8.887 1.00 2.13 H new ATOM 0 HD2 LYS A 39 8.479 -12.087 -10.784 1.00 54.43 H new ATOM 0 HD3 LYS A 39 9.604 -10.838 -11.281 1.00 54.43 H new ATOM 0 HE2 LYS A 39 10.276 -12.840 -12.384 1.00 2.22 H new ATOM 0 HE3 LYS A 39 11.466 -12.537 -11.134 1.00 2.22 H new ATOM 0 HZ1 LYS A 39 10.855 -14.845 -11.221 1.00 43.05 H new ATOM 0 HZ2 LYS A 39 10.374 -14.173 -9.737 1.00 43.05 H new ATOM 0 HZ3 LYS A 39 9.222 -14.467 -10.949 1.00 43.05 H new ATOM 688 N GLY A 40 11.176 -11.461 -6.279 1.00 3.12 N ATOM 689 CA GLY A 40 12.487 -11.922 -5.850 1.00 3.33 C ATOM 690 C GLY A 40 12.705 -11.806 -4.344 1.00 35.54 C ATOM 691 O GLY A 40 13.773 -12.185 -3.861 1.00 21.14 O ATOM 0 H GLY A 40 11.165 -10.476 -6.545 1.00 3.12 H new ATOM 0 HA2 GLY A 40 12.615 -12.962 -6.149 1.00 3.33 H new ATOM 0 HA3 GLY A 40 13.254 -11.345 -6.367 1.00 3.33 H new ATOM 695 N GLU A 41 11.738 -11.275 -3.590 1.00 54.15 N ATOM 696 CA GLU A 41 11.848 -11.124 -2.148 1.00 35.50 C ATOM 697 C GLU A 41 11.788 -12.521 -1.516 1.00 33.30 C ATOM 698 O GLU A 41 10.718 -13.132 -1.410 1.00 63.21 O ATOM 699 CB GLU A 41 10.736 -10.204 -1.660 1.00 71.53 C ATOM 700 CG GLU A 41 10.929 -9.836 -0.188 1.00 75.52 C ATOM 701 CD GLU A 41 10.232 -8.534 0.190 1.00 43.35 C ATOM 702 OE1 GLU A 41 9.107 -8.308 -0.292 1.00 72.52 O ATOM 703 OE2 GLU A 41 10.867 -7.767 0.946 1.00 2.21 O ATOM 0 H GLU A 41 10.854 -10.938 -3.971 1.00 54.15 H new ATOM 0 HA GLU A 41 12.793 -10.665 -1.858 1.00 35.50 H new ATOM 0 HB2 GLU A 41 10.719 -9.297 -2.265 1.00 71.53 H new ATOM 0 HB3 GLU A 41 9.771 -10.694 -1.792 1.00 71.53 H new ATOM 0 HG2 GLU A 41 10.546 -10.643 0.437 1.00 75.52 H new ATOM 0 HG3 GLU A 41 11.995 -9.747 0.023 1.00 75.52 H new ATOM 710 N LYS A 42 12.946 -13.041 -1.110 1.00 55.15 N ATOM 711 CA LYS A 42 13.117 -14.370 -0.517 1.00 15.14 C ATOM 712 C LYS A 42 13.809 -14.365 0.841 1.00 53.24 C ATOM 713 O LYS A 42 13.885 -15.401 1.493 1.00 74.41 O ATOM 714 CB LYS A 42 13.967 -15.189 -1.500 1.00 73.21 C ATOM 715 CG LYS A 42 13.231 -15.589 -2.784 1.00 21.51 C ATOM 716 CD LYS A 42 12.062 -16.557 -2.511 1.00 44.31 C ATOM 717 CE LYS A 42 11.446 -17.172 -3.775 1.00 20.50 C ATOM 718 NZ LYS A 42 11.047 -16.156 -4.769 1.00 13.01 N ATOM 0 H LYS A 42 13.825 -12.530 -1.187 1.00 55.15 H new ATOM 0 HA LYS A 42 12.126 -14.790 -0.346 1.00 15.14 H new ATOM 0 HB2 LYS A 42 14.852 -14.611 -1.767 1.00 73.21 H new ATOM 0 HB3 LYS A 42 14.315 -16.092 -0.998 1.00 73.21 H new ATOM 0 HG2 LYS A 42 12.851 -14.694 -3.276 1.00 21.51 H new ATOM 0 HG3 LYS A 42 13.934 -16.057 -3.473 1.00 21.51 H new ATOM 0 HD2 LYS A 42 12.414 -17.361 -1.864 1.00 44.31 H new ATOM 0 HD3 LYS A 42 11.284 -16.024 -1.964 1.00 44.31 H new ATOM 0 HE2 LYS A 42 12.164 -17.855 -4.228 1.00 20.50 H new ATOM 0 HE3 LYS A 42 10.574 -17.764 -3.498 1.00 20.50 H new ATOM 0 HZ1 LYS A 42 10.607 -16.624 -5.587 1.00 13.01 H new ATOM 0 HZ2 LYS A 42 10.366 -15.498 -4.339 1.00 13.01 H new ATOM 0 HZ3 LYS A 42 11.887 -15.629 -5.083 1.00 13.01 H new ATOM 732 N GLN A 43 14.331 -13.217 1.240 1.00 55.11 N ATOM 733 CA GLN A 43 15.041 -12.996 2.472 1.00 40.32 C ATOM 734 C GLN A 43 14.158 -12.262 3.469 1.00 1.20 C ATOM 735 O GLN A 43 14.340 -12.427 4.674 1.00 15.11 O ATOM 736 CB GLN A 43 16.298 -12.172 2.147 1.00 1.11 C ATOM 737 CG GLN A 43 16.006 -10.764 1.575 1.00 75.42 C ATOM 738 CD GLN A 43 15.520 -10.659 0.120 1.00 55.24 C ATOM 739 OE1 GLN A 43 14.824 -9.720 -0.246 1.00 55.01 O ATOM 740 NE2 GLN A 43 15.742 -11.654 -0.720 1.00 4.44 N ATOM 0 H GLN A 43 14.262 -12.371 0.674 1.00 55.11 H new ATOM 0 HA GLN A 43 15.323 -13.947 2.925 1.00 40.32 H new ATOM 0 HB2 GLN A 43 16.894 -12.067 3.054 1.00 1.11 H new ATOM 0 HB3 GLN A 43 16.905 -12.724 1.429 1.00 1.11 H new ATOM 0 HG2 GLN A 43 15.256 -10.295 2.212 1.00 75.42 H new ATOM 0 HG3 GLN A 43 16.917 -10.172 1.666 1.00 75.42 H new ATOM 0 HE21 GLN A 43 16.319 -12.445 -0.433 1.00 4.44 H new ATOM 0 HE22 GLN A 43 15.336 -11.632 -1.656 1.00 4.44 H new ATOM 749 N LEU A 44 13.267 -11.393 2.970 1.00 2.41 N ATOM 750 CA LEU A 44 12.372 -10.613 3.793 1.00 75.31 C ATOM 751 C LEU A 44 11.010 -11.320 3.808 1.00 55.04 C ATOM 752 O LEU A 44 10.727 -12.083 2.876 1.00 11.34 O ATOM 753 CB LEU A 44 12.332 -9.141 3.347 1.00 11.03 C ATOM 754 CG LEU A 44 13.456 -8.331 4.028 1.00 11.01 C ATOM 755 CD1 LEU A 44 13.576 -6.936 3.441 1.00 43.25 C ATOM 756 CD2 LEU A 44 13.231 -8.122 5.533 1.00 73.22 C ATOM 0 H LEU A 44 13.157 -11.220 1.971 1.00 2.41 H new ATOM 0 HA LEU A 44 12.728 -10.560 4.822 1.00 75.31 H new ATOM 0 HB2 LEU A 44 12.440 -9.081 2.264 1.00 11.03 H new ATOM 0 HB3 LEU A 44 11.363 -8.707 3.595 1.00 11.03 H new ATOM 0 HG LEU A 44 14.352 -8.928 3.857 1.00 11.01 H new ATOM 0 HD11 LEU A 44 14.377 -6.397 3.946 1.00 43.25 H new ATOM 0 HD12 LEU A 44 13.801 -7.007 2.377 1.00 43.25 H new ATOM 0 HD13 LEU A 44 12.636 -6.401 3.578 1.00 43.25 H new ATOM 0 HD21 LEU A 44 14.058 -7.546 5.948 1.00 73.22 H new ATOM 0 HD22 LEU A 44 12.297 -7.582 5.690 1.00 73.22 H new ATOM 0 HD23 LEU A 44 13.178 -9.090 6.031 1.00 73.22 H new ATOM 768 N PRO A 45 10.175 -11.129 4.836 1.00 60.12 N ATOM 769 CA PRO A 45 8.871 -11.776 4.936 1.00 0.43 C ATOM 770 C PRO A 45 7.788 -11.081 4.108 1.00 13.12 C ATOM 771 O PRO A 45 7.926 -9.933 3.678 1.00 73.12 O ATOM 772 CB PRO A 45 8.520 -11.685 6.422 1.00 61.14 C ATOM 773 CG PRO A 45 9.146 -10.353 6.816 1.00 23.40 C ATOM 774 CD PRO A 45 10.415 -10.268 5.976 1.00 71.31 C ATOM 0 HA PRO A 45 8.917 -12.795 4.551 1.00 0.43 H new ATOM 0 HB2 PRO A 45 7.443 -11.694 6.588 1.00 61.14 H new ATOM 0 HB3 PRO A 45 8.937 -12.516 6.991 1.00 61.14 H new ATOM 0 HG2 PRO A 45 8.474 -9.521 6.606 1.00 23.40 H new ATOM 0 HG3 PRO A 45 9.372 -10.320 7.882 1.00 23.40 H new ATOM 0 HD2 PRO A 45 10.611 -9.243 5.661 1.00 71.31 H new ATOM 0 HD3 PRO A 45 11.285 -10.599 6.543 1.00 71.31 H new ATOM 782 N VAL A 46 6.679 -11.788 3.912 1.00 75.54 N ATOM 783 CA VAL A 46 5.527 -11.302 3.179 1.00 20.50 C ATOM 784 C VAL A 46 4.721 -10.419 4.145 1.00 31.34 C ATOM 785 O VAL A 46 4.727 -10.627 5.367 1.00 72.31 O ATOM 786 CB VAL A 46 4.728 -12.490 2.591 1.00 20.14 C ATOM 787 CG1 VAL A 46 3.715 -12.003 1.540 1.00 15.43 C ATOM 788 CG2 VAL A 46 5.668 -13.523 1.930 1.00 75.12 C ATOM 0 H VAL A 46 6.559 -12.736 4.269 1.00 75.54 H new ATOM 0 HA VAL A 46 5.808 -10.698 2.316 1.00 20.50 H new ATOM 0 HB VAL A 46 4.199 -12.961 3.420 1.00 20.14 H new ATOM 0 HG11 VAL A 46 3.166 -12.856 1.141 1.00 15.43 H new ATOM 0 HG12 VAL A 46 3.017 -11.306 2.003 1.00 15.43 H new ATOM 0 HG13 VAL A 46 4.244 -11.501 0.730 1.00 15.43 H new ATOM 0 HG21 VAL A 46 5.078 -14.346 1.526 1.00 75.12 H new ATOM 0 HG22 VAL A 46 6.224 -13.045 1.123 1.00 75.12 H new ATOM 0 HG23 VAL A 46 6.366 -13.908 2.674 1.00 75.12 H new ATOM 798 N LEU A 47 4.038 -9.424 3.584 1.00 61.13 N ATOM 799 CA LEU A 47 3.206 -8.452 4.275 1.00 11.13 C ATOM 800 C LEU A 47 1.876 -9.122 4.637 1.00 1.13 C ATOM 801 O LEU A 47 1.319 -9.876 3.841 1.00 72.13 O ATOM 802 CB LEU A 47 2.986 -7.252 3.334 1.00 35.31 C ATOM 803 CG LEU A 47 2.965 -5.842 3.950 1.00 54.05 C ATOM 804 CD1 LEU A 47 1.864 -5.610 4.985 1.00 73.13 C ATOM 805 CD2 LEU A 47 4.308 -5.464 4.573 1.00 70.15 C ATOM 0 H LEU A 47 4.054 -9.269 2.576 1.00 61.13 H new ATOM 0 HA LEU A 47 3.679 -8.100 5.192 1.00 11.13 H new ATOM 0 HB2 LEU A 47 3.770 -7.274 2.577 1.00 35.31 H new ATOM 0 HB3 LEU A 47 2.039 -7.404 2.816 1.00 35.31 H new ATOM 0 HG LEU A 47 2.750 -5.198 3.097 1.00 54.05 H new ATOM 0 HD11 LEU A 47 1.929 -4.590 5.363 1.00 73.13 H new ATOM 0 HD12 LEU A 47 0.890 -5.764 4.521 1.00 73.13 H new ATOM 0 HD13 LEU A 47 1.987 -6.311 5.811 1.00 73.13 H new ATOM 0 HD21 LEU A 47 4.244 -4.461 4.995 1.00 70.15 H new ATOM 0 HD22 LEU A 47 4.556 -6.174 5.362 1.00 70.15 H new ATOM 0 HD23 LEU A 47 5.084 -5.487 3.807 1.00 70.15 H new ATOM 817 N ASP A 48 1.345 -8.830 5.820 1.00 75.14 N ATOM 818 CA ASP A 48 0.074 -9.366 6.335 1.00 44.05 C ATOM 819 C ASP A 48 -1.167 -8.755 5.662 1.00 64.52 C ATOM 820 O ASP A 48 -2.285 -9.246 5.830 1.00 24.33 O ATOM 821 CB ASP A 48 0.004 -9.316 7.869 1.00 13.33 C ATOM 822 CG ASP A 48 0.685 -8.136 8.564 1.00 72.55 C ATOM 823 OD1 ASP A 48 0.118 -7.028 8.630 1.00 23.24 O ATOM 824 OD2 ASP A 48 1.826 -8.271 9.065 1.00 32.51 O ATOM 0 H ASP A 48 1.798 -8.192 6.475 1.00 75.14 H new ATOM 0 HA ASP A 48 0.060 -10.419 6.055 1.00 44.05 H new ATOM 0 HB2 ASP A 48 -1.047 -9.318 8.159 1.00 13.33 H new ATOM 0 HB3 ASP A 48 0.443 -10.235 8.257 1.00 13.33 H new ATOM 829 N LYS A 49 -0.984 -7.678 4.900 1.00 24.41 N ATOM 830 CA LYS A 49 -2.000 -6.938 4.132 1.00 20.44 C ATOM 831 C LYS A 49 -1.402 -6.549 2.781 1.00 20.51 C ATOM 832 O LYS A 49 -0.227 -6.816 2.533 1.00 3.32 O ATOM 833 CB LYS A 49 -2.488 -5.695 4.906 1.00 22.34 C ATOM 834 CG LYS A 49 -3.352 -6.035 6.130 1.00 52.33 C ATOM 835 CD LYS A 49 -4.752 -6.570 5.775 1.00 42.32 C ATOM 836 CE LYS A 49 -5.747 -5.431 5.525 1.00 31.24 C ATOM 837 NZ LYS A 49 -7.125 -5.923 5.337 1.00 50.01 N ATOM 0 H LYS A 49 -0.058 -7.265 4.791 1.00 24.41 H new ATOM 0 HA LYS A 49 -2.872 -7.573 3.974 1.00 20.44 H new ATOM 0 HB2 LYS A 49 -1.623 -5.117 5.231 1.00 22.34 H new ATOM 0 HB3 LYS A 49 -3.062 -5.059 4.232 1.00 22.34 H new ATOM 0 HG2 LYS A 49 -2.832 -6.778 6.735 1.00 52.33 H new ATOM 0 HG3 LYS A 49 -3.460 -5.142 6.746 1.00 52.33 H new ATOM 0 HD2 LYS A 49 -4.687 -7.198 4.887 1.00 42.32 H new ATOM 0 HD3 LYS A 49 -5.117 -7.201 6.586 1.00 42.32 H new ATOM 0 HE2 LYS A 49 -5.722 -4.739 6.367 1.00 31.24 H new ATOM 0 HE3 LYS A 49 -5.440 -4.870 4.642 1.00 31.24 H new ATOM 0 HZ1 LYS A 49 -7.475 -5.628 4.403 1.00 50.01 H new ATOM 0 HZ2 LYS A 49 -7.134 -6.961 5.398 1.00 50.01 H new ATOM 0 HZ3 LYS A 49 -7.739 -5.528 6.078 1.00 50.01 H new ATOM 851 N THR A 50 -2.171 -5.931 1.887 1.00 0.42 N ATOM 852 CA THR A 50 -1.672 -5.505 0.577 1.00 40.02 C ATOM 853 C THR A 50 -2.125 -4.075 0.305 1.00 15.41 C ATOM 854 O THR A 50 -1.334 -3.222 -0.077 1.00 43.44 O ATOM 855 CB THR A 50 -2.139 -6.473 -0.523 1.00 31.42 C ATOM 856 OG1 THR A 50 -1.805 -7.807 -0.209 1.00 62.24 O ATOM 857 CG2 THR A 50 -1.534 -6.174 -1.893 1.00 53.12 C ATOM 0 H THR A 50 -3.154 -5.711 2.047 1.00 0.42 H new ATOM 0 HA THR A 50 -0.582 -5.526 0.576 1.00 40.02 H new ATOM 0 HB THR A 50 -3.219 -6.334 -0.570 1.00 31.42 H new ATOM 0 HG1 THR A 50 -2.116 -8.399 -0.925 1.00 62.24 H new ATOM 0 HG21 THR A 50 -1.907 -6.895 -2.621 1.00 53.12 H new ATOM 0 HG22 THR A 50 -1.815 -5.168 -2.203 1.00 53.12 H new ATOM 0 HG23 THR A 50 -0.448 -6.246 -1.835 1.00 53.12 H new ATOM 865 N LYS A 51 -3.412 -3.793 0.460 1.00 74.14 N ATOM 866 CA LYS A 51 -3.953 -2.468 0.234 1.00 71.25 C ATOM 867 C LYS A 51 -3.759 -1.611 1.485 1.00 23.44 C ATOM 868 O LYS A 51 -4.077 -2.064 2.584 1.00 63.42 O ATOM 869 CB LYS A 51 -5.426 -2.652 -0.081 1.00 13.30 C ATOM 870 CG LYS A 51 -5.702 -3.155 -1.504 1.00 41.25 C ATOM 871 CD LYS A 51 -7.219 -3.158 -1.625 1.00 62.30 C ATOM 872 CE LYS A 51 -7.798 -3.425 -3.001 1.00 75.40 C ATOM 873 NZ LYS A 51 -9.279 -3.456 -2.966 1.00 75.13 N ATOM 0 H LYS A 51 -4.108 -4.481 0.747 1.00 74.14 H new ATOM 0 HA LYS A 51 -3.449 -1.959 -0.588 1.00 71.25 H new ATOM 0 HB2 LYS A 51 -5.854 -3.357 0.632 1.00 13.30 H new ATOM 0 HB3 LYS A 51 -5.939 -1.701 0.063 1.00 13.30 H new ATOM 0 HG2 LYS A 51 -5.247 -2.503 -2.250 1.00 41.25 H new ATOM 0 HG3 LYS A 51 -5.290 -4.152 -1.658 1.00 41.25 H new ATOM 0 HD2 LYS A 51 -7.612 -3.909 -0.940 1.00 62.30 H new ATOM 0 HD3 LYS A 51 -7.588 -2.191 -1.284 1.00 62.30 H new ATOM 0 HE2 LYS A 51 -7.465 -2.653 -3.694 1.00 75.40 H new ATOM 0 HE3 LYS A 51 -7.421 -4.376 -3.378 1.00 75.40 H new ATOM 0 HZ1 LYS A 51 -9.616 -4.368 -3.334 1.00 75.13 H new ATOM 0 HZ2 LYS A 51 -9.606 -3.337 -1.986 1.00 75.13 H new ATOM 0 HZ3 LYS A 51 -9.656 -2.685 -3.553 1.00 75.13 H new ATOM 887 N PHE A 52 -3.284 -0.374 1.338 1.00 70.35 N ATOM 888 CA PHE A 52 -3.036 0.561 2.430 1.00 30.31 C ATOM 889 C PHE A 52 -3.654 1.928 2.141 1.00 34.34 C ATOM 890 O PHE A 52 -3.812 2.324 0.986 1.00 53.02 O ATOM 891 CB PHE A 52 -1.519 0.744 2.625 1.00 50.03 C ATOM 892 CG PHE A 52 -0.836 -0.266 3.518 1.00 24.33 C ATOM 893 CD1 PHE A 52 -0.643 -1.587 3.077 1.00 61.32 C ATOM 894 CD2 PHE A 52 -0.349 0.129 4.779 1.00 32.10 C ATOM 895 CE1 PHE A 52 0.001 -2.520 3.903 1.00 64.15 C ATOM 896 CE2 PHE A 52 0.304 -0.801 5.604 1.00 72.25 C ATOM 897 CZ PHE A 52 0.459 -2.128 5.170 1.00 32.11 C ATOM 0 H PHE A 52 -3.054 0.015 0.424 1.00 70.35 H new ATOM 0 HA PHE A 52 -3.491 0.148 3.330 1.00 30.31 H new ATOM 0 HB2 PHE A 52 -1.041 0.714 1.646 1.00 50.03 H new ATOM 0 HB3 PHE A 52 -1.343 1.739 3.035 1.00 50.03 H new ATOM 0 HD1 PHE A 52 -0.992 -1.884 2.099 1.00 61.32 H new ATOM 0 HD2 PHE A 52 -0.478 1.148 5.112 1.00 32.10 H new ATOM 0 HE1 PHE A 52 0.144 -3.536 3.565 1.00 64.15 H new ATOM 0 HE2 PHE A 52 0.685 -0.497 6.568 1.00 72.25 H new ATOM 0 HZ PHE A 52 0.934 -2.851 5.816 1.00 32.11 H new ATOM 907 N LEU A 53 -3.955 2.673 3.211 1.00 70.24 N ATOM 908 CA LEU A 53 -4.519 4.022 3.168 1.00 14.01 C ATOM 909 C LEU A 53 -3.472 4.902 3.836 1.00 31.11 C ATOM 910 O LEU A 53 -3.363 4.930 5.070 1.00 24.44 O ATOM 911 CB LEU A 53 -5.903 4.106 3.851 1.00 2.13 C ATOM 912 CG LEU A 53 -7.046 4.356 2.850 1.00 4.23 C ATOM 913 CD1 LEU A 53 -7.248 3.186 1.910 1.00 3.24 C ATOM 914 CD2 LEU A 53 -8.362 4.613 3.577 1.00 4.22 C ATOM 0 H LEU A 53 -3.806 2.339 4.163 1.00 70.24 H new ATOM 0 HA LEU A 53 -4.719 4.347 2.147 1.00 14.01 H new ATOM 0 HB2 LEU A 53 -6.094 3.178 4.390 1.00 2.13 H new ATOM 0 HB3 LEU A 53 -5.891 4.907 4.590 1.00 2.13 H new ATOM 0 HG LEU A 53 -6.756 5.233 2.271 1.00 4.23 H new ATOM 0 HD11 LEU A 53 -8.064 3.408 1.223 1.00 3.24 H new ATOM 0 HD12 LEU A 53 -6.333 3.013 1.343 1.00 3.24 H new ATOM 0 HD13 LEU A 53 -7.492 2.294 2.487 1.00 3.24 H new ATOM 0 HD21 LEU A 53 -9.153 4.787 2.847 1.00 4.22 H new ATOM 0 HD22 LEU A 53 -8.616 3.746 4.188 1.00 4.22 H new ATOM 0 HD23 LEU A 53 -8.259 5.490 4.216 1.00 4.22 H new ATOM 926 N VAL A 54 -2.684 5.613 3.029 1.00 54.25 N ATOM 927 CA VAL A 54 -1.618 6.477 3.543 1.00 65.24 C ATOM 928 C VAL A 54 -2.046 7.941 3.433 1.00 2.44 C ATOM 929 O VAL A 54 -2.540 8.319 2.376 1.00 4.42 O ATOM 930 CB VAL A 54 -0.297 6.180 2.797 1.00 10.11 C ATOM 931 CG1 VAL A 54 0.851 7.072 3.278 1.00 74.24 C ATOM 932 CG2 VAL A 54 0.099 4.707 2.979 1.00 2.42 C ATOM 0 H VAL A 54 -2.764 5.608 2.012 1.00 54.25 H new ATOM 0 HA VAL A 54 -1.440 6.272 4.599 1.00 65.24 H new ATOM 0 HB VAL A 54 -0.473 6.392 1.743 1.00 10.11 H new ATOM 0 HG11 VAL A 54 1.758 6.827 2.726 1.00 74.24 H new ATOM 0 HG12 VAL A 54 0.594 8.118 3.109 1.00 74.24 H new ATOM 0 HG13 VAL A 54 1.019 6.907 4.342 1.00 74.24 H new ATOM 0 HG21 VAL A 54 1.031 4.513 2.448 1.00 2.42 H new ATOM 0 HG22 VAL A 54 0.234 4.495 4.040 1.00 2.42 H new ATOM 0 HG23 VAL A 54 -0.687 4.067 2.578 1.00 2.42 H new ATOM 942 N PRO A 55 -1.943 8.755 4.500 1.00 61.54 N ATOM 943 CA PRO A 55 -2.314 10.164 4.444 1.00 62.53 C ATOM 944 C PRO A 55 -1.362 10.887 3.487 1.00 24.44 C ATOM 945 O PRO A 55 -0.145 10.729 3.587 1.00 23.33 O ATOM 946 CB PRO A 55 -2.226 10.675 5.881 1.00 72.51 C ATOM 947 CG PRO A 55 -1.222 9.735 6.533 1.00 34.42 C ATOM 948 CD PRO A 55 -1.396 8.414 5.802 1.00 5.23 C ATOM 0 HA PRO A 55 -3.320 10.336 4.062 1.00 62.53 H new ATOM 0 HB2 PRO A 55 -1.889 11.711 5.918 1.00 72.51 H new ATOM 0 HB3 PRO A 55 -3.194 10.637 6.380 1.00 72.51 H new ATOM 0 HG2 PRO A 55 -0.204 10.112 6.432 1.00 34.42 H new ATOM 0 HG3 PRO A 55 -1.417 9.626 7.600 1.00 34.42 H new ATOM 0 HD2 PRO A 55 -0.444 7.893 5.702 1.00 5.23 H new ATOM 0 HD3 PRO A 55 -2.067 7.750 6.347 1.00 5.23 H new ATOM 956 N ASP A 56 -1.913 11.699 2.586 1.00 73.35 N ATOM 957 CA ASP A 56 -1.149 12.432 1.573 1.00 52.21 C ATOM 958 C ASP A 56 -0.146 13.446 2.108 1.00 63.22 C ATOM 959 O ASP A 56 0.796 13.787 1.388 1.00 12.33 O ATOM 960 CB ASP A 56 -2.084 13.060 0.519 1.00 50.04 C ATOM 961 CG ASP A 56 -2.868 14.307 0.930 1.00 43.32 C ATOM 962 OD1 ASP A 56 -3.052 14.549 2.140 1.00 63.31 O ATOM 963 OD2 ASP A 56 -3.369 14.981 -0.007 1.00 41.15 O ATOM 0 H ASP A 56 -2.917 11.870 2.537 1.00 73.35 H new ATOM 0 HA ASP A 56 -0.528 11.673 1.097 1.00 52.21 H new ATOM 0 HB2 ASP A 56 -1.485 13.312 -0.356 1.00 50.04 H new ATOM 0 HB3 ASP A 56 -2.800 12.299 0.207 1.00 50.04 H new ATOM 968 N HIS A 57 -0.268 13.847 3.366 1.00 24.14 N ATOM 969 CA HIS A 57 0.622 14.807 3.998 1.00 14.03 C ATOM 970 C HIS A 57 1.826 14.166 4.713 1.00 54.12 C ATOM 971 O HIS A 57 2.648 14.909 5.255 1.00 54.11 O ATOM 972 CB HIS A 57 -0.222 15.682 4.940 1.00 31.13 C ATOM 973 CG HIS A 57 -1.040 14.929 5.962 1.00 54.01 C ATOM 974 ND1 HIS A 57 -0.621 14.545 7.214 1.00 34.31 N ATOM 975 CD2 HIS A 57 -2.353 14.562 5.832 1.00 72.44 C ATOM 976 CE1 HIS A 57 -1.657 13.949 7.827 1.00 70.11 C ATOM 977 NE2 HIS A 57 -2.746 13.945 7.031 1.00 71.13 N ATOM 0 H HIS A 57 -1.003 13.507 3.986 1.00 24.14 H new ATOM 0 HA HIS A 57 1.080 15.420 3.222 1.00 14.03 H new ATOM 0 HB2 HIS A 57 0.443 16.368 5.465 1.00 31.13 H new ATOM 0 HB3 HIS A 57 -0.896 16.291 4.337 1.00 31.13 H new ATOM 0 HD2 HIS A 57 -2.975 14.719 4.963 1.00 72.44 H new ATOM 0 HE1 HIS A 57 -1.623 13.530 8.822 1.00 70.11 H new ATOM 0 HE2 HIS A 57 -3.668 13.570 7.254 1.00 71.13 H new ATOM 985 N VAL A 58 1.965 12.834 4.743 1.00 51.42 N ATOM 986 CA VAL A 58 3.076 12.155 5.423 1.00 62.31 C ATOM 987 C VAL A 58 4.182 11.768 4.424 1.00 72.33 C ATOM 988 O VAL A 58 4.003 11.753 3.203 1.00 64.51 O ATOM 989 CB VAL A 58 2.495 11.012 6.292 1.00 34.43 C ATOM 990 CG1 VAL A 58 3.533 10.144 7.017 1.00 33.23 C ATOM 991 CG2 VAL A 58 1.611 11.632 7.396 1.00 33.42 C ATOM 0 H VAL A 58 1.308 12.195 4.295 1.00 51.42 H new ATOM 0 HA VAL A 58 3.595 12.818 6.115 1.00 62.31 H new ATOM 0 HB VAL A 58 1.960 10.370 5.592 1.00 34.43 H new ATOM 0 HG11 VAL A 58 3.023 9.375 7.597 1.00 33.23 H new ATOM 0 HG12 VAL A 58 4.188 9.672 6.285 1.00 33.23 H new ATOM 0 HG13 VAL A 58 4.126 10.768 7.685 1.00 33.23 H new ATOM 0 HG21 VAL A 58 1.194 10.839 8.017 1.00 33.42 H new ATOM 0 HG22 VAL A 58 2.214 12.298 8.014 1.00 33.42 H new ATOM 0 HG23 VAL A 58 0.800 12.198 6.938 1.00 33.42 H new ATOM 1001 N ASN A 59 5.371 11.499 4.963 1.00 14.44 N ATOM 1002 CA ASN A 59 6.585 11.119 4.251 1.00 44.04 C ATOM 1003 C ASN A 59 6.887 9.624 4.368 1.00 13.34 C ATOM 1004 O ASN A 59 6.474 8.932 5.319 1.00 24.24 O ATOM 1005 CB ASN A 59 7.784 11.928 4.778 1.00 44.33 C ATOM 1006 CG ASN A 59 7.930 12.019 6.282 1.00 42.25 C ATOM 1007 OD1 ASN A 59 7.451 11.050 7.034 1.00 62.24 O flip ATOM 1008 ND2 ASN A 59 8.479 12.989 6.790 1.00 12.20 N flip ATOM 0 H ASN A 59 5.518 11.544 5.971 1.00 14.44 H new ATOM 0 HA ASN A 59 6.418 11.341 3.197 1.00 44.04 H new ATOM 0 HB2 ASN A 59 8.696 11.489 4.373 1.00 44.33 H new ATOM 0 HB3 ASN A 59 7.713 12.940 4.380 1.00 44.33 H new ATOM 0 HD21 ASN A 59 8.847 13.734 6.199 1.00 12.20 H new ATOM 0 HD22 ASN A 59 8.568 13.051 7.804 1.00 12.20 H new ATOM 1015 N MET A 60 7.732 9.148 3.449 1.00 64.44 N ATOM 1016 CA MET A 60 8.097 7.749 3.429 1.00 73.31 C ATOM 1017 C MET A 60 8.809 7.325 4.695 1.00 30.10 C ATOM 1018 O MET A 60 8.728 6.142 4.987 1.00 41.25 O ATOM 1019 CB MET A 60 8.914 7.323 2.208 1.00 65.23 C ATOM 1020 CG MET A 60 8.115 7.396 0.912 1.00 32.14 C ATOM 1021 SD MET A 60 6.979 6.007 0.681 1.00 44.33 S ATOM 1022 CE MET A 60 8.071 4.892 -0.242 1.00 70.14 C ATOM 0 H MET A 60 8.167 9.713 2.720 1.00 64.44 H new ATOM 0 HA MET A 60 7.141 7.230 3.363 1.00 73.31 H new ATOM 0 HB2 MET A 60 9.794 7.961 2.124 1.00 65.23 H new ATOM 0 HB3 MET A 60 9.272 6.304 2.353 1.00 65.23 H new ATOM 0 HG2 MET A 60 7.546 8.326 0.898 1.00 32.14 H new ATOM 0 HG3 MET A 60 8.807 7.433 0.070 1.00 32.14 H new ATOM 0 HE1 MET A 60 7.483 4.082 -0.673 1.00 70.14 H new ATOM 0 HE2 MET A 60 8.566 5.446 -1.040 1.00 70.14 H new ATOM 0 HE3 MET A 60 8.821 4.477 0.432 1.00 70.14 H new ATOM 1032 N SER A 61 9.447 8.218 5.469 1.00 41.35 N ATOM 1033 CA SER A 61 10.096 7.833 6.720 1.00 12.21 C ATOM 1034 C SER A 61 9.083 7.024 7.539 1.00 21.22 C ATOM 1035 O SER A 61 9.386 5.911 7.974 1.00 12.23 O ATOM 1036 CB SER A 61 10.546 9.079 7.497 1.00 23.33 C ATOM 1037 OG SER A 61 11.704 9.655 6.929 1.00 65.14 O ATOM 0 H SER A 61 9.524 9.210 5.245 1.00 41.35 H new ATOM 0 HA SER A 61 10.984 7.234 6.519 1.00 12.21 H new ATOM 0 HB2 SER A 61 9.741 9.813 7.506 1.00 23.33 H new ATOM 0 HB3 SER A 61 10.744 8.810 8.535 1.00 23.33 H new ATOM 0 HG SER A 61 11.963 10.446 7.446 1.00 65.14 H new ATOM 1043 N GLU A 62 7.898 7.600 7.771 1.00 71.22 N ATOM 1044 CA GLU A 62 6.821 6.967 8.497 1.00 4.34 C ATOM 1045 C GLU A 62 6.167 5.854 7.690 1.00 5.42 C ATOM 1046 O GLU A 62 5.848 4.840 8.306 1.00 2.20 O ATOM 1047 CB GLU A 62 5.806 7.959 9.032 1.00 53.41 C ATOM 1048 CG GLU A 62 6.450 9.121 9.777 1.00 52.22 C ATOM 1049 CD GLU A 62 7.198 8.659 11.030 1.00 52.31 C ATOM 1050 OE1 GLU A 62 8.382 8.270 10.933 1.00 12.00 O ATOM 1051 OE2 GLU A 62 6.598 8.562 12.127 1.00 31.22 O ATOM 0 H GLU A 62 7.669 8.540 7.447 1.00 71.22 H new ATOM 0 HA GLU A 62 7.276 6.502 9.372 1.00 4.34 H new ATOM 0 HB2 GLU A 62 5.214 8.348 8.204 1.00 53.41 H new ATOM 0 HB3 GLU A 62 5.117 7.442 9.700 1.00 53.41 H new ATOM 0 HG2 GLU A 62 7.142 9.638 9.112 1.00 52.22 H new ATOM 0 HG3 GLU A 62 5.681 9.841 10.059 1.00 52.22 H new ATOM 1058 N LEU A 63 5.940 5.989 6.366 1.00 1.40 N ATOM 1059 CA LEU A 63 5.332 4.850 5.631 1.00 71.11 C ATOM 1060 C LEU A 63 6.203 3.615 5.874 1.00 23.11 C ATOM 1061 O LEU A 63 5.697 2.562 6.269 1.00 42.15 O ATOM 1062 CB LEU A 63 5.115 5.140 4.129 1.00 33.43 C ATOM 1063 CG LEU A 63 4.841 3.977 3.136 1.00 23.12 C ATOM 1064 CD1 LEU A 63 6.033 3.060 2.825 1.00 65.22 C ATOM 1065 CD2 LEU A 63 3.631 3.132 3.526 1.00 21.52 C ATOM 0 H LEU A 63 6.151 6.817 5.809 1.00 1.40 H new ATOM 0 HA LEU A 63 4.327 4.673 6.013 1.00 71.11 H new ATOM 0 HB2 LEU A 63 4.277 5.833 4.052 1.00 33.43 H new ATOM 0 HB3 LEU A 63 5.999 5.668 3.771 1.00 33.43 H new ATOM 0 HG LEU A 63 4.628 4.514 2.212 1.00 23.12 H new ATOM 0 HD11 LEU A 63 5.723 2.287 2.122 1.00 65.22 H new ATOM 0 HD12 LEU A 63 6.839 3.648 2.386 1.00 65.22 H new ATOM 0 HD13 LEU A 63 6.383 2.594 3.746 1.00 65.22 H new ATOM 0 HD21 LEU A 63 3.492 2.337 2.794 1.00 21.52 H new ATOM 0 HD22 LEU A 63 3.795 2.694 4.511 1.00 21.52 H new ATOM 0 HD23 LEU A 63 2.741 3.761 3.552 1.00 21.52 H new ATOM 1077 N ILE A 64 7.514 3.771 5.682 1.00 4.12 N ATOM 1078 CA ILE A 64 8.522 2.745 5.874 1.00 30.32 C ATOM 1079 C ILE A 64 8.428 2.274 7.321 1.00 45.14 C ATOM 1080 O ILE A 64 8.374 1.076 7.558 1.00 63.44 O ATOM 1081 CB ILE A 64 9.927 3.291 5.498 1.00 22.54 C ATOM 1082 CG1 ILE A 64 10.061 3.325 3.957 1.00 22.50 C ATOM 1083 CG2 ILE A 64 11.041 2.461 6.151 1.00 31.43 C ATOM 1084 CD1 ILE A 64 11.279 4.106 3.450 1.00 41.33 C ATOM 0 H ILE A 64 7.912 4.658 5.375 1.00 4.12 H new ATOM 0 HA ILE A 64 8.353 1.890 5.219 1.00 30.32 H new ATOM 0 HB ILE A 64 10.034 4.306 5.881 1.00 22.54 H new ATOM 0 HG12 ILE A 64 10.119 2.302 3.586 1.00 22.50 H new ATOM 0 HG13 ILE A 64 9.158 3.767 3.535 1.00 22.50 H new ATOM 0 HG21 ILE A 64 12.012 2.869 5.868 1.00 31.43 H new ATOM 0 HG22 ILE A 64 10.934 2.497 7.235 1.00 31.43 H new ATOM 0 HG23 ILE A 64 10.970 1.427 5.814 1.00 31.43 H new ATOM 0 HD11 ILE A 64 11.299 4.081 2.360 1.00 41.33 H new ATOM 0 HD12 ILE A 64 11.215 5.140 3.788 1.00 41.33 H new ATOM 0 HD13 ILE A 64 12.190 3.653 3.840 1.00 41.33 H new ATOM 1096 N LYS A 65 8.380 3.188 8.290 1.00 50.12 N ATOM 1097 CA LYS A 65 8.296 2.853 9.702 1.00 25.33 C ATOM 1098 C LYS A 65 7.073 1.999 10.031 1.00 74.23 C ATOM 1099 O LYS A 65 7.259 0.965 10.663 1.00 4.42 O ATOM 1100 CB LYS A 65 8.247 4.154 10.493 1.00 2.33 C ATOM 1101 CG LYS A 65 8.222 3.966 12.004 1.00 43.03 C ATOM 1102 CD LYS A 65 7.656 5.258 12.623 1.00 31.14 C ATOM 1103 CE LYS A 65 6.176 5.152 12.992 1.00 45.23 C ATOM 1104 NZ LYS A 65 5.697 6.417 13.581 1.00 22.40 N ATOM 0 H LYS A 65 8.399 4.192 8.109 1.00 50.12 H new ATOM 0 HA LYS A 65 9.171 2.260 9.969 1.00 25.33 H new ATOM 0 HB2 LYS A 65 9.113 4.760 10.228 1.00 2.33 H new ATOM 0 HB3 LYS A 65 7.362 4.715 10.193 1.00 2.33 H new ATOM 0 HG2 LYS A 65 7.604 3.109 12.273 1.00 43.03 H new ATOM 0 HG3 LYS A 65 9.225 3.767 12.382 1.00 43.03 H new ATOM 0 HD2 LYS A 65 8.229 5.507 13.516 1.00 31.14 H new ATOM 0 HD3 LYS A 65 7.790 6.079 11.919 1.00 31.14 H new ATOM 0 HE2 LYS A 65 5.590 4.913 12.104 1.00 45.23 H new ATOM 0 HE3 LYS A 65 6.029 4.336 13.700 1.00 45.23 H new ATOM 0 HZ1 LYS A 65 4.657 6.424 13.591 1.00 22.40 H new ATOM 0 HZ2 LYS A 65 6.053 6.503 14.554 1.00 22.40 H new ATOM 0 HZ3 LYS A 65 6.043 7.217 13.014 1.00 22.40 H new ATOM 1118 N ILE A 66 5.845 2.379 9.644 1.00 1.21 N ATOM 1119 CA ILE A 66 4.666 1.565 9.964 1.00 5.33 C ATOM 1120 C ILE A 66 4.879 0.192 9.337 1.00 1.43 C ATOM 1121 O ILE A 66 4.604 -0.811 9.988 1.00 64.32 O ATOM 1122 CB ILE A 66 3.315 2.229 9.559 1.00 21.44 C ATOM 1123 CG1 ILE A 66 2.868 3.294 10.588 1.00 51.41 C ATOM 1124 CG2 ILE A 66 2.175 1.188 9.494 1.00 10.03 C ATOM 1125 CD1 ILE A 66 3.537 4.654 10.408 1.00 24.34 C ATOM 0 H ILE A 66 5.646 3.230 9.118 1.00 1.21 H new ATOM 0 HA ILE A 66 4.573 1.468 11.046 1.00 5.33 H new ATOM 0 HB ILE A 66 3.492 2.683 8.584 1.00 21.44 H new ATOM 0 HG12 ILE A 66 1.788 3.420 10.518 1.00 51.41 H new ATOM 0 HG13 ILE A 66 3.081 2.926 11.592 1.00 51.41 H new ATOM 0 HG21 ILE A 66 1.246 1.683 9.209 1.00 10.03 H new ATOM 0 HG22 ILE A 66 2.421 0.425 8.756 1.00 10.03 H new ATOM 0 HG23 ILE A 66 2.052 0.721 10.471 1.00 10.03 H new ATOM 0 HD11 ILE A 66 3.170 5.344 11.168 1.00 24.34 H new ATOM 0 HD12 ILE A 66 4.617 4.544 10.509 1.00 24.34 H new ATOM 0 HD13 ILE A 66 3.303 5.047 9.418 1.00 24.34 H new ATOM 1137 N ILE A 67 5.392 0.139 8.107 1.00 30.14 N ATOM 1138 CA ILE A 67 5.649 -1.117 7.430 1.00 10.12 C ATOM 1139 C ILE A 67 6.650 -1.908 8.279 1.00 24.14 C ATOM 1140 O ILE A 67 6.351 -3.047 8.618 1.00 10.21 O ATOM 1141 CB ILE A 67 6.054 -0.834 5.959 1.00 23.32 C ATOM 1142 CG1 ILE A 67 4.848 -1.010 5.009 1.00 42.25 C ATOM 1143 CG2 ILE A 67 7.205 -1.706 5.447 1.00 50.11 C ATOM 1144 CD1 ILE A 67 3.596 -0.222 5.411 1.00 12.22 C ATOM 0 H ILE A 67 5.637 0.965 7.561 1.00 30.14 H new ATOM 0 HA ILE A 67 4.768 -1.753 7.343 1.00 10.12 H new ATOM 0 HB ILE A 67 6.401 0.199 5.960 1.00 23.32 H new ATOM 0 HG12 ILE A 67 5.146 -0.706 4.006 1.00 42.25 H new ATOM 0 HG13 ILE A 67 4.594 -2.069 4.959 1.00 42.25 H new ATOM 0 HG21 ILE A 67 7.426 -1.446 4.412 1.00 50.11 H new ATOM 0 HG22 ILE A 67 8.090 -1.537 6.061 1.00 50.11 H new ATOM 0 HG23 ILE A 67 6.919 -2.756 5.504 1.00 50.11 H new ATOM 0 HD11 ILE A 67 2.802 -0.407 4.687 1.00 12.22 H new ATOM 0 HD12 ILE A 67 3.267 -0.541 6.400 1.00 12.22 H new ATOM 0 HD13 ILE A 67 3.827 0.843 5.432 1.00 12.22 H new ATOM 1156 N ARG A 68 7.779 -1.340 8.721 1.00 34.50 N ATOM 1157 CA ARG A 68 8.752 -2.051 9.530 1.00 45.35 C ATOM 1158 C ARG A 68 8.169 -2.469 10.874 1.00 72.21 C ATOM 1159 O ARG A 68 8.558 -3.510 11.394 1.00 65.23 O ATOM 1160 CB ARG A 68 9.986 -1.153 9.687 1.00 25.50 C ATOM 1161 CG ARG A 68 10.761 -1.078 8.368 1.00 72.51 C ATOM 1162 CD ARG A 68 12.071 -0.312 8.553 1.00 70.33 C ATOM 1163 NE ARG A 68 13.222 -1.098 8.088 1.00 52.12 N ATOM 1164 CZ ARG A 68 14.476 -0.632 8.061 1.00 24.41 C ATOM 1165 NH1 ARG A 68 14.725 0.661 8.209 1.00 5.01 N ATOM 1166 NH2 ARG A 68 15.497 -1.460 7.885 1.00 5.11 N ATOM 0 H ARG A 68 8.035 -0.373 8.522 1.00 34.50 H new ATOM 0 HA ARG A 68 9.040 -2.979 9.035 1.00 45.35 H new ATOM 0 HB2 ARG A 68 9.680 -0.153 9.994 1.00 25.50 H new ATOM 0 HB3 ARG A 68 10.631 -1.544 10.474 1.00 25.50 H new ATOM 0 HG2 ARG A 68 10.971 -2.085 8.006 1.00 72.51 H new ATOM 0 HG3 ARG A 68 10.151 -0.587 7.610 1.00 72.51 H new ATOM 0 HD2 ARG A 68 12.025 0.628 8.004 1.00 70.33 H new ATOM 0 HD3 ARG A 68 12.202 -0.060 9.605 1.00 70.33 H new ATOM 0 HE ARG A 68 13.056 -2.052 7.768 1.00 52.12 H new ATOM 0 HH11 ARG A 68 13.955 1.316 8.346 1.00 5.01 H new ATOM 0 HH12 ARG A 68 15.686 1.001 8.186 1.00 5.01 H new ATOM 0 HH21 ARG A 68 15.329 -2.459 7.769 1.00 5.11 H new ATOM 0 HH22 ARG A 68 16.450 -1.097 7.866 1.00 5.11 H new ATOM 1180 N ARG A 69 7.207 -1.707 11.404 1.00 5.11 N ATOM 1181 CA ARG A 69 6.549 -1.986 12.667 1.00 31.20 C ATOM 1182 C ARG A 69 5.715 -3.255 12.547 1.00 74.23 C ATOM 1183 O ARG A 69 5.970 -4.200 13.291 1.00 41.35 O ATOM 1184 CB ARG A 69 5.669 -0.789 13.092 1.00 21.32 C ATOM 1185 CG ARG A 69 5.381 -0.822 14.598 1.00 43.32 C ATOM 1186 CD ARG A 69 6.346 0.093 15.364 1.00 22.34 C ATOM 1187 NE ARG A 69 5.855 1.479 15.457 1.00 72.31 N ATOM 1188 CZ ARG A 69 6.508 2.522 15.979 1.00 32.42 C ATOM 1189 NH1 ARG A 69 7.746 2.398 16.441 1.00 30.51 N ATOM 1190 NH2 ARG A 69 5.893 3.695 16.028 1.00 21.40 N ATOM 0 H ARG A 69 6.862 -0.861 10.950 1.00 5.11 H new ATOM 0 HA ARG A 69 7.306 -2.139 13.436 1.00 31.20 H new ATOM 0 HB2 ARG A 69 6.170 0.144 12.835 1.00 21.32 H new ATOM 0 HB3 ARG A 69 4.730 -0.809 12.539 1.00 21.32 H new ATOM 0 HG2 ARG A 69 4.354 -0.508 14.782 1.00 43.32 H new ATOM 0 HG3 ARG A 69 5.473 -1.844 14.967 1.00 43.32 H new ATOM 0 HD2 ARG A 69 6.498 -0.303 16.368 1.00 22.34 H new ATOM 0 HD3 ARG A 69 7.317 0.087 14.869 1.00 22.34 H new ATOM 0 HE ARG A 69 4.923 1.661 15.086 1.00 72.31 H new ATOM 0 HH11 ARG A 69 8.217 1.494 16.402 1.00 30.51 H new ATOM 0 HH12 ARG A 69 8.227 3.207 16.835 1.00 30.51 H new ATOM 0 HH21 ARG A 69 4.942 3.787 15.672 1.00 21.40 H new ATOM 0 HH22 ARG A 69 6.371 4.505 16.422 1.00 21.40 H new ATOM 1204 N ARG A 70 4.748 -3.312 11.628 1.00 13.22 N ATOM 1205 CA ARG A 70 3.911 -4.504 11.479 1.00 62.13 C ATOM 1206 C ARG A 70 4.666 -5.670 10.856 1.00 25.52 C ATOM 1207 O ARG A 70 4.447 -6.810 11.269 1.00 61.32 O ATOM 1208 CB ARG A 70 2.592 -4.241 10.718 1.00 73.55 C ATOM 1209 CG ARG A 70 2.678 -3.251 9.547 1.00 54.21 C ATOM 1210 CD ARG A 70 1.583 -3.323 8.464 1.00 70.54 C ATOM 1211 NE ARG A 70 0.485 -4.262 8.744 1.00 31.11 N ATOM 1212 CZ ARG A 70 -0.730 -4.024 9.245 1.00 41.45 C ATOM 1213 NH1 ARG A 70 -1.125 -2.804 9.588 1.00 5.31 N ATOM 1214 NH2 ARG A 70 -1.551 -5.051 9.400 1.00 2.42 N ATOM 0 H ARG A 70 4.527 -2.554 10.982 1.00 13.22 H new ATOM 0 HA ARG A 70 3.639 -4.782 12.497 1.00 62.13 H new ATOM 0 HB2 ARG A 70 2.219 -5.192 10.338 1.00 73.55 H new ATOM 0 HB3 ARG A 70 1.853 -3.870 11.428 1.00 73.55 H new ATOM 0 HG2 ARG A 70 2.675 -2.242 9.960 1.00 54.21 H new ATOM 0 HG3 ARG A 70 3.642 -3.393 9.059 1.00 54.21 H new ATOM 0 HD2 ARG A 70 1.162 -2.327 8.329 1.00 70.54 H new ATOM 0 HD3 ARG A 70 2.047 -3.604 7.519 1.00 70.54 H new ATOM 0 HE ARG A 70 0.681 -5.238 8.523 1.00 31.11 H new ATOM 0 HH11 ARG A 70 -0.493 -2.012 9.472 1.00 5.31 H new ATOM 0 HH12 ARG A 70 -2.060 -2.659 9.968 1.00 5.31 H new ATOM 0 HH21 ARG A 70 -1.248 -5.990 9.139 1.00 2.42 H new ATOM 0 HH22 ARG A 70 -2.486 -4.904 9.780 1.00 2.42 H new ATOM 1228 N LEU A 71 5.566 -5.416 9.904 1.00 74.31 N ATOM 1229 CA LEU A 71 6.349 -6.465 9.251 1.00 63.54 C ATOM 1230 C LEU A 71 7.450 -6.991 10.182 1.00 45.35 C ATOM 1231 O LEU A 71 8.007 -8.058 9.949 1.00 34.54 O ATOM 1232 CB LEU A 71 6.913 -5.932 7.920 1.00 34.22 C ATOM 1233 CG LEU A 71 7.653 -7.000 7.086 1.00 50.35 C ATOM 1234 CD1 LEU A 71 7.199 -7.021 5.626 1.00 73.35 C ATOM 1235 CD2 LEU A 71 9.163 -6.732 7.111 1.00 72.23 C ATOM 0 H LEU A 71 5.772 -4.477 9.564 1.00 74.31 H new ATOM 0 HA LEU A 71 5.703 -7.314 9.028 1.00 63.54 H new ATOM 0 HB2 LEU A 71 6.095 -5.524 7.327 1.00 34.22 H new ATOM 0 HB3 LEU A 71 7.597 -5.109 8.129 1.00 34.22 H new ATOM 0 HG LEU A 71 7.417 -7.964 7.536 1.00 50.35 H new ATOM 0 HD11 LEU A 71 7.751 -7.790 5.084 1.00 73.35 H new ATOM 0 HD12 LEU A 71 6.132 -7.239 5.580 1.00 73.35 H new ATOM 0 HD13 LEU A 71 7.390 -6.049 5.171 1.00 73.35 H new ATOM 0 HD21 LEU A 71 9.677 -7.490 6.520 1.00 72.23 H new ATOM 0 HD22 LEU A 71 9.365 -5.747 6.691 1.00 72.23 H new ATOM 0 HD23 LEU A 71 9.522 -6.769 8.140 1.00 72.23 H new ATOM 1247 N GLN A 72 7.731 -6.262 11.265 1.00 41.43 N ATOM 1248 CA GLN A 72 8.741 -6.571 12.267 1.00 12.33 C ATOM 1249 C GLN A 72 10.094 -6.787 11.581 1.00 1.43 C ATOM 1250 O GLN A 72 10.824 -7.737 11.869 1.00 64.33 O ATOM 1251 CB GLN A 72 8.273 -7.713 13.183 1.00 62.25 C ATOM 1252 CG GLN A 72 6.811 -7.550 13.614 1.00 2.21 C ATOM 1253 CD GLN A 72 6.478 -8.330 14.871 1.00 62.35 C ATOM 1254 OE1 GLN A 72 6.823 -9.505 14.998 1.00 4.11 O ATOM 1255 NE2 GLN A 72 5.796 -7.696 15.808 1.00 32.33 N ATOM 0 H GLN A 72 7.232 -5.397 11.473 1.00 41.43 H new ATOM 0 HA GLN A 72 8.885 -5.729 12.944 1.00 12.33 H new ATOM 0 HB2 GLN A 72 8.393 -8.664 12.664 1.00 62.25 H new ATOM 0 HB3 GLN A 72 8.909 -7.750 14.068 1.00 62.25 H new ATOM 0 HG2 GLN A 72 6.602 -6.493 13.782 1.00 2.21 H new ATOM 0 HG3 GLN A 72 6.160 -7.879 12.804 1.00 2.21 H new ATOM 0 HE21 GLN A 72 5.526 -6.722 15.671 1.00 32.33 H new ATOM 0 HE22 GLN A 72 5.540 -8.180 16.668 1.00 32.33 H new ATOM 1264 N LEU A 73 10.407 -5.880 10.649 1.00 62.25 N ATOM 1265 CA LEU A 73 11.634 -5.886 9.865 1.00 25.34 C ATOM 1266 C LEU A 73 12.815 -5.872 10.833 1.00 62.23 C ATOM 1267 O LEU A 73 12.824 -5.052 11.756 1.00 13.43 O ATOM 1268 CB LEU A 73 11.630 -4.688 8.897 1.00 74.23 C ATOM 1269 CG LEU A 73 12.557 -4.888 7.680 1.00 42.14 C ATOM 1270 CD1 LEU A 73 12.072 -4.115 6.453 1.00 13.41 C ATOM 1271 CD2 LEU A 73 14.021 -4.535 7.957 1.00 34.43 C ATOM 0 H LEU A 73 9.791 -5.101 10.417 1.00 62.25 H new ATOM 0 HA LEU A 73 11.715 -6.782 9.249 1.00 25.34 H new ATOM 0 HB2 LEU A 73 10.612 -4.516 8.546 1.00 74.23 H new ATOM 0 HB3 LEU A 73 11.937 -3.792 9.436 1.00 74.23 H new ATOM 0 HG LEU A 73 12.510 -5.957 7.473 1.00 42.14 H new ATOM 0 HD11 LEU A 73 12.756 -4.286 5.621 1.00 13.41 H new ATOM 0 HD12 LEU A 73 11.074 -4.457 6.179 1.00 13.41 H new ATOM 0 HD13 LEU A 73 12.040 -3.050 6.683 1.00 13.41 H new ATOM 0 HD21 LEU A 73 14.612 -4.701 7.056 1.00 34.43 H new ATOM 0 HD22 LEU A 73 14.093 -3.488 8.251 1.00 34.43 H new ATOM 0 HD23 LEU A 73 14.401 -5.165 8.761 1.00 34.43 H new ATOM 1283 N ASN A 74 13.784 -6.768 10.628 1.00 11.31 N ATOM 1284 CA ASN A 74 14.969 -6.895 11.457 1.00 25.21 C ATOM 1285 C ASN A 74 15.694 -5.565 11.557 1.00 41.44 C ATOM 1286 O ASN A 74 15.614 -4.706 10.678 1.00 10.22 O ATOM 1287 CB ASN A 74 15.918 -7.973 10.907 1.00 74.34 C ATOM 1288 CG ASN A 74 16.124 -9.151 11.849 1.00 34.42 C ATOM 1289 OD1 ASN A 74 15.803 -9.122 13.036 1.00 50.42 O ATOM 1290 ND2 ASN A 74 16.699 -10.213 11.323 1.00 74.51 N ATOM 0 H ASN A 74 13.758 -7.438 9.860 1.00 11.31 H new ATOM 0 HA ASN A 74 14.648 -7.198 12.453 1.00 25.21 H new ATOM 0 HB2 ASN A 74 15.523 -8.342 9.960 1.00 74.34 H new ATOM 0 HB3 ASN A 74 16.885 -7.517 10.693 1.00 74.34 H new ATOM 0 HD21 ASN A 74 16.886 -11.031 11.902 1.00 74.51 H new ATOM 0 HD22 ASN A 74 16.957 -10.217 10.336 1.00 74.51 H new ATOM 1297 N ALA A 75 16.420 -5.405 12.650 1.00 32.41 N ATOM 1298 CA ALA A 75 17.183 -4.199 12.908 1.00 10.04 C ATOM 1299 C ALA A 75 18.557 -4.360 12.282 1.00 24.22 C ATOM 1300 O ALA A 75 19.190 -3.373 11.905 1.00 22.21 O ATOM 1301 CB ALA A 75 17.321 -3.957 14.409 1.00 5.43 C ATOM 0 H ALA A 75 16.496 -6.109 13.384 1.00 32.41 H new ATOM 0 HA ALA A 75 16.667 -3.342 12.476 1.00 10.04 H new ATOM 0 HB1 ALA A 75 17.897 -3.047 14.579 1.00 5.43 H new ATOM 0 HB2 ALA A 75 16.331 -3.848 14.853 1.00 5.43 H new ATOM 0 HB3 ALA A 75 17.834 -4.802 14.868 1.00 5.43 H new ATOM 1307 N ASN A 76 19.012 -5.611 12.177 1.00 45.41 N ATOM 1308 CA ASN A 76 20.304 -5.957 11.615 1.00 25.24 C ATOM 1309 C ASN A 76 20.256 -5.960 10.095 1.00 4.00 C ATOM 1310 O ASN A 76 21.329 -5.990 9.495 1.00 70.41 O ATOM 1311 CB ASN A 76 20.766 -7.337 12.117 1.00 54.04 C ATOM 1312 CG ASN A 76 19.668 -8.366 11.958 1.00 23.50 C ATOM 1313 OD1 ASN A 76 18.834 -8.507 12.839 1.00 32.33 O ATOM 1314 ND2 ASN A 76 19.548 -8.994 10.807 1.00 42.12 N ATOM 0 H ASN A 76 18.477 -6.421 12.488 1.00 45.41 H new ATOM 0 HA ASN A 76 21.017 -5.201 11.943 1.00 25.24 H new ATOM 0 HB2 ASN A 76 21.649 -7.653 11.562 1.00 54.04 H new ATOM 0 HB3 ASN A 76 21.056 -7.268 13.165 1.00 54.04 H new ATOM 0 HD21 ASN A 76 18.750 -9.608 10.642 1.00 42.12 H new ATOM 0 HD22 ASN A 76 20.253 -8.866 10.081 1.00 42.12 H new ATOM 1321 N GLN A 77 19.062 -5.937 9.485 1.00 73.53 N ATOM 1322 CA GLN A 77 18.917 -5.949 8.024 1.00 52.01 C ATOM 1323 C GLN A 77 18.180 -4.702 7.533 1.00 2.01 C ATOM 1324 O GLN A 77 17.422 -4.095 8.289 1.00 44.01 O ATOM 1325 CB GLN A 77 18.305 -7.276 7.547 1.00 53.04 C ATOM 1326 CG GLN A 77 16.785 -7.263 7.341 1.00 44.33 C ATOM 1327 CD GLN A 77 16.313 -8.641 6.903 1.00 3.30 C ATOM 1328 OE1 GLN A 77 15.853 -9.437 7.713 1.00 42.44 O ATOM 1329 NE2 GLN A 77 16.488 -8.971 5.638 1.00 55.11 N ATOM 0 H GLN A 77 18.175 -5.910 9.988 1.00 73.53 H new ATOM 0 HA GLN A 77 19.904 -5.899 7.564 1.00 52.01 H new ATOM 0 HB2 GLN A 77 18.780 -7.558 6.607 1.00 53.04 H new ATOM 0 HB3 GLN A 77 18.550 -8.051 8.273 1.00 53.04 H new ATOM 0 HG2 GLN A 77 16.286 -6.975 8.266 1.00 44.33 H new ATOM 0 HG3 GLN A 77 16.517 -6.521 6.589 1.00 44.33 H new ATOM 0 HE21 GLN A 77 16.873 -8.291 4.982 1.00 55.11 H new ATOM 0 HE22 GLN A 77 16.239 -9.906 5.316 1.00 55.11 H new ATOM 1338 N ALA A 78 18.440 -4.271 6.299 1.00 30.50 N ATOM 1339 CA ALA A 78 17.819 -3.100 5.679 1.00 74.24 C ATOM 1340 C ALA A 78 17.041 -3.518 4.437 1.00 21.14 C ATOM 1341 O ALA A 78 17.251 -4.623 3.936 1.00 70.31 O ATOM 1342 CB ALA A 78 18.877 -2.050 5.328 1.00 32.50 C ATOM 0 H ALA A 78 19.107 -4.740 5.686 1.00 30.50 H new ATOM 0 HA ALA A 78 17.125 -2.654 6.391 1.00 74.24 H new ATOM 0 HB1 ALA A 78 18.395 -1.187 4.868 1.00 32.50 H new ATOM 0 HB2 ALA A 78 19.393 -1.736 6.235 1.00 32.50 H new ATOM 0 HB3 ALA A 78 19.597 -2.478 4.630 1.00 32.50 H new ATOM 1348 N PHE A 79 16.171 -2.646 3.928 1.00 14.01 N ATOM 1349 CA PHE A 79 15.373 -2.920 2.736 1.00 4.44 C ATOM 1350 C PHE A 79 15.083 -1.649 1.943 1.00 14.44 C ATOM 1351 O PHE A 79 15.388 -0.549 2.415 1.00 11.21 O ATOM 1352 CB PHE A 79 14.052 -3.562 3.157 1.00 11.33 C ATOM 1353 CG PHE A 79 12.943 -2.579 3.495 1.00 32.11 C ATOM 1354 CD1 PHE A 79 13.126 -1.621 4.508 1.00 52.12 C ATOM 1355 CD2 PHE A 79 11.756 -2.566 2.741 1.00 13.14 C ATOM 1356 CE1 PHE A 79 12.122 -0.682 4.776 1.00 3.23 C ATOM 1357 CE2 PHE A 79 10.740 -1.645 3.029 1.00 53.15 C ATOM 1358 CZ PHE A 79 10.917 -0.704 4.050 1.00 43.41 C ATOM 0 H PHE A 79 16.000 -1.726 4.334 1.00 14.01 H new ATOM 0 HA PHE A 79 15.943 -3.593 2.095 1.00 4.44 H new ATOM 0 HB2 PHE A 79 13.708 -4.213 2.353 1.00 11.33 H new ATOM 0 HB3 PHE A 79 14.233 -4.196 4.025 1.00 11.33 H new ATOM 0 HD1 PHE A 79 14.042 -1.609 5.080 1.00 52.12 H new ATOM 0 HD2 PHE A 79 11.626 -3.271 1.934 1.00 13.14 H new ATOM 0 HE1 PHE A 79 12.273 0.062 5.544 1.00 3.23 H new ATOM 0 HE2 PHE A 79 9.820 -1.661 2.463 1.00 53.15 H new ATOM 0 HZ PHE A 79 10.132 0.002 4.279 1.00 43.41 H new ATOM 1368 N PHE A 80 14.453 -1.803 0.777 1.00 42.22 N ATOM 1369 CA PHE A 80 14.081 -0.706 -0.097 1.00 21.51 C ATOM 1370 C PHE A 80 12.615 -0.873 -0.495 1.00 44.41 C ATOM 1371 O PHE A 80 12.082 -1.985 -0.575 1.00 43.45 O ATOM 1372 CB PHE A 80 15.020 -0.663 -1.308 1.00 75.54 C ATOM 1373 CG PHE A 80 16.465 -0.413 -0.931 1.00 61.31 C ATOM 1374 CD1 PHE A 80 16.950 0.904 -0.843 1.00 74.12 C ATOM 1375 CD2 PHE A 80 17.320 -1.492 -0.642 1.00 62.54 C ATOM 1376 CE1 PHE A 80 18.295 1.135 -0.515 1.00 32.22 C ATOM 1377 CE2 PHE A 80 18.666 -1.262 -0.314 1.00 53.24 C ATOM 1378 CZ PHE A 80 19.157 0.053 -0.273 1.00 14.13 C ATOM 0 H PHE A 80 14.184 -2.717 0.412 1.00 42.22 H new ATOM 0 HA PHE A 80 14.184 0.251 0.415 1.00 21.51 H new ATOM 0 HB2 PHE A 80 14.950 -1.607 -1.848 1.00 75.54 H new ATOM 0 HB3 PHE A 80 14.688 0.120 -1.990 1.00 75.54 H new ATOM 0 HD1 PHE A 80 16.288 1.737 -1.028 1.00 74.12 H new ATOM 0 HD2 PHE A 80 16.939 -2.502 -0.673 1.00 62.54 H new ATOM 0 HE1 PHE A 80 18.668 2.146 -0.449 1.00 32.22 H new ATOM 0 HE2 PHE A 80 19.320 -2.093 -0.094 1.00 53.24 H new ATOM 0 HZ PHE A 80 20.199 0.233 -0.055 1.00 14.13 H new ATOM 1388 N LEU A 81 11.969 0.272 -0.699 1.00 30.54 N ATOM 1389 CA LEU A 81 10.581 0.436 -1.092 1.00 61.23 C ATOM 1390 C LEU A 81 10.660 1.119 -2.454 1.00 21.30 C ATOM 1391 O LEU A 81 11.280 2.174 -2.593 1.00 45.05 O ATOM 1392 CB LEU A 81 9.870 1.330 -0.064 1.00 52.25 C ATOM 1393 CG LEU A 81 8.340 1.193 -0.035 1.00 32.51 C ATOM 1394 CD1 LEU A 81 7.611 1.049 -1.360 1.00 31.33 C ATOM 1395 CD2 LEU A 81 7.900 0.116 0.959 1.00 24.12 C ATOM 0 H LEU A 81 12.439 1.170 -0.585 1.00 30.54 H new ATOM 0 HA LEU A 81 10.024 -0.500 -1.140 1.00 61.23 H new ATOM 0 HB2 LEU A 81 10.260 1.099 0.927 1.00 52.25 H new ATOM 0 HB3 LEU A 81 10.123 2.370 -0.272 1.00 52.25 H new ATOM 0 HG LEU A 81 8.022 2.180 0.301 1.00 32.51 H new ATOM 0 HD11 LEU A 81 6.540 0.963 -1.178 1.00 31.33 H new ATOM 0 HD12 LEU A 81 7.805 1.925 -1.979 1.00 31.33 H new ATOM 0 HD13 LEU A 81 7.965 0.156 -1.875 1.00 31.33 H new ATOM 0 HD21 LEU A 81 6.813 0.042 0.957 1.00 24.12 H new ATOM 0 HD22 LEU A 81 8.329 -0.843 0.670 1.00 24.12 H new ATOM 0 HD23 LEU A 81 8.244 0.381 1.959 1.00 24.12 H new ATOM 1407 N LEU A 82 10.072 0.479 -3.444 1.00 20.40 N ATOM 1408 CA LEU A 82 10.019 0.886 -4.839 1.00 51.33 C ATOM 1409 C LEU A 82 8.620 1.406 -5.169 1.00 61.45 C ATOM 1410 O LEU A 82 7.637 0.906 -4.621 1.00 74.25 O ATOM 1411 CB LEU A 82 10.347 -0.329 -5.716 1.00 60.55 C ATOM 1412 CG LEU A 82 11.687 -1.026 -5.396 1.00 61.33 C ATOM 1413 CD1 LEU A 82 11.568 -2.216 -4.433 1.00 22.34 C ATOM 1414 CD2 LEU A 82 12.325 -1.493 -6.705 1.00 15.23 C ATOM 0 H LEU A 82 9.583 -0.402 -3.287 1.00 20.40 H new ATOM 0 HA LEU A 82 10.741 1.681 -5.026 1.00 51.33 H new ATOM 0 HB2 LEU A 82 9.543 -1.058 -5.615 1.00 60.55 H new ATOM 0 HB3 LEU A 82 10.360 -0.012 -6.759 1.00 60.55 H new ATOM 0 HG LEU A 82 12.306 -0.289 -4.885 1.00 61.33 H new ATOM 0 HD11 LEU A 82 12.555 -2.647 -4.263 1.00 22.34 H new ATOM 0 HD12 LEU A 82 11.152 -1.876 -3.485 1.00 22.34 H new ATOM 0 HD13 LEU A 82 10.913 -2.971 -4.867 1.00 22.34 H new ATOM 0 HD21 LEU A 82 13.273 -1.987 -6.492 1.00 15.23 H new ATOM 0 HD22 LEU A 82 11.656 -2.192 -7.207 1.00 15.23 H new ATOM 0 HD23 LEU A 82 12.502 -0.633 -7.351 1.00 15.23 H new ATOM 1426 N VAL A 83 8.507 2.369 -6.085 1.00 4.23 N ATOM 1427 CA VAL A 83 7.232 2.958 -6.511 1.00 62.41 C ATOM 1428 C VAL A 83 7.053 2.500 -7.951 1.00 53.22 C ATOM 1429 O VAL A 83 7.973 2.653 -8.748 1.00 52.13 O ATOM 1430 CB VAL A 83 7.220 4.483 -6.290 1.00 61.11 C ATOM 1431 CG1 VAL A 83 5.809 5.030 -6.535 1.00 40.23 C ATOM 1432 CG2 VAL A 83 7.613 4.786 -4.839 1.00 72.35 C ATOM 0 H VAL A 83 9.314 2.771 -6.562 1.00 4.23 H new ATOM 0 HA VAL A 83 6.377 2.627 -5.921 1.00 62.41 H new ATOM 0 HB VAL A 83 7.924 4.950 -6.979 1.00 61.11 H new ATOM 0 HG11 VAL A 83 5.805 6.109 -6.378 1.00 40.23 H new ATOM 0 HG12 VAL A 83 5.507 4.811 -7.559 1.00 40.23 H new ATOM 0 HG13 VAL A 83 5.111 4.559 -5.842 1.00 40.23 H new ATOM 0 HG21 VAL A 83 7.606 5.864 -4.678 1.00 72.35 H new ATOM 0 HG22 VAL A 83 6.901 4.313 -4.163 1.00 72.35 H new ATOM 0 HG23 VAL A 83 8.612 4.396 -4.644 1.00 72.35 H new ATOM 1442 N ASN A 84 5.925 1.856 -8.271 1.00 43.31 N ATOM 1443 CA ASN A 84 5.623 1.289 -9.596 1.00 33.14 C ATOM 1444 C ASN A 84 6.660 0.218 -9.974 1.00 63.24 C ATOM 1445 O ASN A 84 6.703 -0.238 -11.116 1.00 35.44 O ATOM 1446 CB ASN A 84 5.449 2.364 -10.697 1.00 53.11 C ATOM 1447 CG ASN A 84 4.037 2.926 -10.731 1.00 0.24 C ATOM 1448 OD1 ASN A 84 3.074 2.187 -10.559 1.00 22.21 O ATOM 1449 ND2 ASN A 84 3.889 4.217 -10.937 1.00 35.13 N ATOM 0 H ASN A 84 5.173 1.709 -7.598 1.00 43.31 H new ATOM 0 HA ASN A 84 4.650 0.803 -9.524 1.00 33.14 H new ATOM 0 HB2 ASN A 84 6.157 3.175 -10.526 1.00 53.11 H new ATOM 0 HB3 ASN A 84 5.689 1.930 -11.668 1.00 53.11 H new ATOM 0 HD21 ASN A 84 2.955 4.627 -10.957 1.00 35.13 H new ATOM 0 HD22 ASN A 84 4.708 4.808 -11.077 1.00 35.13 H new ATOM 1456 N GLY A 85 7.479 -0.220 -9.008 1.00 63.55 N ATOM 1457 CA GLY A 85 8.537 -1.199 -9.188 1.00 20.10 C ATOM 1458 C GLY A 85 9.892 -0.532 -9.433 1.00 41.22 C ATOM 1459 O GLY A 85 10.879 -1.220 -9.685 1.00 24.22 O ATOM 0 H GLY A 85 7.413 0.116 -8.047 1.00 63.55 H new ATOM 0 HA2 GLY A 85 8.599 -1.834 -8.304 1.00 20.10 H new ATOM 0 HA3 GLY A 85 8.293 -1.847 -10.030 1.00 20.10 H new ATOM 1463 N HIS A 86 9.980 0.791 -9.270 1.00 11.21 N ATOM 1464 CA HIS A 86 11.168 1.595 -9.479 1.00 31.40 C ATOM 1465 C HIS A 86 11.561 2.381 -8.221 1.00 52.35 C ATOM 1466 O HIS A 86 10.828 3.258 -7.756 1.00 34.30 O ATOM 1467 CB HIS A 86 10.902 2.545 -10.662 1.00 14.21 C ATOM 1468 CG HIS A 86 10.336 1.869 -11.891 1.00 61.45 C ATOM 1469 ND1 HIS A 86 11.058 1.252 -12.886 1.00 31.53 N ATOM 1470 CD2 HIS A 86 9.009 1.741 -12.205 1.00 63.52 C ATOM 1471 CE1 HIS A 86 10.187 0.766 -13.786 1.00 24.24 C ATOM 1472 NE2 HIS A 86 8.922 1.015 -13.401 1.00 4.14 N ATOM 0 H HIS A 86 9.180 1.350 -8.974 1.00 11.21 H new ATOM 0 HA HIS A 86 12.009 0.939 -9.703 1.00 31.40 H new ATOM 0 HB2 HIS A 86 10.210 3.323 -10.339 1.00 14.21 H new ATOM 0 HB3 HIS A 86 11.835 3.040 -10.932 1.00 14.21 H new ATOM 0 HD2 HIS A 86 8.179 2.130 -11.634 1.00 63.52 H new ATOM 0 HE1 HIS A 86 10.464 0.248 -14.692 1.00 24.24 H new ATOM 0 HE2 HIS A 86 8.069 0.732 -13.884 1.00 4.14 H new ATOM 1480 N SER A 87 12.697 2.044 -7.610 1.00 63.22 N ATOM 1481 CA SER A 87 13.203 2.748 -6.440 1.00 55.31 C ATOM 1482 C SER A 87 13.885 4.001 -6.998 1.00 51.33 C ATOM 1483 O SER A 87 15.100 4.018 -7.221 1.00 1.13 O ATOM 1484 CB SER A 87 14.176 1.874 -5.638 1.00 12.01 C ATOM 1485 OG SER A 87 14.230 2.336 -4.305 1.00 15.00 O ATOM 0 H SER A 87 13.291 1.273 -7.916 1.00 63.22 H new ATOM 0 HA SER A 87 12.408 3.003 -5.739 1.00 55.31 H new ATOM 0 HB2 SER A 87 13.852 0.834 -5.661 1.00 12.01 H new ATOM 0 HB3 SER A 87 15.169 1.909 -6.087 1.00 12.01 H new ATOM 0 HG SER A 87 14.850 1.778 -3.790 1.00 15.00 H new ATOM 1491 N MET A 88 13.101 5.053 -7.229 1.00 35.20 N ATOM 1492 CA MET A 88 13.562 6.330 -7.772 1.00 61.54 C ATOM 1493 C MET A 88 13.026 7.528 -6.985 1.00 24.53 C ATOM 1494 O MET A 88 13.084 8.656 -7.464 1.00 74.11 O ATOM 1495 CB MET A 88 13.219 6.393 -9.269 1.00 33.23 C ATOM 1496 CG MET A 88 11.712 6.401 -9.564 1.00 62.43 C ATOM 1497 SD MET A 88 11.344 6.202 -11.325 1.00 2.00 S ATOM 1498 CE MET A 88 9.536 6.295 -11.283 1.00 40.04 C ATOM 0 H MET A 88 12.099 5.040 -7.038 1.00 35.20 H new ATOM 0 HA MET A 88 14.645 6.390 -7.664 1.00 61.54 H new ATOM 0 HB2 MET A 88 13.667 7.290 -9.697 1.00 33.23 H new ATOM 0 HB3 MET A 88 13.673 5.539 -9.772 1.00 33.23 H new ATOM 0 HG2 MET A 88 11.232 5.599 -9.004 1.00 62.43 H new ATOM 0 HG3 MET A 88 11.282 7.338 -9.211 1.00 62.43 H new ATOM 0 HE1 MET A 88 9.144 6.225 -12.298 1.00 40.04 H new ATOM 0 HE2 MET A 88 9.143 5.473 -10.685 1.00 40.04 H new ATOM 0 HE3 MET A 88 9.231 7.243 -10.841 1.00 40.04 H new ATOM 1508 N VAL A 89 12.457 7.276 -5.806 1.00 5.24 N ATOM 1509 CA VAL A 89 11.892 8.286 -4.920 1.00 33.11 C ATOM 1510 C VAL A 89 12.770 8.345 -3.666 1.00 63.12 C ATOM 1511 O VAL A 89 13.596 7.443 -3.452 1.00 71.41 O ATOM 1512 CB VAL A 89 10.410 7.948 -4.628 1.00 30.22 C ATOM 1513 CG1 VAL A 89 9.620 7.683 -5.923 1.00 3.00 C ATOM 1514 CG2 VAL A 89 10.255 6.748 -3.677 1.00 53.43 C ATOM 0 H VAL A 89 12.376 6.331 -5.432 1.00 5.24 H new ATOM 0 HA VAL A 89 11.888 9.277 -5.373 1.00 33.11 H new ATOM 0 HB VAL A 89 9.998 8.828 -4.134 1.00 30.22 H new ATOM 0 HG11 VAL A 89 8.584 7.449 -5.676 1.00 3.00 H new ATOM 0 HG12 VAL A 89 9.651 8.570 -6.556 1.00 3.00 H new ATOM 0 HG13 VAL A 89 10.065 6.842 -6.455 1.00 3.00 H new ATOM 0 HG21 VAL A 89 9.196 6.554 -3.506 1.00 53.43 H new ATOM 0 HG22 VAL A 89 10.718 5.868 -4.123 1.00 53.43 H new ATOM 0 HG23 VAL A 89 10.741 6.971 -2.727 1.00 53.43 H new ATOM 1524 N SER A 90 12.607 9.364 -2.821 1.00 73.34 N ATOM 1525 CA SER A 90 13.393 9.496 -1.601 1.00 50.25 C ATOM 1526 C SER A 90 12.534 9.354 -0.349 1.00 32.21 C ATOM 1527 O SER A 90 11.307 9.491 -0.387 1.00 74.31 O ATOM 1528 CB SER A 90 14.176 10.804 -1.610 1.00 72.32 C ATOM 1529 OG SER A 90 14.669 11.158 -2.892 1.00 63.11 O ATOM 0 H SER A 90 11.931 10.114 -2.964 1.00 73.34 H new ATOM 0 HA SER A 90 14.110 8.675 -1.574 1.00 50.25 H new ATOM 0 HB2 SER A 90 13.535 11.605 -1.242 1.00 72.32 H new ATOM 0 HB3 SER A 90 15.013 10.722 -0.917 1.00 72.32 H new ATOM 0 HG SER A 90 15.159 12.004 -2.832 1.00 63.11 H new ATOM 1535 N VAL A 91 13.206 9.135 0.781 1.00 53.15 N ATOM 1536 CA VAL A 91 12.600 8.944 2.092 1.00 10.14 C ATOM 1537 C VAL A 91 12.051 10.255 2.705 1.00 43.22 C ATOM 1538 O VAL A 91 11.336 10.207 3.710 1.00 62.23 O ATOM 1539 CB VAL A 91 13.577 8.123 2.972 1.00 1.22 C ATOM 1540 CG1 VAL A 91 13.007 7.755 4.346 1.00 33.22 C ATOM 1541 CG2 VAL A 91 13.943 6.803 2.261 1.00 65.35 C ATOM 0 H VAL A 91 14.224 9.084 0.806 1.00 53.15 H new ATOM 0 HA VAL A 91 11.688 8.353 2.008 1.00 10.14 H new ATOM 0 HB VAL A 91 14.445 8.765 3.121 1.00 1.22 H new ATOM 0 HG11 VAL A 91 13.746 7.182 4.905 1.00 33.22 H new ATOM 0 HG12 VAL A 91 12.763 8.665 4.894 1.00 33.22 H new ATOM 0 HG13 VAL A 91 12.105 7.156 4.217 1.00 33.22 H new ATOM 0 HG21 VAL A 91 14.630 6.232 2.885 1.00 65.35 H new ATOM 0 HG22 VAL A 91 13.039 6.220 2.089 1.00 65.35 H new ATOM 0 HG23 VAL A 91 14.420 7.024 1.306 1.00 65.35 H new ATOM 1551 N SER A 92 12.300 11.414 2.076 1.00 2.33 N ATOM 1552 CA SER A 92 11.833 12.722 2.543 1.00 51.45 C ATOM 1553 C SER A 92 10.964 13.467 1.517 1.00 44.02 C ATOM 1554 O SER A 92 10.727 14.668 1.667 1.00 65.53 O ATOM 1555 CB SER A 92 13.020 13.555 3.039 1.00 51.44 C ATOM 1556 OG SER A 92 13.736 12.819 4.016 1.00 44.05 O ATOM 0 H SER A 92 12.842 11.466 1.213 1.00 2.33 H new ATOM 0 HA SER A 92 11.162 12.550 3.385 1.00 51.45 H new ATOM 0 HB2 SER A 92 13.675 13.807 2.205 1.00 51.44 H new ATOM 0 HB3 SER A 92 12.667 14.495 3.463 1.00 51.44 H new ATOM 0 HG SER A 92 14.496 13.350 4.333 1.00 44.05 H new ATOM 1562 N THR A 93 10.550 12.809 0.434 1.00 5.41 N ATOM 1563 CA THR A 93 9.690 13.379 -0.604 1.00 4.11 C ATOM 1564 C THR A 93 8.251 13.148 -0.108 1.00 30.11 C ATOM 1565 O THR A 93 7.937 11.994 0.193 1.00 62.51 O ATOM 1566 CB THR A 93 9.945 12.641 -1.928 1.00 44.05 C ATOM 1567 OG1 THR A 93 11.333 12.489 -2.183 1.00 31.12 O ATOM 1568 CG2 THR A 93 9.320 13.399 -3.095 1.00 34.31 C ATOM 0 H THR A 93 10.810 11.840 0.249 1.00 5.41 H new ATOM 0 HA THR A 93 9.878 14.438 -0.781 1.00 4.11 H new ATOM 0 HB THR A 93 9.489 11.655 -1.834 1.00 44.05 H new ATOM 0 HG1 THR A 93 11.464 12.161 -3.097 1.00 31.12 H new ATOM 0 HG21 THR A 93 9.512 12.860 -4.023 1.00 34.31 H new ATOM 0 HG22 THR A 93 8.244 13.483 -2.940 1.00 34.31 H new ATOM 0 HG23 THR A 93 9.757 14.396 -3.157 1.00 34.31 H new ATOM 1576 N PRO A 94 7.357 14.142 -0.002 1.00 44.33 N ATOM 1577 CA PRO A 94 6.022 13.866 0.507 1.00 30.32 C ATOM 1578 C PRO A 94 5.245 12.941 -0.428 1.00 10.23 C ATOM 1579 O PRO A 94 5.373 12.992 -1.663 1.00 43.12 O ATOM 1580 CB PRO A 94 5.371 15.222 0.744 1.00 5.34 C ATOM 1581 CG PRO A 94 6.100 16.143 -0.232 1.00 45.32 C ATOM 1582 CD PRO A 94 7.512 15.553 -0.311 1.00 25.11 C ATOM 0 HA PRO A 94 6.044 13.313 1.446 1.00 30.32 H new ATOM 0 HB2 PRO A 94 4.300 15.193 0.545 1.00 5.34 H new ATOM 0 HB3 PRO A 94 5.495 15.552 1.776 1.00 5.34 H new ATOM 0 HG2 PRO A 94 5.616 16.153 -1.209 1.00 45.32 H new ATOM 0 HG3 PRO A 94 6.117 17.172 0.126 1.00 45.32 H new ATOM 0 HD2 PRO A 94 7.942 15.693 -1.303 1.00 25.11 H new ATOM 0 HD3 PRO A 94 8.182 16.040 0.398 1.00 25.11 H new ATOM 1590 N ILE A 95 4.424 12.074 0.176 1.00 42.45 N ATOM 1591 CA ILE A 95 3.657 11.137 -0.614 1.00 13.31 C ATOM 1592 C ILE A 95 2.671 11.887 -1.510 1.00 13.22 C ATOM 1593 O ILE A 95 2.263 11.319 -2.518 1.00 2.00 O ATOM 1594 CB ILE A 95 3.114 9.985 0.270 1.00 73.52 C ATOM 1595 CG1 ILE A 95 2.691 8.732 -0.533 1.00 5.43 C ATOM 1596 CG2 ILE A 95 1.962 10.397 1.190 1.00 64.22 C ATOM 1597 CD1 ILE A 95 3.921 8.092 -1.183 1.00 23.31 C ATOM 0 H ILE A 95 4.283 12.010 1.184 1.00 42.45 H new ATOM 0 HA ILE A 95 4.283 10.604 -1.329 1.00 13.31 H new ATOM 0 HB ILE A 95 3.973 9.728 0.890 1.00 73.52 H new ATOM 0 HG12 ILE A 95 2.202 8.015 0.126 1.00 5.43 H new ATOM 0 HG13 ILE A 95 1.966 9.007 -1.299 1.00 5.43 H new ATOM 0 HG21 ILE A 95 1.638 9.536 1.775 1.00 64.22 H new ATOM 0 HG22 ILE A 95 2.298 11.187 1.862 1.00 64.22 H new ATOM 0 HG23 ILE A 95 1.129 10.761 0.589 1.00 64.22 H new ATOM 0 HD11 ILE A 95 3.617 7.210 -1.747 1.00 23.31 H new ATOM 0 HD12 ILE A 95 4.391 8.809 -1.856 1.00 23.31 H new ATOM 0 HD13 ILE A 95 4.631 7.801 -0.409 1.00 23.31 H new ATOM 1609 N SER A 96 2.288 13.138 -1.207 1.00 11.44 N ATOM 1610 CA SER A 96 1.377 13.965 -2.007 1.00 24.22 C ATOM 1611 C SER A 96 1.907 14.057 -3.444 1.00 43.03 C ATOM 1612 O SER A 96 1.247 13.608 -4.391 1.00 73.45 O ATOM 1613 CB SER A 96 1.258 15.377 -1.393 1.00 1.00 C ATOM 1614 OG SER A 96 2.531 15.859 -0.990 1.00 11.12 O ATOM 0 H SER A 96 2.617 13.616 -0.368 1.00 11.44 H new ATOM 0 HA SER A 96 0.388 13.508 -2.014 1.00 24.22 H new ATOM 0 HB2 SER A 96 0.819 16.059 -2.121 1.00 1.00 H new ATOM 0 HB3 SER A 96 0.586 15.350 -0.535 1.00 1.00 H new ATOM 0 HG SER A 96 2.435 16.755 -0.605 1.00 11.12 H new ATOM 1620 N GLU A 97 3.126 14.587 -3.580 1.00 2.32 N ATOM 1621 CA GLU A 97 3.779 14.768 -4.861 1.00 33.54 C ATOM 1622 C GLU A 97 4.132 13.422 -5.484 1.00 74.23 C ATOM 1623 O GLU A 97 3.962 13.253 -6.697 1.00 43.11 O ATOM 1624 CB GLU A 97 4.963 15.752 -4.740 1.00 25.20 C ATOM 1625 CG GLU A 97 6.275 15.176 -4.187 1.00 33.22 C ATOM 1626 CD GLU A 97 7.423 16.184 -4.259 1.00 52.22 C ATOM 1627 OE1 GLU A 97 7.397 17.191 -3.512 1.00 62.22 O ATOM 1628 OE2 GLU A 97 8.367 15.961 -5.054 1.00 42.15 O ATOM 0 H GLU A 97 3.686 14.903 -2.788 1.00 2.32 H new ATOM 0 HA GLU A 97 3.087 15.236 -5.561 1.00 33.54 H new ATOM 0 HB2 GLU A 97 5.162 16.170 -5.727 1.00 25.20 H new ATOM 0 HB3 GLU A 97 4.656 16.579 -4.100 1.00 25.20 H new ATOM 0 HG2 GLU A 97 6.127 14.869 -3.152 1.00 33.22 H new ATOM 0 HG3 GLU A 97 6.543 14.282 -4.749 1.00 33.22 H new ATOM 1635 N VAL A 98 4.599 12.450 -4.685 1.00 44.21 N ATOM 1636 CA VAL A 98 4.923 11.150 -5.268 1.00 33.41 C ATOM 1637 C VAL A 98 3.640 10.518 -5.832 1.00 30.52 C ATOM 1638 O VAL A 98 3.694 9.833 -6.850 1.00 1.33 O ATOM 1639 CB VAL A 98 5.690 10.238 -4.291 1.00 11.20 C ATOM 1640 CG1 VAL A 98 6.039 8.903 -4.970 1.00 53.02 C ATOM 1641 CG2 VAL A 98 7.007 10.876 -3.823 1.00 30.10 C ATOM 0 H VAL A 98 4.754 12.535 -3.680 1.00 44.21 H new ATOM 0 HA VAL A 98 5.617 11.291 -6.096 1.00 33.41 H new ATOM 0 HB VAL A 98 5.037 10.083 -3.432 1.00 11.20 H new ATOM 0 HG11 VAL A 98 6.581 8.269 -4.268 1.00 53.02 H new ATOM 0 HG12 VAL A 98 5.122 8.401 -5.279 1.00 53.02 H new ATOM 0 HG13 VAL A 98 6.662 9.091 -5.844 1.00 53.02 H new ATOM 0 HG21 VAL A 98 7.515 10.199 -3.136 1.00 30.10 H new ATOM 0 HG22 VAL A 98 7.646 11.065 -4.685 1.00 30.10 H new ATOM 0 HG23 VAL A 98 6.795 11.817 -3.315 1.00 30.10 H new ATOM 1651 N TYR A 99 2.496 10.688 -5.161 1.00 22.33 N ATOM 1652 CA TYR A 99 1.217 10.147 -5.590 1.00 23.51 C ATOM 1653 C TYR A 99 0.841 10.704 -6.942 1.00 51.21 C ATOM 1654 O TYR A 99 0.708 9.924 -7.878 1.00 5.02 O ATOM 1655 CB TYR A 99 0.096 10.431 -4.589 1.00 52.14 C ATOM 1656 CG TYR A 99 -1.256 10.000 -5.126 1.00 33.30 C ATOM 1657 CD1 TYR A 99 -1.499 8.643 -5.403 1.00 43.22 C ATOM 1658 CD2 TYR A 99 -2.235 10.957 -5.442 1.00 74.11 C ATOM 1659 CE1 TYR A 99 -2.707 8.230 -5.989 1.00 13.33 C ATOM 1660 CE2 TYR A 99 -3.454 10.556 -6.006 1.00 14.01 C ATOM 1661 CZ TYR A 99 -3.690 9.196 -6.291 1.00 5.12 C ATOM 1662 OH TYR A 99 -4.887 8.834 -6.821 1.00 21.14 O ATOM 0 H TYR A 99 2.440 11.216 -4.290 1.00 22.33 H new ATOM 0 HA TYR A 99 1.336 9.065 -5.653 1.00 23.51 H new ATOM 0 HB2 TYR A 99 0.301 9.908 -3.655 1.00 52.14 H new ATOM 0 HB3 TYR A 99 0.074 11.496 -4.359 1.00 52.14 H new ATOM 0 HD1 TYR A 99 -0.746 7.908 -5.162 1.00 43.22 H new ATOM 0 HD2 TYR A 99 -2.048 12.003 -5.250 1.00 74.11 H new ATOM 0 HE1 TYR A 99 -2.881 7.186 -6.206 1.00 13.33 H new ATOM 0 HE2 TYR A 99 -4.215 11.291 -6.223 1.00 14.01 H new ATOM 0 HH TYR A 99 -4.879 7.875 -7.023 1.00 21.14 H new ATOM 1672 N GLU A 100 0.668 12.024 -7.065 1.00 41.05 N ATOM 1673 CA GLU A 100 0.287 12.542 -8.374 1.00 45.24 C ATOM 1674 C GLU A 100 1.365 12.306 -9.436 1.00 5.30 C ATOM 1675 O GLU A 100 1.019 12.327 -10.613 1.00 31.53 O ATOM 1676 CB GLU A 100 -0.221 13.980 -8.324 1.00 4.42 C ATOM 1677 CG GLU A 100 0.666 14.934 -7.539 1.00 14.43 C ATOM 1678 CD GLU A 100 0.211 16.375 -7.766 1.00 74.55 C ATOM 1679 OE1 GLU A 100 -0.815 16.788 -7.163 1.00 31.11 O ATOM 1680 OE2 GLU A 100 0.914 17.108 -8.502 1.00 51.24 O ATOM 0 H GLU A 100 0.778 12.714 -6.322 1.00 41.05 H new ATOM 0 HA GLU A 100 -0.572 11.953 -8.696 1.00 45.24 H new ATOM 0 HB2 GLU A 100 -0.321 14.352 -9.343 1.00 4.42 H new ATOM 0 HB3 GLU A 100 -1.218 13.985 -7.883 1.00 4.42 H new ATOM 0 HG2 GLU A 100 0.623 14.693 -6.477 1.00 14.43 H new ATOM 0 HG3 GLU A 100 1.704 14.818 -7.850 1.00 14.43 H new ATOM 1687 N SER A 101 2.613 11.993 -9.070 1.00 73.45 N ATOM 1688 CA SER A 101 3.633 11.740 -10.075 1.00 32.22 C ATOM 1689 C SER A 101 3.596 10.282 -10.562 1.00 4.24 C ATOM 1690 O SER A 101 3.738 10.045 -11.763 1.00 0.10 O ATOM 1691 CB SER A 101 5.000 12.056 -9.471 1.00 51.21 C ATOM 1692 OG SER A 101 6.028 12.067 -10.440 1.00 54.23 O ATOM 0 H SER A 101 2.930 11.912 -8.104 1.00 73.45 H new ATOM 0 HA SER A 101 3.443 12.377 -10.939 1.00 32.22 H new ATOM 0 HB2 SER A 101 4.960 13.027 -8.977 1.00 51.21 H new ATOM 0 HB3 SER A 101 5.235 11.317 -8.705 1.00 51.21 H new ATOM 0 HG SER A 101 6.883 12.275 -10.008 1.00 54.23 H new ATOM 1698 N GLU A 102 3.329 9.308 -9.689 1.00 14.33 N ATOM 1699 CA GLU A 102 3.318 7.881 -10.022 1.00 12.14 C ATOM 1700 C GLU A 102 1.927 7.226 -10.063 1.00 52.34 C ATOM 1701 O GLU A 102 1.824 6.012 -10.242 1.00 52.45 O ATOM 1702 CB GLU A 102 4.288 7.176 -9.053 1.00 4.40 C ATOM 1703 CG GLU A 102 5.759 7.563 -9.303 1.00 51.02 C ATOM 1704 CD GLU A 102 6.242 7.187 -10.711 1.00 24.33 C ATOM 1705 OE1 GLU A 102 6.014 6.034 -11.143 1.00 51.15 O ATOM 1706 OE2 GLU A 102 6.857 8.051 -11.381 1.00 11.00 O ATOM 0 H GLU A 102 3.110 9.493 -8.710 1.00 14.33 H new ATOM 0 HA GLU A 102 3.651 7.768 -11.054 1.00 12.14 H new ATOM 0 HB2 GLU A 102 4.019 7.428 -8.027 1.00 4.40 H new ATOM 0 HB3 GLU A 102 4.177 6.096 -9.155 1.00 4.40 H new ATOM 0 HG2 GLU A 102 5.877 8.637 -9.158 1.00 51.02 H new ATOM 0 HG3 GLU A 102 6.390 7.070 -8.564 1.00 51.02 H new ATOM 1713 N LYS A 103 0.844 7.994 -9.930 1.00 13.33 N ATOM 1714 CA LYS A 103 -0.520 7.456 -9.968 1.00 40.32 C ATOM 1715 C LYS A 103 -0.837 6.806 -11.314 1.00 54.35 C ATOM 1716 O LYS A 103 -0.396 7.273 -12.371 1.00 43.42 O ATOM 1717 CB LYS A 103 -1.561 8.557 -9.671 1.00 52.25 C ATOM 1718 CG LYS A 103 -1.452 9.758 -10.630 1.00 64.33 C ATOM 1719 CD LYS A 103 -2.587 10.769 -10.453 1.00 31.42 C ATOM 1720 CE LYS A 103 -2.632 11.744 -11.634 1.00 0.23 C ATOM 1721 NZ LYS A 103 -1.504 12.693 -11.696 1.00 32.52 N ATOM 0 H LYS A 103 0.886 9.004 -9.793 1.00 13.33 H new ATOM 0 HA LYS A 103 -0.576 6.691 -9.194 1.00 40.32 H new ATOM 0 HB2 LYS A 103 -2.562 8.132 -9.741 1.00 52.25 H new ATOM 0 HB3 LYS A 103 -1.433 8.904 -8.646 1.00 52.25 H new ATOM 0 HG2 LYS A 103 -0.498 10.259 -10.469 1.00 64.33 H new ATOM 0 HG3 LYS A 103 -1.452 9.396 -11.658 1.00 64.33 H new ATOM 0 HD2 LYS A 103 -3.539 10.244 -10.372 1.00 31.42 H new ATOM 0 HD3 LYS A 103 -2.447 11.321 -9.524 1.00 31.42 H new ATOM 0 HE2 LYS A 103 -2.657 11.170 -12.560 1.00 0.23 H new ATOM 0 HE3 LYS A 103 -3.562 12.310 -11.585 1.00 0.23 H new ATOM 0 HZ1 LYS A 103 -1.258 12.875 -12.690 1.00 32.52 H new ATOM 0 HZ2 LYS A 103 -1.776 13.586 -11.238 1.00 32.52 H new ATOM 0 HZ3 LYS A 103 -0.682 12.288 -11.204 1.00 32.52 H new ATOM 1735 N ASP A 104 -1.643 5.749 -11.280 1.00 22.21 N ATOM 1736 CA ASP A 104 -2.080 5.050 -12.485 1.00 51.21 C ATOM 1737 C ASP A 104 -3.278 5.811 -13.052 1.00 4.31 C ATOM 1738 O ASP A 104 -3.840 6.672 -12.367 1.00 35.22 O ATOM 1739 CB ASP A 104 -2.615 3.663 -12.110 1.00 64.12 C ATOM 1740 CG ASP A 104 -2.554 2.692 -13.280 1.00 11.23 C ATOM 1741 OD1 ASP A 104 -1.457 2.174 -13.581 1.00 62.22 O ATOM 1742 OD2 ASP A 104 -3.620 2.380 -13.851 1.00 60.53 O ATOM 0 H ASP A 104 -2.012 5.352 -10.416 1.00 22.21 H new ATOM 0 HA ASP A 104 -1.247 4.978 -13.184 1.00 51.21 H new ATOM 0 HB2 ASP A 104 -2.036 3.264 -11.277 1.00 64.12 H new ATOM 0 HB3 ASP A 104 -3.646 3.753 -11.767 1.00 64.12 H new ATOM 1747 N GLU A 105 -3.740 5.480 -14.257 1.00 74.11 N ATOM 1748 CA GLU A 105 -4.927 6.119 -14.825 1.00 64.53 C ATOM 1749 C GLU A 105 -6.121 5.755 -13.929 1.00 40.43 C ATOM 1750 O GLU A 105 -7.064 6.539 -13.778 1.00 73.52 O ATOM 1751 CB GLU A 105 -5.173 5.579 -16.241 1.00 22.44 C ATOM 1752 CG GLU A 105 -6.533 5.956 -16.850 1.00 2.25 C ATOM 1753 CD GLU A 105 -6.639 7.404 -17.325 1.00 74.12 C ATOM 1754 OE1 GLU A 105 -6.200 8.342 -16.616 1.00 3.44 O ATOM 1755 OE2 GLU A 105 -7.144 7.604 -18.457 1.00 42.32 O ATOM 0 H GLU A 105 -3.312 4.775 -14.858 1.00 74.11 H new ATOM 0 HA GLU A 105 -4.794 7.200 -14.877 1.00 64.53 H new ATOM 0 HB2 GLU A 105 -4.383 5.946 -16.896 1.00 22.44 H new ATOM 0 HB3 GLU A 105 -5.090 4.492 -16.219 1.00 22.44 H new ATOM 0 HG2 GLU A 105 -6.734 5.295 -17.693 1.00 2.25 H new ATOM 0 HG3 GLU A 105 -7.311 5.773 -16.109 1.00 2.25 H new ATOM 1762 N ASP A 106 -6.072 4.574 -13.304 1.00 31.42 N ATOM 1763 CA ASP A 106 -7.146 4.100 -12.436 1.00 73.51 C ATOM 1764 C ASP A 106 -7.177 4.914 -11.141 1.00 51.43 C ATOM 1765 O ASP A 106 -8.184 4.907 -10.432 1.00 0.11 O ATOM 1766 CB ASP A 106 -6.958 2.624 -12.069 1.00 41.34 C ATOM 1767 CG ASP A 106 -6.801 1.690 -13.266 1.00 43.00 C ATOM 1768 OD1 ASP A 106 -7.114 2.059 -14.412 1.00 4.43 O ATOM 1769 OD2 ASP A 106 -6.315 0.555 -13.036 1.00 32.21 O ATOM 0 H ASP A 106 -5.289 3.925 -13.387 1.00 31.42 H new ATOM 0 HA ASP A 106 -8.081 4.219 -12.984 1.00 73.51 H new ATOM 0 HB2 ASP A 106 -6.078 2.530 -11.433 1.00 41.34 H new ATOM 0 HB3 ASP A 106 -7.814 2.297 -11.479 1.00 41.34 H new ATOM 1774 N GLY A 107 -6.079 5.610 -10.816 1.00 75.33 N ATOM 1775 CA GLY A 107 -5.919 6.437 -9.629 1.00 24.23 C ATOM 1776 C GLY A 107 -5.254 5.678 -8.480 1.00 32.23 C ATOM 1777 O GLY A 107 -5.025 6.262 -7.420 1.00 64.24 O ATOM 0 H GLY A 107 -5.246 5.607 -11.404 1.00 75.33 H new ATOM 0 HA2 GLY A 107 -5.321 7.314 -9.877 1.00 24.23 H new ATOM 0 HA3 GLY A 107 -6.895 6.799 -9.306 1.00 24.23 H new ATOM 1781 N PHE A 108 -4.988 4.381 -8.647 1.00 43.33 N ATOM 1782 CA PHE A 108 -4.337 3.558 -7.637 1.00 53.13 C ATOM 1783 C PHE A 108 -2.837 3.821 -7.679 1.00 73.25 C ATOM 1784 O PHE A 108 -2.298 4.076 -8.757 1.00 60.55 O ATOM 1785 CB PHE A 108 -4.580 2.064 -7.926 1.00 23.22 C ATOM 1786 CG PHE A 108 -5.365 1.379 -6.833 1.00 54.15 C ATOM 1787 CD1 PHE A 108 -4.838 1.295 -5.532 1.00 11.21 C ATOM 1788 CD2 PHE A 108 -6.651 0.886 -7.100 1.00 55.22 C ATOM 1789 CE1 PHE A 108 -5.609 0.746 -4.495 1.00 64.11 C ATOM 1790 CE2 PHE A 108 -7.438 0.386 -6.054 1.00 71.53 C ATOM 1791 CZ PHE A 108 -6.918 0.304 -4.751 1.00 52.04 C ATOM 0 H PHE A 108 -5.223 3.871 -9.498 1.00 43.33 H new ATOM 0 HA PHE A 108 -4.746 3.808 -6.658 1.00 53.13 H new ATOM 0 HB2 PHE A 108 -5.116 1.963 -8.870 1.00 23.22 H new ATOM 0 HB3 PHE A 108 -3.621 1.561 -8.048 1.00 23.22 H new ATOM 0 HD1 PHE A 108 -3.839 1.653 -5.330 1.00 11.21 H new ATOM 0 HD2 PHE A 108 -7.034 0.892 -8.110 1.00 55.22 H new ATOM 0 HE1 PHE A 108 -5.196 0.663 -3.501 1.00 64.11 H new ATOM 0 HE2 PHE A 108 -8.449 0.062 -6.250 1.00 71.53 H new ATOM 0 HZ PHE A 108 -7.522 -0.097 -3.950 1.00 52.04 H new ATOM 1801 N LEU A 109 -2.170 3.765 -6.524 1.00 20.43 N ATOM 1802 CA LEU A 109 -0.722 3.956 -6.458 1.00 4.02 C ATOM 1803 C LEU A 109 -0.080 2.593 -6.198 1.00 75.45 C ATOM 1804 O LEU A 109 -0.496 1.922 -5.251 1.00 31.12 O ATOM 1805 CB LEU A 109 -0.403 4.977 -5.361 1.00 23.30 C ATOM 1806 CG LEU A 109 0.954 5.691 -5.477 1.00 65.12 C ATOM 1807 CD1 LEU A 109 2.173 4.814 -5.185 1.00 72.21 C ATOM 1808 CD2 LEU A 109 1.155 6.403 -6.818 1.00 64.41 C ATOM 0 H LEU A 109 -2.611 3.589 -5.622 1.00 20.43 H new ATOM 0 HA LEU A 109 -0.320 4.351 -7.391 1.00 4.02 H new ATOM 0 HB2 LEU A 109 -1.189 5.732 -5.356 1.00 23.30 H new ATOM 0 HB3 LEU A 109 -0.443 4.469 -4.397 1.00 23.30 H new ATOM 0 HG LEU A 109 0.895 6.436 -4.684 1.00 65.12 H new ATOM 0 HD11 LEU A 109 3.082 5.406 -5.293 1.00 72.21 H new ATOM 0 HD12 LEU A 109 2.109 4.429 -4.167 1.00 72.21 H new ATOM 0 HD13 LEU A 109 2.198 3.981 -5.887 1.00 72.21 H new ATOM 0 HD21 LEU A 109 2.133 6.885 -6.831 1.00 64.41 H new ATOM 0 HD22 LEU A 109 1.098 5.676 -7.628 1.00 64.41 H new ATOM 0 HD23 LEU A 109 0.378 7.155 -6.951 1.00 64.41 H new ATOM 1820 N TYR A 110 0.889 2.148 -7.001 1.00 3.20 N ATOM 1821 CA TYR A 110 1.538 0.858 -6.781 1.00 64.52 C ATOM 1822 C TYR A 110 2.901 1.046 -6.123 1.00 52.32 C ATOM 1823 O TYR A 110 3.686 1.911 -6.512 1.00 23.30 O ATOM 1824 CB TYR A 110 1.706 0.084 -8.089 1.00 13.44 C ATOM 1825 CG TYR A 110 0.412 -0.306 -8.770 1.00 3.42 C ATOM 1826 CD1 TYR A 110 -0.385 -1.327 -8.218 1.00 1.11 C ATOM 1827 CD2 TYR A 110 0.019 0.332 -9.962 1.00 1.12 C ATOM 1828 CE1 TYR A 110 -1.572 -1.713 -8.861 1.00 33.12 C ATOM 1829 CE2 TYR A 110 -1.153 -0.071 -10.623 1.00 13.24 C ATOM 1830 CZ TYR A 110 -1.944 -1.105 -10.076 1.00 60.23 C ATOM 1831 OH TYR A 110 -3.070 -1.530 -10.703 1.00 40.42 O ATOM 0 H TYR A 110 1.240 2.663 -7.808 1.00 3.20 H new ATOM 0 HA TYR A 110 0.893 0.281 -6.118 1.00 64.52 H new ATOM 0 HB2 TYR A 110 2.295 0.689 -8.779 1.00 13.44 H new ATOM 0 HB3 TYR A 110 2.280 -0.820 -7.888 1.00 13.44 H new ATOM 0 HD1 TYR A 110 -0.084 -1.812 -7.301 1.00 1.11 H new ATOM 0 HD2 TYR A 110 0.619 1.132 -10.369 1.00 1.12 H new ATOM 0 HE1 TYR A 110 -2.200 -2.476 -8.424 1.00 33.12 H new ATOM 0 HE2 TYR A 110 -1.448 0.408 -11.545 1.00 13.24 H new ATOM 0 HH TYR A 110 -3.198 -1.017 -11.528 1.00 40.42 H new ATOM 1841 N MET A 111 3.220 0.189 -5.159 1.00 63.22 N ATOM 1842 CA MET A 111 4.468 0.190 -4.420 1.00 60.31 C ATOM 1843 C MET A 111 4.845 -1.262 -4.138 1.00 43.01 C ATOM 1844 O MET A 111 3.987 -2.115 -3.891 1.00 13.03 O ATOM 1845 CB MET A 111 4.298 0.975 -3.115 1.00 53.42 C ATOM 1846 CG MET A 111 4.735 2.429 -3.221 1.00 42.04 C ATOM 1847 SD MET A 111 4.514 3.298 -1.651 1.00 12.22 S ATOM 1848 CE MET A 111 5.104 4.931 -2.144 1.00 2.43 C ATOM 0 H MET A 111 2.587 -0.554 -4.862 1.00 63.22 H new ATOM 0 HA MET A 111 5.259 0.670 -4.996 1.00 60.31 H new ATOM 0 HB2 MET A 111 3.251 0.939 -2.812 1.00 53.42 H new ATOM 0 HB3 MET A 111 4.874 0.487 -2.329 1.00 53.42 H new ATOM 0 HG2 MET A 111 5.782 2.475 -3.520 1.00 42.04 H new ATOM 0 HG3 MET A 111 4.158 2.928 -4.000 1.00 42.04 H new ATOM 0 HE1 MET A 111 4.895 5.648 -1.350 1.00 2.43 H new ATOM 0 HE2 MET A 111 6.178 4.891 -2.323 1.00 2.43 H new ATOM 0 HE3 MET A 111 4.595 5.241 -3.057 1.00 2.43 H new ATOM 1858 N VAL A 112 6.137 -1.575 -4.179 1.00 51.01 N ATOM 1859 CA VAL A 112 6.643 -2.926 -3.936 1.00 34.33 C ATOM 1860 C VAL A 112 7.874 -2.841 -3.059 1.00 32.50 C ATOM 1861 O VAL A 112 8.546 -1.816 -3.074 1.00 60.25 O ATOM 1862 CB VAL A 112 6.892 -3.705 -5.244 1.00 74.25 C ATOM 1863 CG1 VAL A 112 5.572 -4.036 -5.954 1.00 3.12 C ATOM 1864 CG2 VAL A 112 7.802 -3.005 -6.241 1.00 12.42 C ATOM 0 H VAL A 112 6.869 -0.895 -4.383 1.00 51.01 H new ATOM 0 HA VAL A 112 5.881 -3.501 -3.409 1.00 34.33 H new ATOM 0 HB VAL A 112 7.403 -4.611 -4.917 1.00 74.25 H new ATOM 0 HG11 VAL A 112 5.780 -4.585 -6.872 1.00 3.12 H new ATOM 0 HG12 VAL A 112 4.950 -4.647 -5.299 1.00 3.12 H new ATOM 0 HG13 VAL A 112 5.047 -3.112 -6.195 1.00 3.12 H new ATOM 0 HG21 VAL A 112 7.918 -3.628 -7.128 1.00 12.42 H new ATOM 0 HG22 VAL A 112 7.363 -2.048 -6.525 1.00 12.42 H new ATOM 0 HG23 VAL A 112 8.778 -2.836 -5.786 1.00 12.42 H new ATOM 1874 N TYR A 113 8.171 -3.882 -2.294 1.00 75.14 N ATOM 1875 CA TYR A 113 9.335 -3.868 -1.407 1.00 52.05 C ATOM 1876 C TYR A 113 10.211 -5.106 -1.612 1.00 72.31 C ATOM 1877 O TYR A 113 9.712 -6.128 -2.091 1.00 24.13 O ATOM 1878 CB TYR A 113 8.833 -3.647 0.031 1.00 71.25 C ATOM 1879 CG TYR A 113 8.097 -4.806 0.674 1.00 32.54 C ATOM 1880 CD1 TYR A 113 6.764 -5.115 0.335 1.00 14.40 C ATOM 1881 CD2 TYR A 113 8.744 -5.556 1.666 1.00 15.21 C ATOM 1882 CE1 TYR A 113 6.131 -6.230 0.915 1.00 14.24 C ATOM 1883 CE2 TYR A 113 8.142 -6.690 2.221 1.00 23.50 C ATOM 1884 CZ TYR A 113 6.849 -7.058 1.809 1.00 42.05 C ATOM 1885 OH TYR A 113 6.303 -8.205 2.281 1.00 51.05 O ATOM 0 H TYR A 113 7.628 -4.745 -2.266 1.00 75.14 H new ATOM 0 HA TYR A 113 10.006 -3.043 -1.645 1.00 52.05 H new ATOM 0 HB2 TYR A 113 9.689 -3.397 0.657 1.00 71.25 H new ATOM 0 HB3 TYR A 113 8.173 -2.780 0.033 1.00 71.25 H new ATOM 0 HD1 TYR A 113 6.229 -4.496 -0.370 1.00 14.40 H new ATOM 0 HD2 TYR A 113 9.723 -5.253 2.007 1.00 15.21 H new ATOM 0 HE1 TYR A 113 5.101 -6.453 0.678 1.00 14.24 H new ATOM 0 HE2 TYR A 113 8.666 -7.278 2.960 1.00 23.50 H new ATOM 0 HH TYR A 113 7.002 -8.754 2.694 1.00 51.05 H new ATOM 1895 N ALA A 114 11.529 -4.961 -1.419 1.00 0.42 N ATOM 1896 CA ALA A 114 12.523 -6.039 -1.534 1.00 54.32 C ATOM 1897 C ALA A 114 13.855 -5.628 -0.889 1.00 4.30 C ATOM 1898 O ALA A 114 14.196 -4.438 -0.846 1.00 42.04 O ATOM 1899 CB ALA A 114 12.830 -6.309 -3.013 1.00 34.22 C ATOM 0 H ALA A 114 11.946 -4.064 -1.171 1.00 0.42 H new ATOM 0 HA ALA A 114 12.107 -6.916 -1.039 1.00 54.32 H new ATOM 0 HB1 ALA A 114 13.567 -7.108 -3.092 1.00 34.22 H new ATOM 0 HB2 ALA A 114 11.915 -6.607 -3.526 1.00 34.22 H new ATOM 0 HB3 ALA A 114 13.226 -5.404 -3.474 1.00 34.22 H new ATOM 1905 N SER A 115 14.671 -6.598 -0.444 1.00 31.50 N ATOM 1906 CA SER A 115 15.971 -6.263 0.118 1.00 41.01 C ATOM 1907 C SER A 115 16.965 -6.199 -1.047 1.00 34.10 C ATOM 1908 O SER A 115 17.742 -7.141 -1.266 1.00 40.23 O ATOM 1909 CB SER A 115 16.429 -7.284 1.161 1.00 72.54 C ATOM 1910 OG SER A 115 17.665 -6.896 1.714 1.00 42.22 O ATOM 0 H SER A 115 14.453 -7.594 -0.465 1.00 31.50 H new ATOM 0 HA SER A 115 15.910 -5.306 0.637 1.00 41.01 H new ATOM 0 HB2 SER A 115 15.681 -7.370 1.949 1.00 72.54 H new ATOM 0 HB3 SER A 115 16.521 -8.268 0.701 1.00 72.54 H new ATOM 0 HG SER A 115 17.519 -6.189 2.377 1.00 42.22 H new ATOM 1916 N GLN A 116 16.955 -5.105 -1.806 1.00 34.33 N ATOM 1917 CA GLN A 116 17.865 -4.886 -2.914 1.00 64.51 C ATOM 1918 C GLN A 116 17.730 -3.437 -3.340 1.00 74.11 C ATOM 1919 O GLN A 116 16.617 -2.934 -3.511 1.00 61.54 O ATOM 1920 CB GLN A 116 17.616 -5.852 -4.087 1.00 4.34 C ATOM 1921 CG GLN A 116 18.972 -6.249 -4.680 1.00 43.01 C ATOM 1922 CD GLN A 116 18.864 -7.502 -5.526 1.00 21.21 C ATOM 1923 OE1 GLN A 116 19.055 -8.600 -5.000 1.00 44.02 O ATOM 1924 NE2 GLN A 116 18.556 -7.395 -6.802 1.00 35.44 N ATOM 0 H GLN A 116 16.301 -4.336 -1.661 1.00 34.33 H new ATOM 0 HA GLN A 116 18.885 -5.092 -2.590 1.00 64.51 H new ATOM 0 HB2 GLN A 116 17.079 -6.736 -3.743 1.00 4.34 H new ATOM 0 HB3 GLN A 116 16.995 -5.376 -4.846 1.00 4.34 H new ATOM 0 HG2 GLN A 116 19.358 -5.431 -5.288 1.00 43.01 H new ATOM 0 HG3 GLN A 116 19.688 -6.413 -3.875 1.00 43.01 H new ATOM 0 HE21 GLN A 116 18.403 -6.475 -7.214 1.00 35.44 H new ATOM 0 HE22 GLN A 116 18.471 -8.232 -7.378 1.00 35.44 H new ATOM 1933 N GLU A 117 18.861 -2.764 -3.508 1.00 31.44 N ATOM 1934 CA GLU A 117 18.871 -1.368 -3.895 1.00 64.12 C ATOM 1935 C GLU A 117 18.587 -1.184 -5.386 1.00 31.14 C ATOM 1936 O GLU A 117 18.126 -0.116 -5.790 1.00 54.35 O ATOM 1937 CB GLU A 117 20.222 -0.765 -3.504 1.00 64.13 C ATOM 1938 CG GLU A 117 20.176 0.761 -3.624 1.00 75.51 C ATOM 1939 CD GLU A 117 21.200 1.442 -2.721 1.00 44.31 C ATOM 1940 OE1 GLU A 117 22.368 1.004 -2.700 1.00 24.34 O ATOM 1941 OE2 GLU A 117 20.832 2.374 -1.968 1.00 72.23 O ATOM 0 H GLU A 117 19.788 -3.170 -3.380 1.00 31.44 H new ATOM 0 HA GLU A 117 18.070 -0.847 -3.370 1.00 64.12 H new ATOM 0 HB2 GLU A 117 20.473 -1.049 -2.482 1.00 64.13 H new ATOM 0 HB3 GLU A 117 21.006 -1.164 -4.147 1.00 64.13 H new ATOM 0 HG2 GLU A 117 20.360 1.048 -4.659 1.00 75.51 H new ATOM 0 HG3 GLU A 117 19.177 1.114 -3.368 1.00 75.51 H new ATOM 1948 N THR A 118 18.799 -2.219 -6.193 1.00 31.11 N ATOM 1949 CA THR A 118 18.604 -2.225 -7.631 1.00 63.13 C ATOM 1950 C THR A 118 18.103 -3.613 -8.050 1.00 13.34 C ATOM 1951 O THR A 118 18.370 -4.600 -7.356 1.00 4.31 O ATOM 1952 CB THR A 118 19.973 -1.853 -8.241 1.00 31.14 C ATOM 1953 OG1 THR A 118 19.914 -1.638 -9.635 1.00 64.43 O ATOM 1954 CG2 THR A 118 21.049 -2.912 -7.958 1.00 15.44 C ATOM 0 H THR A 118 19.127 -3.118 -5.840 1.00 31.11 H new ATOM 0 HA THR A 118 17.855 -1.513 -7.979 1.00 63.13 H new ATOM 0 HB THR A 118 20.247 -0.919 -7.751 1.00 31.14 H new ATOM 0 HG1 THR A 118 20.806 -1.404 -9.968 1.00 64.43 H new ATOM 0 HG21 THR A 118 21.992 -2.602 -8.408 1.00 15.44 H new ATOM 0 HG22 THR A 118 21.179 -3.020 -6.881 1.00 15.44 H new ATOM 0 HG23 THR A 118 20.740 -3.867 -8.383 1.00 15.44 H new ATOM 1962 N PHE A 119 17.327 -3.698 -9.128 1.00 72.41 N ATOM 1963 CA PHE A 119 16.806 -4.956 -9.642 1.00 60.55 C ATOM 1964 C PHE A 119 17.712 -5.360 -10.789 1.00 23.33 C ATOM 1965 O PHE A 119 18.341 -6.434 -10.702 1.00 42.41 O ATOM 1966 CB PHE A 119 15.324 -4.837 -10.038 1.00 74.12 C ATOM 1967 CG PHE A 119 14.287 -4.805 -8.914 1.00 64.11 C ATOM 1968 CD1 PHE A 119 14.644 -4.816 -7.547 1.00 31.14 C ATOM 1969 CD2 PHE A 119 12.920 -4.783 -9.252 1.00 52.14 C ATOM 1970 CE1 PHE A 119 13.653 -4.812 -6.547 1.00 52.45 C ATOM 1971 CE2 PHE A 119 11.932 -4.767 -8.251 1.00 55.32 C ATOM 1972 CZ PHE A 119 12.290 -4.796 -6.893 1.00 43.22 C ATOM 0 H PHE A 119 17.041 -2.885 -9.673 1.00 72.41 H new ATOM 0 HA PHE A 119 16.815 -5.735 -8.880 1.00 60.55 H new ATOM 0 HB2 PHE A 119 15.207 -3.928 -10.628 1.00 74.12 H new ATOM 0 HB3 PHE A 119 15.084 -5.675 -10.692 1.00 74.12 H new ATOM 0 HD1 PHE A 119 15.687 -4.828 -7.267 1.00 31.14 H new ATOM 0 HD2 PHE A 119 12.627 -4.778 -10.291 1.00 52.14 H new ATOM 0 HE1 PHE A 119 13.942 -4.821 -5.506 1.00 52.45 H new ATOM 0 HE2 PHE A 119 10.889 -4.732 -8.529 1.00 55.32 H new ATOM 0 HZ PHE A 119 11.530 -4.806 -6.126 1.00 43.22 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -25.483 -7.402 11.819 1.00 5.52 N ATOM 1984 CA ASN B 169 -25.286 -6.227 10.947 1.00 74.21 C ATOM 1985 C ASN B 169 -25.032 -4.966 11.745 1.00 65.42 C ATOM 1986 O ASN B 169 -24.308 -4.096 11.268 1.00 24.12 O ATOM 1987 CB ASN B 169 -26.448 -5.997 9.976 1.00 5.42 C ATOM 1988 CG ASN B 169 -26.728 -7.271 9.208 1.00 33.05 C ATOM 1989 OD1 ASN B 169 -27.785 -7.870 9.371 1.00 61.22 O ATOM 1990 ND2 ASN B 169 -25.761 -7.739 8.439 1.00 1.55 N ATOM 0 HA ASN B 169 -24.400 -6.456 10.355 1.00 74.21 H new ATOM 0 HB2 ASN B 169 -27.338 -5.688 10.525 1.00 5.42 H new ATOM 0 HB3 ASN B 169 -26.203 -5.190 9.285 1.00 5.42 H new ATOM 0 HD21 ASN B 169 -25.880 -8.629 7.955 1.00 1.55 H new ATOM 0 HD22 ASN B 169 -24.896 -7.210 8.329 1.00 1.55 H new HETATM 1997 N SEP B 170 -25.678 -4.781 12.896 1.00 71.20 N HETATM 1998 CA SEP B 170 -25.490 -3.610 13.735 1.00 1.13 C HETATM 1999 CB SEP B 170 -26.536 -3.592 14.857 1.00 11.33 C HETATM 2000 OG SEP B 170 -27.780 -4.056 14.348 1.00 70.03 O HETATM 2001 C SEP B 170 -24.041 -3.602 14.224 1.00 41.12 C HETATM 2002 O SEP B 170 -23.453 -2.529 14.333 1.00 30.15 O HETATM 2003 P SEP B 170 -29.174 -3.453 14.858 1.00 24.41 P HETATM 2004 O1P SEP B 170 -29.028 -3.377 16.327 1.00 14.24 O HETATM 2005 O2P SEP B 170 -29.247 -2.157 14.155 1.00 34.31 O HETATM 2006 O3P SEP B 170 -30.105 -4.495 14.378 1.00 34.33 O HETATM 0 HB3 SEP B 170 -26.210 -4.223 15.684 1.00 11.33 H new HETATM 0 HB2 SEP B 170 -26.646 -2.582 15.251 1.00 11.33 H new HETATM 0 HA SEP B 170 -25.650 -2.685 13.180 1.00 1.13 H new HETATM 0 H SEP B 170 -26.427 -5.442 13.103 1.00 71.20 H new HETATM 2011 N SEP B 171 -23.518 -4.733 14.704 1.00 1.31 N HETATM 2012 CA SEP B 171 -22.140 -4.849 15.153 1.00 11.13 C HETATM 2013 CB SEP B 171 -22.087 -4.994 16.673 1.00 33.15 C HETATM 2014 OG SEP B 171 -22.661 -6.200 17.143 1.00 3.52 O HETATM 2015 C SEP B 171 -21.450 -5.947 14.339 1.00 10.33 C HETATM 2016 O SEP B 171 -22.023 -7.021 14.118 1.00 10.53 O HETATM 2017 P SEP B 171 -22.789 -6.511 18.706 1.00 5.23 P HETATM 2018 O1P SEP B 171 -22.768 -7.988 18.720 1.00 71.41 O HETATM 2019 O2P SEP B 171 -21.608 -5.849 19.313 1.00 50.20 O HETATM 2020 O3P SEP B 171 -24.089 -5.909 19.065 1.00 42.32 O HETATM 0 HB3 SEP B 171 -21.048 -4.943 16.999 1.00 33.15 H new HETATM 0 HB2 SEP B 171 -22.606 -4.151 17.129 1.00 33.15 H new HETATM 0 HA SEP B 171 -21.567 -3.942 14.962 1.00 11.13 H new ATOM 2025 N GLY B 172 -20.242 -5.685 13.852 1.00 41.52 N ATOM 2026 CA GLY B 172 -19.444 -6.604 13.056 1.00 22.14 C ATOM 2027 C GLY B 172 -18.161 -5.908 12.630 1.00 73.23 C ATOM 2028 O GLY B 172 -18.044 -4.697 12.832 1.00 1.34 O ATOM 0 H GLY B 172 -19.776 -4.791 14.008 1.00 41.52 H new ATOM 0 HA2 GLY B 172 -19.212 -7.499 13.634 1.00 22.14 H new ATOM 0 HA3 GLY B 172 -20.005 -6.927 12.179 1.00 22.14 H new HETATM 2032 N SEP B 173 -17.237 -6.660 12.029 1.00 25.13 N HETATM 2033 CA SEP B 173 -15.956 -6.164 11.549 1.00 71.24 C HETATM 2034 CB SEP B 173 -15.191 -7.285 10.823 1.00 74.21 C HETATM 2035 OG SEP B 173 -16.039 -8.082 9.995 1.00 22.13 O HETATM 2036 C SEP B 173 -16.170 -4.926 10.672 1.00 70.03 C HETATM 2037 O SEP B 173 -16.736 -5.025 9.577 1.00 63.33 O HETATM 2038 P SEP B 173 -15.470 -9.341 9.188 1.00 50.30 P HETATM 2039 O1P SEP B 173 -16.592 -9.697 8.300 1.00 1.25 O HETATM 2040 O2P SEP B 173 -14.278 -8.818 8.494 1.00 62.52 O HETATM 2041 O3P SEP B 173 -15.192 -10.332 10.243 1.00 50.52 O HETATM 0 HB3 SEP B 173 -14.403 -6.845 10.212 1.00 74.21 H new HETATM 0 HB2 SEP B 173 -14.704 -7.924 11.560 1.00 74.21 H new HETATM 0 HA SEP B 173 -15.338 -5.856 12.392 1.00 71.24 H new HETATM 0 H SEP B 173 -17.504 -7.630 11.860 1.00 25.13 H new HETATM 2046 N SEP B 174 -15.689 -3.781 11.158 1.00 62.11 N HETATM 2047 CA SEP B 174 -15.761 -2.466 10.542 1.00 2.21 C HETATM 2048 CB SEP B 174 -14.825 -1.538 11.331 1.00 14.11 C HETATM 2049 OG SEP B 174 -14.796 -0.198 10.875 1.00 4.11 O HETATM 2050 C SEP B 174 -15.422 -2.535 9.054 1.00 23.41 C HETATM 2051 O SEP B 174 -16.257 -2.193 8.219 1.00 21.11 O HETATM 2052 P SEP B 174 -13.735 0.840 11.481 1.00 53.43 P HETATM 2053 O1P SEP B 174 -14.274 2.157 11.090 1.00 30.32 O HETATM 2054 O2P SEP B 174 -13.744 0.584 12.934 1.00 11.05 O HETATM 2055 O3P SEP B 174 -12.456 0.479 10.823 1.00 42.00 O HETATM 0 HB3 SEP B 174 -15.128 -1.544 12.378 1.00 14.11 H new HETATM 0 HB2 SEP B 174 -13.814 -1.943 11.289 1.00 14.11 H new HETATM 0 HA SEP B 174 -16.775 -2.068 10.584 1.00 2.21 H new HETATM 0 H SEP B 174 -15.086 -3.933 11.967 1.00 62.11 H new ATOM 2060 N GLU B 175 -14.198 -2.957 8.738 1.00 2.01 N ATOM 2061 CA GLU B 175 -13.676 -3.102 7.391 1.00 5.32 C ATOM 2062 C GLU B 175 -12.572 -4.153 7.433 1.00 45.44 C ATOM 2063 O GLU B 175 -11.894 -4.286 8.457 1.00 62.32 O ATOM 2064 CB GLU B 175 -13.068 -1.763 6.918 1.00 21.55 C ATOM 2065 CG GLU B 175 -13.975 -0.948 5.987 1.00 62.22 C ATOM 2066 CD GLU B 175 -14.243 -1.632 4.642 1.00 62.30 C ATOM 2067 OE1 GLU B 175 -13.740 -2.754 4.395 1.00 42.33 O ATOM 2068 OE2 GLU B 175 -14.923 -1.003 3.799 1.00 71.03 O ATOM 0 H GLU B 175 -13.517 -3.217 9.451 1.00 2.01 H new ATOM 0 HA GLU B 175 -14.474 -3.394 6.708 1.00 5.32 H new ATOM 0 HB2 GLU B 175 -12.828 -1.158 7.792 1.00 21.55 H new ATOM 0 HB3 GLU B 175 -12.129 -1.966 6.404 1.00 21.55 H new ATOM 0 HG2 GLU B 175 -14.925 -0.764 6.488 1.00 62.22 H new ATOM 0 HG3 GLU B 175 -13.517 0.024 5.806 1.00 62.22 H new ATOM 2075 N ASP B 176 -12.379 -4.916 6.358 1.00 44.01 N ATOM 2076 CA ASP B 176 -11.318 -5.929 6.279 1.00 61.50 C ATOM 2077 C ASP B 176 -10.789 -5.949 4.845 1.00 5.04 C ATOM 2078 O ASP B 176 -10.679 -6.987 4.197 1.00 64.41 O ATOM 2079 CB ASP B 176 -11.802 -7.289 6.795 1.00 74.10 C ATOM 2080 CG ASP B 176 -10.613 -8.084 7.320 1.00 14.24 C ATOM 2081 OD1 ASP B 176 -10.255 -7.871 8.502 1.00 4.05 O ATOM 2082 OD2 ASP B 176 -9.989 -8.880 6.580 1.00 11.44 O ATOM 0 H ASP B 176 -12.951 -4.852 5.516 1.00 44.01 H new ATOM 0 HA ASP B 176 -10.487 -5.676 6.937 1.00 61.50 H new ATOM 0 HB2 ASP B 176 -12.538 -7.149 7.587 1.00 74.10 H new ATOM 0 HB3 ASP B 176 -12.296 -7.839 5.994 1.00 74.10 H new HETATM 2087 N SEP B 177 -10.416 -4.769 4.350 1.00 33.35 N HETATM 2088 CA SEP B 177 -9.937 -4.555 2.995 1.00 43.14 C HETATM 2089 CB SEP B 177 -11.150 -3.982 2.240 1.00 64.53 C HETATM 2090 OG SEP B 177 -11.897 -5.037 1.633 1.00 44.40 O HETATM 2091 C SEP B 177 -8.612 -3.772 3.006 1.00 2.41 C HETATM 2092 O SEP B 177 -7.564 -4.426 2.877 1.00 41.40 O HETATM 2093 P SEP B 177 -11.667 -5.470 0.100 1.00 13.05 P HETATM 2094 O1P SEP B 177 -12.139 -4.302 -0.660 1.00 33.23 O HETATM 2095 O2P SEP B 177 -10.225 -5.771 -0.033 1.00 55.22 O HETATM 2096 O3P SEP B 177 -12.531 -6.656 -0.055 1.00 31.12 O HETATM 0 HB3 SEP B 177 -11.786 -3.426 2.928 1.00 64.53 H new HETATM 0 HB2 SEP B 177 -10.814 -3.279 1.478 1.00 64.53 H new HETATM 0 HA SEP B 177 -9.625 -5.446 2.450 1.00 43.14 H new ATOM 2101 N PHE B 178 -8.589 -2.435 3.090 1.00 14.24 N ATOM 2102 CA PHE B 178 -7.328 -1.684 3.138 1.00 1.12 C ATOM 2103 C PHE B 178 -6.885 -1.603 4.608 1.00 3.32 C ATOM 2104 O PHE B 178 -7.652 -1.950 5.510 1.00 1.41 O ATOM 2105 CB PHE B 178 -7.462 -0.235 2.617 1.00 72.23 C ATOM 2106 CG PHE B 178 -7.829 0.039 1.174 1.00 65.54 C ATOM 2107 CD1 PHE B 178 -9.181 0.047 0.804 1.00 53.12 C ATOM 2108 CD2 PHE B 178 -6.860 0.497 0.254 1.00 74.10 C ATOM 2109 CE1 PHE B 178 -9.543 0.386 -0.509 1.00 64.52 C ATOM 2110 CE2 PHE B 178 -7.225 0.846 -1.058 1.00 65.53 C ATOM 2111 CZ PHE B 178 -8.567 0.771 -1.443 1.00 14.41 C ATOM 0 H PHE B 178 -9.426 -1.853 3.126 1.00 14.24 H new ATOM 0 HA PHE B 178 -6.613 -2.205 2.500 1.00 1.12 H new ATOM 0 HB2 PHE B 178 -8.209 0.260 3.237 1.00 72.23 H new ATOM 0 HB3 PHE B 178 -6.511 0.262 2.805 1.00 72.23 H new ATOM 0 HD1 PHE B 178 -9.942 -0.207 1.527 1.00 53.12 H new ATOM 0 HD2 PHE B 178 -5.828 0.580 0.562 1.00 74.10 H new ATOM 0 HE1 PHE B 178 -10.581 0.351 -0.804 1.00 64.52 H new ATOM 0 HE2 PHE B 178 -6.474 1.170 -1.764 1.00 65.53 H new ATOM 0 HZ PHE B 178 -8.853 1.009 -2.457 1.00 14.41 H new ATOM 2121 N VAL B 179 -5.660 -1.133 4.862 1.00 70.11 N ATOM 2122 CA VAL B 179 -5.124 -0.958 6.204 1.00 65.33 C ATOM 2123 C VAL B 179 -4.544 0.461 6.299 1.00 1.23 C ATOM 2124 O VAL B 179 -3.543 0.811 5.665 1.00 25.14 O ATOM 2125 CB VAL B 179 -4.221 -2.148 6.593 1.00 52.14 C ATOM 2126 CG1 VAL B 179 -2.827 -2.162 5.961 1.00 24.41 C ATOM 2127 CG2 VAL B 179 -4.102 -2.258 8.114 1.00 4.13 C ATOM 0 H VAL B 179 -5.008 -0.861 4.126 1.00 70.11 H new ATOM 0 HA VAL B 179 -5.885 -1.000 6.983 1.00 65.33 H new ATOM 0 HB VAL B 179 -4.730 -3.018 6.178 1.00 52.14 H new ATOM 0 HG11 VAL B 179 -2.281 -3.041 6.304 1.00 24.41 H new ATOM 0 HG12 VAL B 179 -2.920 -2.193 4.875 1.00 24.41 H new ATOM 0 HG13 VAL B 179 -2.286 -1.262 6.253 1.00 24.41 H new ATOM 0 HG21 VAL B 179 -3.462 -3.103 8.369 1.00 4.13 H new ATOM 0 HG22 VAL B 179 -3.668 -1.341 8.512 1.00 4.13 H new ATOM 0 HG23 VAL B 179 -5.091 -2.409 8.546 1.00 4.13 H new ATOM 2137 N GLU B 180 -5.204 1.335 7.056 1.00 12.33 N ATOM 2138 CA GLU B 180 -4.771 2.721 7.229 1.00 43.12 C ATOM 2139 C GLU B 180 -3.478 2.771 8.039 1.00 63.12 C ATOM 2140 O GLU B 180 -3.220 1.900 8.881 1.00 11.01 O ATOM 2141 CB GLU B 180 -5.790 3.639 7.953 1.00 51.03 C ATOM 2142 CG GLU B 180 -7.275 3.261 7.971 1.00 1.12 C ATOM 2143 CD GLU B 180 -7.528 1.931 8.683 1.00 71.54 C ATOM 2144 OE1 GLU B 180 -7.094 1.795 9.849 1.00 33.54 O ATOM 2145 OE2 GLU B 180 -7.996 0.981 8.013 1.00 64.10 O ATOM 0 H GLU B 180 -6.055 1.102 7.568 1.00 12.33 H new ATOM 0 HA GLU B 180 -4.648 3.095 6.212 1.00 43.12 H new ATOM 0 HB2 GLU B 180 -5.465 3.732 8.989 1.00 51.03 H new ATOM 0 HB3 GLU B 180 -5.712 4.629 7.505 1.00 51.03 H new ATOM 0 HG2 GLU B 180 -7.842 4.049 8.466 1.00 1.12 H new ATOM 0 HG3 GLU B 180 -7.644 3.198 6.947 1.00 1.12 H new ATOM 2152 N ILE B 181 -2.690 3.830 7.849 1.00 25.13 N ATOM 2153 CA ILE B 181 -1.454 4.001 8.607 1.00 65.52 C ATOM 2154 C ILE B 181 -1.846 4.498 10.010 1.00 41.23 C ATOM 2155 O ILE B 181 -2.967 4.957 10.240 1.00 50.12 O ATOM 2156 CB ILE B 181 -0.475 4.903 7.809 1.00 72.14 C ATOM 2157 CG1 ILE B 181 0.415 3.947 6.980 1.00 53.24 C ATOM 2158 CG2 ILE B 181 0.343 5.899 8.653 1.00 51.15 C ATOM 2159 CD1 ILE B 181 1.652 4.596 6.368 1.00 4.32 C ATOM 0 H ILE B 181 -2.885 4.576 7.181 1.00 25.13 H new ATOM 0 HA ILE B 181 -0.900 3.074 8.751 1.00 65.52 H new ATOM 0 HB ILE B 181 -1.051 5.573 7.171 1.00 72.14 H new ATOM 0 HG12 ILE B 181 0.733 3.123 7.619 1.00 53.24 H new ATOM 0 HG13 ILE B 181 -0.186 3.516 6.179 1.00 53.24 H new ATOM 0 HG21 ILE B 181 0.995 6.480 8.000 1.00 51.15 H new ATOM 0 HG22 ILE B 181 -0.334 6.571 9.181 1.00 51.15 H new ATOM 0 HG23 ILE B 181 0.948 5.352 9.376 1.00 51.15 H new ATOM 0 HD11 ILE B 181 2.214 3.850 5.806 1.00 4.32 H new ATOM 0 HD12 ILE B 181 1.347 5.401 5.699 1.00 4.32 H new ATOM 0 HD13 ILE B 181 2.280 5.002 7.161 1.00 4.32 H new ATOM 2171 N ARG B 182 -0.949 4.329 10.984 1.00 63.44 N ATOM 2172 CA ARG B 182 -1.158 4.719 12.375 1.00 3.30 C ATOM 2173 C ARG B 182 -0.554 6.096 12.607 1.00 73.22 C ATOM 2174 O ARG B 182 0.666 6.255 12.536 1.00 1.24 O ATOM 2175 CB ARG B 182 -0.597 3.634 13.314 1.00 21.33 C ATOM 2176 CG ARG B 182 -1.149 2.210 13.063 1.00 44.44 C ATOM 2177 CD ARG B 182 -2.651 2.005 13.330 1.00 70.31 C ATOM 2178 NE ARG B 182 -3.523 2.743 12.392 1.00 33.23 N ATOM 2179 CZ ARG B 182 -4.682 3.336 12.709 1.00 44.22 C ATOM 2180 NH1 ARG B 182 -5.298 3.028 13.838 1.00 13.43 N ATOM 2181 NH2 ARG B 182 -5.194 4.268 11.915 1.00 3.31 N ATOM 0 H ARG B 182 -0.035 3.906 10.820 1.00 63.44 H new ATOM 0 HA ARG B 182 -2.222 4.797 12.600 1.00 3.30 H new ATOM 0 HB2 ARG B 182 0.488 3.611 13.212 1.00 21.33 H new ATOM 0 HB3 ARG B 182 -0.815 3.917 14.344 1.00 21.33 H new ATOM 0 HG2 ARG B 182 -0.946 1.942 12.026 1.00 44.44 H new ATOM 0 HG3 ARG B 182 -0.592 1.512 13.688 1.00 44.44 H new ATOM 0 HD2 ARG B 182 -2.881 0.941 13.267 1.00 70.31 H new ATOM 0 HD3 ARG B 182 -2.877 2.320 14.349 1.00 70.31 H new ATOM 0 HE ARG B 182 -3.217 2.806 11.421 1.00 33.23 H new ATOM 0 HH11 ARG B 182 -4.891 2.338 14.469 1.00 13.43 H new ATOM 0 HH12 ARG B 182 -6.180 3.481 14.078 1.00 13.43 H new ATOM 0 HH21 ARG B 182 -4.705 4.535 11.061 1.00 3.31 H new ATOM 0 HH22 ARG B 182 -6.076 4.717 12.159 1.00 3.31 H new ATOM 2195 N MET B 183 -1.423 7.085 12.787 1.00 12.32 N ATOM 2196 CA MET B 183 -1.166 8.500 13.032 1.00 45.11 C ATOM 2197 C MET B 183 -2.525 9.138 13.358 1.00 52.22 C ATOM 2198 O MET B 183 -3.498 8.408 13.586 1.00 11.31 O ATOM 2199 CB MET B 183 -0.454 9.148 11.824 1.00 23.50 C ATOM 2200 CG MET B 183 -1.144 8.999 10.462 1.00 44.42 C ATOM 2201 SD MET B 183 -2.505 10.142 10.121 1.00 70.23 S ATOM 2202 CE MET B 183 -3.915 9.011 10.092 1.00 13.22 C ATOM 0 H MET B 183 -2.425 6.897 12.762 1.00 12.32 H new ATOM 0 HA MET B 183 -0.485 8.653 13.869 1.00 45.11 H new ATOM 0 HB2 MET B 183 -0.332 10.211 12.030 1.00 23.50 H new ATOM 0 HB3 MET B 183 0.546 8.721 11.748 1.00 23.50 H new ATOM 0 HG2 MET B 183 -0.392 9.121 9.683 1.00 44.42 H new ATOM 0 HG3 MET B 183 -1.524 7.981 10.381 1.00 44.42 H new ATOM 0 HE1 MET B 183 -4.766 9.503 9.621 1.00 13.22 H new ATOM 0 HE2 MET B 183 -3.653 8.118 9.525 1.00 13.22 H new ATOM 0 HE3 MET B 183 -4.177 8.730 11.112 1.00 13.22 H new ATOM 2212 N ALA B 184 -2.599 10.466 13.434 1.00 65.52 N ATOM 2213 CA ALA B 184 -3.810 11.226 13.712 1.00 24.20 C ATOM 2214 C ALA B 184 -3.811 12.491 12.856 1.00 51.43 C ATOM 2215 O ALA B 184 -2.872 12.740 12.094 1.00 52.32 O ATOM 2216 CB ALA B 184 -3.860 11.596 15.193 1.00 1.24 C ATOM 0 H ALA B 184 -1.783 11.063 13.298 1.00 65.52 H new ATOM 0 HA ALA B 184 -4.686 10.624 13.472 1.00 24.20 H new ATOM 0 HB1 ALA B 184 -4.768 12.164 15.396 1.00 1.24 H new ATOM 0 HB2 ALA B 184 -3.859 10.687 15.795 1.00 1.24 H new ATOM 0 HB3 ALA B 184 -2.989 12.201 15.447 1.00 1.24 H new ATOM 2222 N GLU B 185 -4.853 13.303 12.996 1.00 41.44 N ATOM 2223 CA GLU B 185 -5.045 14.549 12.290 1.00 54.35 C ATOM 2224 C GLU B 185 -5.516 15.579 13.303 1.00 25.54 C ATOM 2225 O GLU B 185 -6.604 15.375 13.892 1.00 71.23 O ATOM 2226 CB GLU B 185 -6.048 14.318 11.150 1.00 4.21 C ATOM 2227 CG GLU B 185 -5.760 15.186 9.928 1.00 51.44 C ATOM 2228 CD GLU B 185 -5.923 16.691 10.167 1.00 31.34 C ATOM 2229 OE1 GLU B 185 -7.055 17.120 10.497 1.00 13.14 O ATOM 2230 OE2 GLU B 185 -4.922 17.420 9.996 1.00 1.24 O ATOM 0 H GLU B 185 -5.619 13.094 13.637 1.00 41.44 H new ATOM 0 HA GLU B 185 -4.127 14.919 11.833 1.00 54.35 H new ATOM 0 HB2 GLU B 185 -6.025 13.268 10.858 1.00 4.21 H new ATOM 0 HB3 GLU B 185 -7.055 14.527 11.510 1.00 4.21 H new ATOM 0 HG2 GLU B 185 -4.741 14.992 9.592 1.00 51.44 H new ATOM 0 HG3 GLU B 185 -6.425 14.885 9.119 1.00 51.44 H new TER 2237 GLU B 185