USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=35 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 174 SEP H : B 174 SEP N : B 173 SEP C :(H bumps) USER MOD NoAdj-H: B 177 SEP H2 : B 177 SEP N : B 176 ASP C :(H bumps) USER MOD Set 1.1: A 60 MET CE :methyl 172:sc= -0.191 (180deg=-0.244) USER MOD Set 1.2: A 111 MET CE :methyl 163:sc= -0.0201 (180deg=-0.314) USER MOD Set 2.1: A 74 ASN : amide:sc= -0.144 K(o=-0.84,f=-1.5!) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.695 F(o=-1.5,f=-0.84) USER MOD Set 3.1: A 43 GLN : amide:sc= -1.69 K(o=-1.6,f=-2.2!) USER MOD Set 3.2: A 115 SER OG : rot 71:sc= 0.0969 USER MOD Set 4.1: A 8 LYS NZ :NH3+ 168:sc= 1 (180deg=0.112) USER MOD Set 4.2: A 110 TYR OH : rot 30:sc= 0.845 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.02 (180deg=0) USER MOD Single : A 3 MET CE :methyl 172:sc= 0 (180deg=-0.053) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0227 USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 26 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.5!) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.307 F(o=-1,f=-0.31) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.367) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.332) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -0.146 (180deg=-1.21) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0359 (180deg=-0.338) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.1 (180deg=0.654) USER MOD Single : A 57 HIS : no HD1:sc= -0.651 X(o=-0.65,f=-0.36) USER MOD Single : A 59 ASN :FLIP amide:sc=-0.000351 F(o=-0.94,f=-0.00035) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 0.814 (180deg=0.0906) USER MOD Single : A 72 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.0591 X(o=-0.059,f=-0.55) USER MOD Single : A 84 ASN : amide:sc= 1.09 K(o=1.1,f=-0.67) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.023 F(o=-0.57,f=-0.023) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -157:sc= 0 (180deg=-0.925) USER MOD Single : A 90 SER OG : rot 180:sc= 0.082 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 100:sc= -0.106 USER MOD Single : A 96 SER OG : rot 180:sc= -0.118 USER MOD Single : A 99 TYR OH : rot -46:sc= 1.28 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -166:sc= -0.0324 (180deg=-0.25) USER MOD Single : A 113 TYR OH : rot -28:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= 0.431 X(o=0.43,f=-0.01) USER MOD Single : A 118 THR OG1 : rot 39:sc= 0.0471 USER MOD Single : B 169 ASN : amide:sc= -0.0439 X(o=-0.044,f=0.39) USER MOD Single : B 183 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.781 -24.234 -10.597 1.00 14.11 N ATOM 2 CA GLY A 1 -7.892 -23.918 -9.172 1.00 41.01 C ATOM 3 C GLY A 1 -7.827 -22.424 -8.968 1.00 4.02 C ATOM 4 O GLY A 1 -8.450 -21.673 -9.718 1.00 23.32 O ATOM 0 H1 GLY A 1 -8.449 -24.994 -10.837 1.00 14.11 H new ATOM 0 H2 GLY A 1 -8.004 -23.388 -11.159 1.00 14.11 H new ATOM 0 H3 GLY A 1 -6.811 -24.545 -10.809 1.00 14.11 H new ATOM 0 HA2 GLY A 1 -8.831 -24.307 -8.777 1.00 41.01 H new ATOM 0 HA3 GLY A 1 -7.088 -24.404 -8.620 1.00 41.01 H new ATOM 8 N ALA A 2 -7.082 -21.979 -7.955 1.00 54.33 N ATOM 9 CA ALA A 2 -6.926 -20.571 -7.624 1.00 3.01 C ATOM 10 C ALA A 2 -5.530 -20.308 -7.069 1.00 11.05 C ATOM 11 O ALA A 2 -4.818 -21.240 -6.683 1.00 31.35 O ATOM 12 CB ALA A 2 -7.983 -20.206 -6.576 1.00 22.14 C ATOM 0 H ALA A 2 -6.564 -22.601 -7.334 1.00 54.33 H new ATOM 0 HA ALA A 2 -7.055 -19.963 -8.519 1.00 3.01 H new ATOM 0 HB1 ALA A 2 -7.885 -19.153 -6.312 1.00 22.14 H new ATOM 0 HB2 ALA A 2 -8.977 -20.387 -6.984 1.00 22.14 H new ATOM 0 HB3 ALA A 2 -7.839 -20.818 -5.686 1.00 22.14 H new ATOM 18 N MET A 3 -5.162 -19.032 -7.020 1.00 40.34 N ATOM 19 CA MET A 3 -3.902 -18.494 -6.521 1.00 12.44 C ATOM 20 C MET A 3 -4.236 -17.353 -5.547 1.00 43.03 C ATOM 21 O MET A 3 -5.409 -17.187 -5.209 1.00 42.13 O ATOM 22 CB MET A 3 -3.024 -18.034 -7.694 1.00 13.43 C ATOM 23 CG MET A 3 -3.649 -16.887 -8.508 1.00 75.44 C ATOM 24 SD MET A 3 -2.456 -15.670 -9.119 1.00 53.04 S ATOM 25 CE MET A 3 -1.405 -16.742 -10.123 1.00 53.14 C ATOM 0 H MET A 3 -5.782 -18.293 -7.352 1.00 40.34 H new ATOM 0 HA MET A 3 -3.328 -19.252 -5.989 1.00 12.44 H new ATOM 0 HB2 MET A 3 -2.056 -17.712 -7.310 1.00 13.43 H new ATOM 0 HB3 MET A 3 -2.839 -18.881 -8.355 1.00 13.43 H new ATOM 0 HG2 MET A 3 -4.186 -17.310 -9.357 1.00 75.44 H new ATOM 0 HG3 MET A 3 -4.386 -16.376 -7.888 1.00 75.44 H new ATOM 0 HE1 MET A 3 -0.699 -16.133 -10.689 1.00 53.14 H new ATOM 0 HE2 MET A 3 -0.857 -17.425 -9.474 1.00 53.14 H new ATOM 0 HE3 MET A 3 -2.024 -17.316 -10.813 1.00 53.14 H new ATOM 35 N GLY A 4 -3.240 -16.572 -5.106 1.00 20.13 N ATOM 36 CA GLY A 4 -3.437 -15.456 -4.186 1.00 51.20 C ATOM 37 C GLY A 4 -4.398 -14.431 -4.784 1.00 20.33 C ATOM 38 O GLY A 4 -3.975 -13.581 -5.578 1.00 4.04 O ATOM 0 H GLY A 4 -2.267 -16.703 -5.384 1.00 20.13 H new ATOM 0 HA2 GLY A 4 -3.832 -15.824 -3.239 1.00 51.20 H new ATOM 0 HA3 GLY A 4 -2.479 -14.982 -3.970 1.00 51.20 H new ATOM 42 N LYS A 5 -5.674 -14.491 -4.386 1.00 52.50 N ATOM 43 CA LYS A 5 -6.729 -13.607 -4.865 1.00 24.32 C ATOM 44 C LYS A 5 -6.479 -12.204 -4.350 1.00 32.21 C ATOM 45 O LYS A 5 -6.721 -11.885 -3.186 1.00 41.34 O ATOM 46 CB LYS A 5 -8.119 -14.102 -4.451 1.00 11.41 C ATOM 47 CG LYS A 5 -8.511 -15.476 -5.021 1.00 24.11 C ATOM 48 CD LYS A 5 -8.692 -15.456 -6.546 1.00 62.15 C ATOM 49 CE LYS A 5 -8.968 -16.862 -7.085 1.00 1.32 C ATOM 50 NZ LYS A 5 -9.404 -16.834 -8.496 1.00 0.12 N ATOM 0 H LYS A 5 -6.004 -15.175 -3.705 1.00 52.50 H new ATOM 0 HA LYS A 5 -6.708 -13.603 -5.955 1.00 24.32 H new ATOM 0 HB2 LYS A 5 -8.163 -14.150 -3.363 1.00 11.41 H new ATOM 0 HB3 LYS A 5 -8.860 -13.368 -4.768 1.00 11.41 H new ATOM 0 HG2 LYS A 5 -7.744 -16.205 -4.760 1.00 24.11 H new ATOM 0 HG3 LYS A 5 -9.438 -15.807 -4.554 1.00 24.11 H new ATOM 0 HD2 LYS A 5 -9.517 -14.794 -6.809 1.00 62.15 H new ATOM 0 HD3 LYS A 5 -7.796 -15.052 -7.017 1.00 62.15 H new ATOM 0 HE2 LYS A 5 -8.067 -17.469 -6.995 1.00 1.32 H new ATOM 0 HE3 LYS A 5 -9.736 -17.340 -6.477 1.00 1.32 H new ATOM 0 HZ1 LYS A 5 -9.581 -17.805 -8.824 1.00 0.12 H new ATOM 0 HZ2 LYS A 5 -10.278 -16.276 -8.578 1.00 0.12 H new ATOM 0 HZ3 LYS A 5 -8.661 -16.401 -9.081 1.00 0.12 H new ATOM 64 N THR A 6 -5.974 -11.390 -5.258 1.00 1.12 N ATOM 65 CA THR A 6 -5.655 -9.998 -5.030 1.00 24.24 C ATOM 66 C THR A 6 -6.952 -9.179 -4.979 1.00 21.23 C ATOM 67 O THR A 6 -8.036 -9.646 -5.351 1.00 54.54 O ATOM 68 CB THR A 6 -4.669 -9.538 -6.127 1.00 53.31 C ATOM 69 OG1 THR A 6 -4.323 -8.183 -5.968 1.00 21.14 O ATOM 70 CG2 THR A 6 -5.158 -9.774 -7.557 1.00 70.13 C ATOM 0 H THR A 6 -5.768 -11.694 -6.210 1.00 1.12 H new ATOM 0 HA THR A 6 -5.163 -9.847 -4.069 1.00 24.24 H new ATOM 0 HB THR A 6 -3.790 -10.168 -5.989 1.00 53.31 H new ATOM 0 HG1 THR A 6 -3.697 -7.920 -6.675 1.00 21.14 H new ATOM 0 HG21 THR A 6 -4.405 -9.422 -8.262 1.00 70.13 H new ATOM 0 HG22 THR A 6 -5.330 -10.839 -7.712 1.00 70.13 H new ATOM 0 HG23 THR A 6 -6.088 -9.229 -7.718 1.00 70.13 H new ATOM 78 N PHE A 7 -6.839 -7.927 -4.539 1.00 40.51 N ATOM 79 CA PHE A 7 -7.948 -6.993 -4.431 1.00 2.50 C ATOM 80 C PHE A 7 -8.627 -6.838 -5.793 1.00 41.44 C ATOM 81 O PHE A 7 -9.846 -6.950 -5.895 1.00 11.41 O ATOM 82 CB PHE A 7 -7.454 -5.649 -3.876 1.00 34.22 C ATOM 83 CG PHE A 7 -6.634 -4.822 -4.847 1.00 62.31 C ATOM 84 CD1 PHE A 7 -5.269 -5.110 -5.027 1.00 13.50 C ATOM 85 CD2 PHE A 7 -7.242 -3.808 -5.616 1.00 21.21 C ATOM 86 CE1 PHE A 7 -4.522 -4.391 -5.970 1.00 41.44 C ATOM 87 CE2 PHE A 7 -6.489 -3.091 -6.562 1.00 32.13 C ATOM 88 CZ PHE A 7 -5.126 -3.381 -6.739 1.00 52.02 C ATOM 0 H PHE A 7 -5.949 -7.528 -4.241 1.00 40.51 H new ATOM 0 HA PHE A 7 -8.690 -7.380 -3.732 1.00 2.50 H new ATOM 0 HB2 PHE A 7 -8.317 -5.063 -3.561 1.00 34.22 H new ATOM 0 HB3 PHE A 7 -6.855 -5.838 -2.985 1.00 34.22 H new ATOM 0 HD1 PHE A 7 -4.797 -5.884 -4.440 1.00 13.50 H new ATOM 0 HD2 PHE A 7 -8.289 -3.582 -5.478 1.00 21.21 H new ATOM 0 HE1 PHE A 7 -3.474 -4.615 -6.107 1.00 41.44 H new ATOM 0 HE2 PHE A 7 -6.958 -2.318 -7.152 1.00 32.13 H new ATOM 0 HZ PHE A 7 -4.544 -2.830 -7.463 1.00 52.02 H new ATOM 98 N LYS A 8 -7.832 -6.678 -6.861 1.00 53.53 N ATOM 99 CA LYS A 8 -8.342 -6.532 -8.223 1.00 14.31 C ATOM 100 C LYS A 8 -9.078 -7.789 -8.675 1.00 54.43 C ATOM 101 O LYS A 8 -9.804 -7.751 -9.658 1.00 51.01 O ATOM 102 CB LYS A 8 -7.247 -6.070 -9.197 1.00 65.33 C ATOM 103 CG LYS A 8 -6.013 -6.977 -9.248 1.00 11.42 C ATOM 104 CD LYS A 8 -4.974 -6.502 -10.266 1.00 74.35 C ATOM 105 CE LYS A 8 -4.476 -5.091 -9.947 1.00 1.13 C ATOM 106 NZ LYS A 8 -3.325 -4.716 -10.783 1.00 21.21 N ATOM 0 H LYS A 8 -6.814 -6.647 -6.799 1.00 53.53 H new ATOM 0 HA LYS A 8 -9.084 -5.733 -8.225 1.00 14.31 H new ATOM 0 HB2 LYS A 8 -7.674 -6.003 -10.198 1.00 65.33 H new ATOM 0 HB3 LYS A 8 -6.931 -5.065 -8.918 1.00 65.33 H new ATOM 0 HG2 LYS A 8 -5.555 -7.017 -8.260 1.00 11.42 H new ATOM 0 HG3 LYS A 8 -6.323 -7.992 -9.497 1.00 11.42 H new ATOM 0 HD2 LYS A 8 -4.131 -7.193 -10.275 1.00 74.35 H new ATOM 0 HD3 LYS A 8 -5.409 -6.517 -11.265 1.00 74.35 H new ATOM 0 HE2 LYS A 8 -5.285 -4.377 -10.101 1.00 1.13 H new ATOM 0 HE3 LYS A 8 -4.195 -5.034 -8.895 1.00 1.13 H new ATOM 0 HZ1 LYS A 8 -3.144 -3.696 -10.687 1.00 21.21 H new ATOM 0 HZ2 LYS A 8 -2.485 -5.247 -10.476 1.00 21.21 H new ATOM 0 HZ3 LYS A 8 -3.531 -4.939 -11.778 1.00 21.21 H new ATOM 120 N GLN A 9 -8.832 -8.938 -8.042 1.00 10.33 N ATOM 121 CA GLN A 9 -9.520 -10.166 -8.387 1.00 51.14 C ATOM 122 C GLN A 9 -10.893 -10.126 -7.715 1.00 54.23 C ATOM 123 O GLN A 9 -11.889 -10.381 -8.385 1.00 64.04 O ATOM 124 CB GLN A 9 -8.701 -11.402 -7.982 1.00 61.01 C ATOM 125 CG GLN A 9 -8.709 -12.463 -9.095 1.00 33.40 C ATOM 126 CD GLN A 9 -7.594 -12.283 -10.118 1.00 51.35 C ATOM 127 OE1 GLN A 9 -7.072 -11.082 -10.281 1.00 12.40 O flip ATOM 128 NE2 GLN A 9 -7.172 -13.250 -10.751 1.00 1.04 N flip ATOM 0 H GLN A 9 -8.156 -9.035 -7.285 1.00 10.33 H new ATOM 0 HA GLN A 9 -9.646 -10.246 -9.467 1.00 51.14 H new ATOM 0 HB2 GLN A 9 -7.675 -11.106 -7.765 1.00 61.01 H new ATOM 0 HB3 GLN A 9 -9.110 -11.829 -7.066 1.00 61.01 H new ATOM 0 HG2 GLN A 9 -8.621 -13.451 -8.644 1.00 33.40 H new ATOM 0 HG3 GLN A 9 -9.670 -12.432 -9.608 1.00 33.40 H new ATOM 0 HE21 GLN A 9 -7.588 -14.171 -10.612 1.00 1.04 H new ATOM 0 HE22 GLN A 9 -6.407 -13.131 -11.415 1.00 1.04 H new ATOM 137 N ARG A 10 -10.971 -9.734 -6.431 1.00 41.44 N ATOM 138 CA ARG A 10 -12.250 -9.668 -5.703 1.00 62.21 C ATOM 139 C ARG A 10 -13.128 -8.455 -6.073 1.00 12.12 C ATOM 140 O ARG A 10 -14.235 -8.317 -5.547 1.00 51.34 O ATOM 141 CB ARG A 10 -12.053 -9.833 -4.174 1.00 74.24 C ATOM 142 CG ARG A 10 -11.249 -8.720 -3.486 1.00 60.45 C ATOM 143 CD ARG A 10 -11.424 -8.668 -1.958 1.00 0.42 C ATOM 144 NE ARG A 10 -10.616 -9.686 -1.262 1.00 55.54 N ATOM 145 CZ ARG A 10 -10.273 -9.690 0.035 1.00 34.24 C ATOM 146 NH1 ARG A 10 -10.717 -8.768 0.879 1.00 31.40 N ATOM 147 NH2 ARG A 10 -9.477 -10.645 0.503 1.00 54.31 N ATOM 0 H ARG A 10 -10.161 -9.458 -5.875 1.00 41.44 H new ATOM 0 HA ARG A 10 -12.827 -10.528 -6.044 1.00 62.21 H new ATOM 0 HB2 ARG A 10 -13.034 -9.892 -3.703 1.00 74.24 H new ATOM 0 HB3 ARG A 10 -11.554 -10.784 -3.990 1.00 74.24 H new ATOM 0 HG2 ARG A 10 -10.192 -8.856 -3.715 1.00 60.45 H new ATOM 0 HG3 ARG A 10 -11.545 -7.759 -3.907 1.00 60.45 H new ATOM 0 HD2 ARG A 10 -11.145 -7.678 -1.597 1.00 0.42 H new ATOM 0 HD3 ARG A 10 -12.476 -8.812 -1.711 1.00 0.42 H new ATOM 0 HE ARG A 10 -10.283 -10.469 -1.825 1.00 55.54 H new ATOM 0 HH11 ARG A 10 -11.337 -8.029 0.547 1.00 31.40 H new ATOM 0 HH12 ARG A 10 -10.438 -8.798 1.860 1.00 31.40 H new ATOM 0 HH21 ARG A 10 -9.129 -11.371 -0.123 1.00 54.31 H new ATOM 0 HH22 ARG A 10 -9.214 -10.652 1.488 1.00 54.31 H new ATOM 161 N ARG A 11 -12.673 -7.543 -6.941 1.00 22.23 N ATOM 162 CA ARG A 11 -13.423 -6.366 -7.395 1.00 11.11 C ATOM 163 C ARG A 11 -13.058 -6.108 -8.847 1.00 43.44 C ATOM 164 O ARG A 11 -11.880 -5.912 -9.160 1.00 43.54 O ATOM 165 CB ARG A 11 -13.130 -5.103 -6.557 1.00 43.14 C ATOM 166 CG ARG A 11 -14.016 -4.963 -5.306 1.00 11.30 C ATOM 167 CD ARG A 11 -13.178 -5.045 -4.031 1.00 30.42 C ATOM 168 NE ARG A 11 -13.999 -4.962 -2.820 1.00 23.23 N ATOM 169 CZ ARG A 11 -14.773 -5.923 -2.305 1.00 44.41 C ATOM 170 NH1 ARG A 11 -14.929 -7.090 -2.934 1.00 15.10 N ATOM 171 NH2 ARG A 11 -15.386 -5.709 -1.150 1.00 75.22 N ATOM 0 H ARG A 11 -11.745 -7.606 -7.359 1.00 22.23 H new ATOM 0 HA ARG A 11 -14.486 -6.576 -7.278 1.00 11.11 H new ATOM 0 HB2 ARG A 11 -12.084 -5.118 -6.249 1.00 43.14 H new ATOM 0 HB3 ARG A 11 -13.265 -4.223 -7.186 1.00 43.14 H new ATOM 0 HG2 ARG A 11 -14.547 -4.011 -5.336 1.00 11.30 H new ATOM 0 HG3 ARG A 11 -14.771 -5.749 -5.301 1.00 11.30 H new ATOM 0 HD2 ARG A 11 -12.620 -5.981 -4.025 1.00 30.42 H new ATOM 0 HD3 ARG A 11 -12.446 -4.237 -4.027 1.00 30.42 H new ATOM 0 HE ARG A 11 -13.978 -4.076 -2.316 1.00 23.23 H new ATOM 0 HH11 ARG A 11 -14.454 -7.259 -3.821 1.00 15.10 H new ATOM 0 HH12 ARG A 11 -15.523 -7.813 -2.528 1.00 15.10 H new ATOM 0 HH21 ARG A 11 -15.264 -4.820 -0.665 1.00 75.22 H new ATOM 0 HH22 ARG A 11 -15.979 -6.433 -0.746 1.00 75.22 H new ATOM 185 N THR A 12 -14.052 -6.099 -9.728 1.00 74.45 N ATOM 186 CA THR A 12 -13.895 -5.860 -11.158 1.00 34.04 C ATOM 187 C THR A 12 -13.309 -4.452 -11.384 1.00 43.53 C ATOM 188 O THR A 12 -13.314 -3.619 -10.475 1.00 12.10 O ATOM 189 CB THR A 12 -15.270 -6.107 -11.811 1.00 21.22 C ATOM 190 OG1 THR A 12 -15.203 -6.194 -13.213 1.00 70.01 O ATOM 191 CG2 THR A 12 -16.279 -5.012 -11.460 1.00 45.32 C ATOM 0 H THR A 12 -15.022 -6.263 -9.457 1.00 74.45 H new ATOM 0 HA THR A 12 -13.183 -6.537 -11.630 1.00 34.04 H new ATOM 0 HB THR A 12 -15.599 -7.064 -11.406 1.00 21.22 H new ATOM 0 HG1 THR A 12 -16.100 -6.352 -13.574 1.00 70.01 H new ATOM 0 HG21 THR A 12 -17.233 -5.228 -11.942 1.00 45.32 H new ATOM 0 HG22 THR A 12 -16.418 -4.978 -10.379 1.00 45.32 H new ATOM 0 HG23 THR A 12 -15.906 -4.049 -11.808 1.00 45.32 H new ATOM 199 N PHE A 13 -12.824 -4.154 -12.592 1.00 11.32 N ATOM 200 CA PHE A 13 -12.231 -2.864 -12.938 1.00 64.14 C ATOM 201 C PHE A 13 -13.178 -1.709 -12.622 1.00 2.10 C ATOM 202 O PHE A 13 -12.763 -0.723 -12.018 1.00 24.21 O ATOM 203 CB PHE A 13 -11.810 -2.876 -14.407 1.00 34.12 C ATOM 204 CG PHE A 13 -11.033 -1.653 -14.847 1.00 30.10 C ATOM 205 CD1 PHE A 13 -11.697 -0.446 -15.145 1.00 33.42 C ATOM 206 CD2 PHE A 13 -9.636 -1.727 -14.984 1.00 50.35 C ATOM 207 CE1 PHE A 13 -10.969 0.674 -15.578 1.00 1.41 C ATOM 208 CE2 PHE A 13 -8.924 -0.628 -15.479 1.00 64.44 C ATOM 209 CZ PHE A 13 -9.579 0.585 -15.753 1.00 45.03 C ATOM 0 H PHE A 13 -12.834 -4.815 -13.369 1.00 11.32 H new ATOM 0 HA PHE A 13 -11.343 -2.705 -12.326 1.00 64.14 H new ATOM 0 HB2 PHE A 13 -11.203 -3.762 -14.591 1.00 34.12 H new ATOM 0 HB3 PHE A 13 -12.702 -2.967 -15.027 1.00 34.12 H new ATOM 0 HD1 PHE A 13 -12.770 -0.382 -15.040 1.00 33.42 H new ATOM 0 HD2 PHE A 13 -9.113 -2.630 -14.708 1.00 50.35 H new ATOM 0 HE1 PHE A 13 -11.479 1.605 -15.777 1.00 1.41 H new ATOM 0 HE2 PHE A 13 -7.861 -0.713 -15.652 1.00 64.44 H new ATOM 0 HZ PHE A 13 -9.017 1.442 -16.095 1.00 45.03 H new ATOM 219 N GLU A 14 -14.460 -1.857 -12.951 1.00 42.22 N ATOM 220 CA GLU A 14 -15.479 -0.849 -12.700 1.00 10.12 C ATOM 221 C GLU A 14 -15.507 -0.512 -11.211 1.00 41.11 C ATOM 222 O GLU A 14 -15.533 0.658 -10.830 1.00 65.23 O ATOM 223 CB GLU A 14 -16.850 -1.363 -13.143 1.00 22.32 C ATOM 224 CG GLU A 14 -17.010 -1.436 -14.666 1.00 54.45 C ATOM 225 CD GLU A 14 -16.524 -2.773 -15.218 1.00 51.13 C ATOM 226 OE1 GLU A 14 -15.296 -2.950 -15.383 1.00 30.23 O ATOM 227 OE2 GLU A 14 -17.375 -3.658 -15.462 1.00 61.53 O ATOM 0 H GLU A 14 -14.822 -2.695 -13.406 1.00 42.22 H new ATOM 0 HA GLU A 14 -15.241 0.049 -13.270 1.00 10.12 H new ATOM 0 HB2 GLU A 14 -17.012 -2.354 -12.720 1.00 22.32 H new ATOM 0 HB3 GLU A 14 -17.623 -0.712 -12.735 1.00 22.32 H new ATOM 0 HG2 GLU A 14 -18.058 -1.292 -14.930 1.00 54.45 H new ATOM 0 HG3 GLU A 14 -16.450 -0.625 -15.131 1.00 54.45 H new ATOM 234 N GLN A 15 -15.496 -1.551 -10.373 1.00 42.55 N ATOM 235 CA GLN A 15 -15.493 -1.404 -8.936 1.00 31.32 C ATOM 236 C GLN A 15 -14.165 -0.815 -8.474 1.00 14.44 C ATOM 237 O GLN A 15 -14.153 -0.207 -7.418 1.00 2.50 O ATOM 238 CB GLN A 15 -15.771 -2.738 -8.228 1.00 10.40 C ATOM 239 CG GLN A 15 -17.272 -2.965 -8.039 1.00 14.30 C ATOM 240 CD GLN A 15 -17.540 -4.180 -7.155 1.00 72.03 C ATOM 241 OE1 GLN A 15 -17.156 -5.301 -7.492 1.00 51.44 O ATOM 242 NE2 GLN A 15 -18.212 -4.015 -6.029 1.00 45.42 N ATOM 0 H GLN A 15 -15.489 -2.522 -10.686 1.00 42.55 H new ATOM 0 HA GLN A 15 -16.298 -0.721 -8.666 1.00 31.32 H new ATOM 0 HB2 GLN A 15 -15.348 -3.556 -8.811 1.00 10.40 H new ATOM 0 HB3 GLN A 15 -15.275 -2.747 -7.258 1.00 10.40 H new ATOM 0 HG2 GLN A 15 -17.723 -2.080 -7.591 1.00 14.30 H new ATOM 0 HG3 GLN A 15 -17.746 -3.107 -9.010 1.00 14.30 H new ATOM 0 HE21 GLN A 15 -18.527 -3.084 -5.755 1.00 45.42 H new ATOM 0 HE22 GLN A 15 -18.415 -4.818 -5.434 1.00 45.42 H new ATOM 251 N ARG A 16 -13.033 -1.041 -9.151 1.00 45.53 N ATOM 252 CA ARG A 16 -11.749 -0.478 -8.727 1.00 70.41 C ATOM 253 C ARG A 16 -11.842 1.029 -8.849 1.00 63.44 C ATOM 254 O ARG A 16 -11.538 1.711 -7.879 1.00 73.05 O ATOM 255 CB ARG A 16 -10.559 -1.033 -9.530 1.00 2.30 C ATOM 256 CG ARG A 16 -10.294 -2.509 -9.206 1.00 24.02 C ATOM 257 CD ARG A 16 -9.378 -3.172 -10.245 1.00 1.04 C ATOM 258 NE ARG A 16 -9.880 -4.513 -10.592 1.00 32.51 N ATOM 259 CZ ARG A 16 -9.743 -5.139 -11.765 1.00 4.22 C ATOM 260 NH1 ARG A 16 -8.907 -4.685 -12.687 1.00 3.03 N ATOM 261 NH2 ARG A 16 -10.459 -6.229 -11.998 1.00 63.22 N ATOM 0 H ARG A 16 -12.982 -1.611 -9.996 1.00 45.53 H new ATOM 0 HA ARG A 16 -11.558 -0.768 -7.694 1.00 70.41 H new ATOM 0 HB2 ARG A 16 -10.757 -0.925 -10.596 1.00 2.30 H new ATOM 0 HB3 ARG A 16 -9.667 -0.446 -9.311 1.00 2.30 H new ATOM 0 HG2 ARG A 16 -9.838 -2.587 -8.219 1.00 24.02 H new ATOM 0 HG3 ARG A 16 -11.241 -3.046 -9.163 1.00 24.02 H new ATOM 0 HD2 ARG A 16 -9.326 -2.553 -11.141 1.00 1.04 H new ATOM 0 HD3 ARG A 16 -8.365 -3.247 -9.850 1.00 1.04 H new ATOM 0 HE ARG A 16 -10.384 -5.016 -9.862 1.00 32.51 H new ATOM 0 HH11 ARG A 16 -8.356 -3.846 -12.507 1.00 3.03 H new ATOM 0 HH12 ARG A 16 -8.814 -5.175 -13.577 1.00 3.03 H new ATOM 0 HH21 ARG A 16 -11.102 -6.578 -11.288 1.00 63.22 H new ATOM 0 HH22 ARG A 16 -10.367 -6.719 -12.888 1.00 63.22 H new ATOM 275 N VAL A 17 -12.273 1.550 -9.997 1.00 30.42 N ATOM 276 CA VAL A 17 -12.382 2.991 -10.149 1.00 73.12 C ATOM 277 C VAL A 17 -13.446 3.548 -9.179 1.00 70.33 C ATOM 278 O VAL A 17 -13.187 4.561 -8.527 1.00 72.02 O ATOM 279 CB VAL A 17 -12.528 3.354 -11.640 1.00 50.05 C ATOM 280 CG1 VAL A 17 -13.778 2.805 -12.333 1.00 50.21 C ATOM 281 CG2 VAL A 17 -12.467 4.865 -11.828 1.00 52.45 C ATOM 0 H VAL A 17 -12.546 1.006 -10.816 1.00 30.42 H new ATOM 0 HA VAL A 17 -11.467 3.501 -9.847 1.00 73.12 H new ATOM 0 HB VAL A 17 -11.684 2.862 -12.124 1.00 50.05 H new ATOM 0 HG11 VAL A 17 -13.783 3.118 -13.377 1.00 50.21 H new ATOM 0 HG12 VAL A 17 -13.774 1.716 -12.281 1.00 50.21 H new ATOM 0 HG13 VAL A 17 -14.668 3.189 -11.835 1.00 50.21 H new ATOM 0 HG21 VAL A 17 -12.572 5.105 -12.886 1.00 52.45 H new ATOM 0 HG22 VAL A 17 -13.276 5.334 -11.268 1.00 52.45 H new ATOM 0 HG23 VAL A 17 -11.510 5.239 -11.464 1.00 52.45 H new ATOM 291 N GLU A 18 -14.590 2.867 -8.998 1.00 64.33 N ATOM 292 CA GLU A 18 -15.644 3.319 -8.082 1.00 2.50 C ATOM 293 C GLU A 18 -15.162 3.297 -6.621 1.00 21.40 C ATOM 294 O GLU A 18 -15.579 4.127 -5.816 1.00 52.11 O ATOM 295 CB GLU A 18 -16.913 2.465 -8.231 1.00 11.14 C ATOM 296 CG GLU A 18 -17.686 2.795 -9.514 1.00 2.23 C ATOM 297 CD GLU A 18 -18.899 1.878 -9.725 1.00 63.11 C ATOM 298 OE1 GLU A 18 -18.739 0.662 -9.978 1.00 52.44 O ATOM 299 OE2 GLU A 18 -20.051 2.361 -9.653 1.00 45.13 O ATOM 0 H GLU A 18 -14.807 1.994 -9.480 1.00 64.33 H new ATOM 0 HA GLU A 18 -15.885 4.348 -8.350 1.00 2.50 H new ATOM 0 HB2 GLU A 18 -16.640 1.410 -8.234 1.00 11.14 H new ATOM 0 HB3 GLU A 18 -17.560 2.624 -7.368 1.00 11.14 H new ATOM 0 HG2 GLU A 18 -18.021 3.831 -9.475 1.00 2.23 H new ATOM 0 HG3 GLU A 18 -17.016 2.708 -10.370 1.00 2.23 H new ATOM 306 N ASP A 19 -14.300 2.347 -6.266 1.00 30.42 N ATOM 307 CA ASP A 19 -13.711 2.176 -4.939 1.00 13.23 C ATOM 308 C ASP A 19 -12.676 3.270 -4.705 1.00 21.34 C ATOM 309 O ASP A 19 -12.640 3.860 -3.630 1.00 30.14 O ATOM 310 CB ASP A 19 -13.081 0.788 -4.853 1.00 42.15 C ATOM 311 CG ASP A 19 -12.180 0.559 -3.650 1.00 25.04 C ATOM 312 OD1 ASP A 19 -12.687 0.083 -2.609 1.00 61.25 O ATOM 313 OD2 ASP A 19 -10.945 0.590 -3.851 1.00 32.24 O ATOM 0 H ASP A 19 -13.977 1.641 -6.928 1.00 30.42 H new ATOM 0 HA ASP A 19 -14.475 2.258 -4.165 1.00 13.23 H new ATOM 0 HB2 ASP A 19 -13.878 0.045 -4.836 1.00 42.15 H new ATOM 0 HB3 ASP A 19 -12.501 0.613 -5.759 1.00 42.15 H new ATOM 318 N VAL A 20 -11.850 3.579 -5.710 1.00 51.34 N ATOM 319 CA VAL A 20 -10.839 4.620 -5.604 1.00 3.22 C ATOM 320 C VAL A 20 -11.544 5.948 -5.368 1.00 54.22 C ATOM 321 O VAL A 20 -11.208 6.631 -4.399 1.00 53.42 O ATOM 322 CB VAL A 20 -9.881 4.618 -6.814 1.00 32.00 C ATOM 323 CG1 VAL A 20 -8.915 5.810 -6.765 1.00 30.01 C ATOM 324 CG2 VAL A 20 -8.998 3.361 -6.819 1.00 44.31 C ATOM 0 H VAL A 20 -11.869 3.111 -6.616 1.00 51.34 H new ATOM 0 HA VAL A 20 -10.186 4.431 -4.752 1.00 3.22 H new ATOM 0 HB VAL A 20 -10.516 4.662 -7.699 1.00 32.00 H new ATOM 0 HG11 VAL A 20 -8.254 5.779 -7.631 1.00 30.01 H new ATOM 0 HG12 VAL A 20 -9.484 6.740 -6.776 1.00 30.01 H new ATOM 0 HG13 VAL A 20 -8.320 5.759 -5.853 1.00 30.01 H new ATOM 0 HG21 VAL A 20 -8.333 3.387 -7.683 1.00 44.31 H new ATOM 0 HG22 VAL A 20 -8.405 3.330 -5.905 1.00 44.31 H new ATOM 0 HG23 VAL A 20 -9.629 2.474 -6.873 1.00 44.31 H new ATOM 334 N ARG A 21 -12.514 6.327 -6.210 1.00 54.24 N ATOM 335 CA ARG A 21 -13.226 7.588 -6.009 1.00 3.52 C ATOM 336 C ARG A 21 -13.936 7.563 -4.655 1.00 25.13 C ATOM 337 O ARG A 21 -13.911 8.591 -3.991 1.00 44.13 O ATOM 338 CB ARG A 21 -14.116 7.953 -7.212 1.00 54.11 C ATOM 339 CG ARG A 21 -15.243 6.958 -7.473 1.00 41.51 C ATOM 340 CD ARG A 21 -16.533 7.299 -6.721 1.00 33.11 C ATOM 341 NE ARG A 21 -17.517 7.814 -7.679 1.00 70.32 N ATOM 342 CZ ARG A 21 -18.548 7.129 -8.190 1.00 21.42 C ATOM 343 NH1 ARG A 21 -18.903 5.955 -7.681 1.00 23.34 N ATOM 344 NH2 ARG A 21 -19.213 7.612 -9.227 1.00 44.11 N ATOM 0 H ARG A 21 -12.817 5.788 -7.021 1.00 54.24 H new ATOM 0 HA ARG A 21 -12.514 8.412 -5.967 1.00 3.52 H new ATOM 0 HB2 ARG A 21 -14.548 8.940 -7.046 1.00 54.11 H new ATOM 0 HB3 ARG A 21 -13.493 8.023 -8.104 1.00 54.11 H new ATOM 0 HG2 ARG A 21 -15.451 6.926 -8.543 1.00 41.51 H new ATOM 0 HG3 ARG A 21 -14.913 5.961 -7.183 1.00 41.51 H new ATOM 0 HD2 ARG A 21 -16.923 6.413 -6.219 1.00 33.11 H new ATOM 0 HD3 ARG A 21 -16.334 8.042 -5.948 1.00 33.11 H new ATOM 0 HE ARG A 21 -17.406 8.781 -7.983 1.00 70.32 H new ATOM 0 HH11 ARG A 21 -18.388 5.565 -6.891 1.00 23.34 H new ATOM 0 HH12 ARG A 21 -19.690 5.443 -8.080 1.00 23.34 H new ATOM 0 HH21 ARG A 21 -18.940 8.505 -9.637 1.00 44.11 H new ATOM 0 HH22 ARG A 21 -19.998 7.091 -9.617 1.00 44.11 H new ATOM 358 N LEU A 22 -14.507 6.434 -4.200 1.00 21.34 N ATOM 359 CA LEU A 22 -15.165 6.381 -2.887 1.00 12.40 C ATOM 360 C LEU A 22 -14.131 6.689 -1.804 1.00 43.13 C ATOM 361 O LEU A 22 -14.402 7.500 -0.924 1.00 51.31 O ATOM 362 CB LEU A 22 -15.860 5.026 -2.646 1.00 42.41 C ATOM 363 CG LEU A 22 -16.661 4.856 -1.332 1.00 71.35 C ATOM 364 CD1 LEU A 22 -15.790 4.349 -0.180 1.00 31.00 C ATOM 365 CD2 LEU A 22 -17.439 6.094 -0.864 1.00 72.43 C ATOM 0 H LEU A 22 -14.525 5.555 -4.718 1.00 21.34 H new ATOM 0 HA LEU A 22 -15.954 7.132 -2.853 1.00 12.40 H new ATOM 0 HB2 LEU A 22 -16.539 4.843 -3.479 1.00 42.41 H new ATOM 0 HB3 LEU A 22 -15.098 4.247 -2.679 1.00 42.41 H new ATOM 0 HG LEU A 22 -17.405 4.105 -1.600 1.00 71.35 H new ATOM 0 HD11 LEU A 22 -16.399 4.247 0.718 1.00 31.00 H new ATOM 0 HD12 LEU A 22 -15.366 3.380 -0.444 1.00 31.00 H new ATOM 0 HD13 LEU A 22 -14.984 5.059 0.007 1.00 31.00 H new ATOM 0 HD21 LEU A 22 -17.963 5.865 0.064 1.00 72.43 H new ATOM 0 HD22 LEU A 22 -16.745 6.917 -0.695 1.00 72.43 H new ATOM 0 HD23 LEU A 22 -18.162 6.380 -1.628 1.00 72.43 H new ATOM 377 N ILE A 23 -12.939 6.089 -1.857 1.00 41.32 N ATOM 378 CA ILE A 23 -11.890 6.344 -0.872 1.00 25.12 C ATOM 379 C ILE A 23 -11.506 7.824 -0.922 1.00 41.31 C ATOM 380 O ILE A 23 -11.406 8.468 0.122 1.00 61.35 O ATOM 381 CB ILE A 23 -10.707 5.357 -1.059 1.00 43.52 C ATOM 382 CG1 ILE A 23 -10.840 4.178 -0.072 1.00 4.32 C ATOM 383 CG2 ILE A 23 -9.325 6.002 -0.843 1.00 54.24 C ATOM 384 CD1 ILE A 23 -12.026 3.252 -0.360 1.00 53.32 C ATOM 0 H ILE A 23 -12.677 5.418 -2.579 1.00 41.32 H new ATOM 0 HA ILE A 23 -12.251 6.152 0.138 1.00 25.12 H new ATOM 0 HB ILE A 23 -10.763 5.022 -2.095 1.00 43.52 H new ATOM 0 HG12 ILE A 23 -9.921 3.592 -0.097 1.00 4.32 H new ATOM 0 HG13 ILE A 23 -10.939 4.574 0.939 1.00 4.32 H new ATOM 0 HG21 ILE A 23 -8.547 5.253 -0.990 1.00 54.24 H new ATOM 0 HG22 ILE A 23 -9.187 6.814 -1.557 1.00 54.24 H new ATOM 0 HG23 ILE A 23 -9.262 6.396 0.171 1.00 54.24 H new ATOM 0 HD11 ILE A 23 -12.049 2.450 0.378 1.00 53.32 H new ATOM 0 HD12 ILE A 23 -12.954 3.822 -0.306 1.00 53.32 H new ATOM 0 HD13 ILE A 23 -11.920 2.825 -1.357 1.00 53.32 H new ATOM 396 N ARG A 24 -11.312 8.385 -2.119 1.00 30.11 N ATOM 397 CA ARG A 24 -10.952 9.792 -2.278 1.00 42.14 C ATOM 398 C ARG A 24 -12.095 10.695 -1.796 1.00 11.30 C ATOM 399 O ARG A 24 -11.844 11.828 -1.410 1.00 50.31 O ATOM 400 CB ARG A 24 -10.588 10.092 -3.743 1.00 71.44 C ATOM 401 CG ARG A 24 -9.530 9.149 -4.364 1.00 32.12 C ATOM 402 CD ARG A 24 -8.290 9.861 -4.891 1.00 10.50 C ATOM 403 NE ARG A 24 -7.361 10.237 -3.816 1.00 34.04 N ATOM 404 CZ ARG A 24 -6.497 11.257 -3.882 1.00 22.43 C ATOM 405 NH1 ARG A 24 -6.289 11.895 -5.027 1.00 41.22 N ATOM 406 NH2 ARG A 24 -5.838 11.615 -2.788 1.00 31.32 N ATOM 0 H ARG A 24 -11.400 7.877 -2.999 1.00 30.11 H new ATOM 0 HA ARG A 24 -10.076 10.000 -1.664 1.00 42.14 H new ATOM 0 HB2 ARG A 24 -11.496 10.040 -4.344 1.00 71.44 H new ATOM 0 HB3 ARG A 24 -10.221 11.116 -3.807 1.00 71.44 H new ATOM 0 HG2 ARG A 24 -9.225 8.420 -3.614 1.00 32.12 H new ATOM 0 HG3 ARG A 24 -9.990 8.593 -5.181 1.00 32.12 H new ATOM 0 HD2 ARG A 24 -7.776 9.213 -5.601 1.00 10.50 H new ATOM 0 HD3 ARG A 24 -8.592 10.755 -5.436 1.00 10.50 H new ATOM 0 HE ARG A 24 -7.376 9.682 -2.960 1.00 34.04 H new ATOM 0 HH11 ARG A 24 -6.790 11.609 -5.868 1.00 41.22 H new ATOM 0 HH12 ARG A 24 -5.628 12.671 -5.066 1.00 41.22 H new ATOM 0 HH21 ARG A 24 -5.993 11.115 -1.913 1.00 31.32 H new ATOM 0 HH22 ARG A 24 -5.176 12.390 -2.822 1.00 31.32 H new ATOM 420 N GLU A 25 -13.337 10.218 -1.794 1.00 74.04 N ATOM 421 CA GLU A 25 -14.513 10.949 -1.356 1.00 42.24 C ATOM 422 C GLU A 25 -14.582 10.926 0.174 1.00 41.11 C ATOM 423 O GLU A 25 -14.621 11.989 0.786 1.00 2.24 O ATOM 424 CB GLU A 25 -15.762 10.339 -2.015 1.00 3.13 C ATOM 425 CG GLU A 25 -17.057 11.107 -1.748 1.00 74.35 C ATOM 426 CD GLU A 25 -18.251 10.308 -2.275 1.00 33.30 C ATOM 427 OE1 GLU A 25 -18.458 10.239 -3.513 1.00 23.31 O ATOM 428 OE2 GLU A 25 -19.000 9.741 -1.453 1.00 5.50 O ATOM 0 H GLU A 25 -13.556 9.273 -2.111 1.00 74.04 H new ATOM 0 HA GLU A 25 -14.459 11.993 -1.663 1.00 42.24 H new ATOM 0 HB2 GLU A 25 -15.601 10.287 -3.092 1.00 3.13 H new ATOM 0 HB3 GLU A 25 -15.881 9.315 -1.660 1.00 3.13 H new ATOM 0 HG2 GLU A 25 -17.171 11.286 -0.679 1.00 74.35 H new ATOM 0 HG3 GLU A 25 -17.018 12.083 -2.232 1.00 74.35 H new ATOM 435 N GLN A 26 -14.585 9.749 0.812 1.00 73.31 N ATOM 436 CA GLN A 26 -14.663 9.627 2.272 1.00 31.01 C ATOM 437 C GLN A 26 -13.402 10.155 2.972 1.00 61.03 C ATOM 438 O GLN A 26 -13.495 10.672 4.090 1.00 23.00 O ATOM 439 CB GLN A 26 -14.961 8.169 2.683 1.00 73.15 C ATOM 440 CG GLN A 26 -13.784 7.224 2.417 1.00 12.10 C ATOM 441 CD GLN A 26 -14.045 5.732 2.592 1.00 34.04 C ATOM 442 OE1 GLN A 26 -13.248 4.928 2.136 1.00 21.32 O ATOM 443 NE2 GLN A 26 -15.114 5.306 3.244 1.00 4.51 N ATOM 0 H GLN A 26 -14.533 8.852 0.328 1.00 73.31 H new ATOM 0 HA GLN A 26 -15.490 10.255 2.604 1.00 31.01 H new ATOM 0 HB2 GLN A 26 -15.212 8.139 3.743 1.00 73.15 H new ATOM 0 HB3 GLN A 26 -15.836 7.814 2.138 1.00 73.15 H new ATOM 0 HG2 GLN A 26 -13.439 7.391 1.397 1.00 12.10 H new ATOM 0 HG3 GLN A 26 -12.966 7.506 3.080 1.00 12.10 H new ATOM 0 HE21 GLN A 26 -15.780 5.978 3.625 1.00 4.51 H new ATOM 0 HE22 GLN A 26 -15.272 4.306 3.366 1.00 4.51 H new ATOM 452 N HIS A 27 -12.237 10.046 2.322 1.00 10.10 N ATOM 453 CA HIS A 27 -10.937 10.477 2.818 1.00 70.35 C ATOM 454 C HIS A 27 -10.196 11.251 1.715 1.00 62.04 C ATOM 455 O HIS A 27 -9.239 10.737 1.129 1.00 1.21 O ATOM 456 CB HIS A 27 -10.131 9.256 3.290 1.00 32.02 C ATOM 457 CG HIS A 27 -10.699 8.506 4.468 1.00 11.14 C ATOM 458 ND1 HIS A 27 -10.906 7.155 4.527 1.00 10.30 N flip ATOM 459 CD2 HIS A 27 -11.035 9.034 5.697 1.00 24.41 C flip ATOM 460 CE1 HIS A 27 -11.353 6.855 5.815 1.00 61.01 C flip ATOM 461 NE2 HIS A 27 -11.461 8.022 6.472 1.00 14.40 N flip ATOM 0 H HIS A 27 -12.179 9.634 1.391 1.00 10.10 H new ATOM 0 HA HIS A 27 -11.066 11.144 3.671 1.00 70.35 H new ATOM 0 HB2 HIS A 27 -10.036 8.563 2.454 1.00 32.02 H new ATOM 0 HB3 HIS A 27 -9.124 9.587 3.546 1.00 32.02 H new ATOM 0 HD2 HIS A 27 -10.968 10.073 5.985 1.00 24.41 H new ATOM 0 HE1 HIS A 27 -11.570 5.873 6.208 1.00 61.01 H new ATOM 0 HE2 HIS A 27 -11.816 8.125 7.423 1.00 14.40 H new ATOM 469 N PRO A 28 -10.563 12.515 1.436 1.00 64.45 N ATOM 470 CA PRO A 28 -9.909 13.291 0.386 1.00 30.14 C ATOM 471 C PRO A 28 -8.467 13.662 0.697 1.00 1.34 C ATOM 472 O PRO A 28 -7.697 13.927 -0.229 1.00 22.24 O ATOM 473 CB PRO A 28 -10.786 14.525 0.180 1.00 51.14 C ATOM 474 CG PRO A 28 -11.484 14.704 1.524 1.00 34.42 C ATOM 475 CD PRO A 28 -11.650 13.273 2.034 1.00 73.33 C ATOM 0 HA PRO A 28 -9.824 12.693 -0.521 1.00 30.14 H new ATOM 0 HB2 PRO A 28 -10.191 15.400 -0.081 1.00 51.14 H new ATOM 0 HB3 PRO A 28 -11.504 14.376 -0.627 1.00 51.14 H new ATOM 0 HG2 PRO A 28 -10.888 15.307 2.209 1.00 34.42 H new ATOM 0 HG3 PRO A 28 -12.446 15.205 1.413 1.00 34.42 H new ATOM 0 HD2 PRO A 28 -11.601 13.237 3.122 1.00 73.33 H new ATOM 0 HD3 PRO A 28 -12.618 12.864 1.745 1.00 73.33 H new ATOM 483 N THR A 29 -8.081 13.632 1.969 1.00 42.54 N ATOM 484 CA THR A 29 -6.741 13.967 2.408 1.00 42.32 C ATOM 485 C THR A 29 -5.821 12.734 2.414 1.00 4.42 C ATOM 486 O THR A 29 -4.656 12.828 2.809 1.00 41.42 O ATOM 487 CB THR A 29 -6.871 14.662 3.773 1.00 53.25 C ATOM 488 OG1 THR A 29 -7.456 13.796 4.722 1.00 71.13 O ATOM 489 CG2 THR A 29 -7.762 15.916 3.709 1.00 30.23 C ATOM 0 H THR A 29 -8.705 13.369 2.732 1.00 42.54 H new ATOM 0 HA THR A 29 -6.256 14.652 1.713 1.00 42.32 H new ATOM 0 HB THR A 29 -5.857 14.942 4.060 1.00 53.25 H new ATOM 0 HG1 THR A 29 -7.528 14.256 5.584 1.00 71.13 H new ATOM 0 HG21 THR A 29 -7.822 16.371 4.698 1.00 30.23 H new ATOM 0 HG22 THR A 29 -7.334 16.631 3.006 1.00 30.23 H new ATOM 0 HG23 THR A 29 -8.762 15.635 3.377 1.00 30.23 H new ATOM 497 N LYS A 30 -6.320 11.565 1.985 1.00 14.51 N ATOM 498 CA LYS A 30 -5.554 10.330 1.934 1.00 71.25 C ATOM 499 C LYS A 30 -5.310 9.953 0.490 1.00 10.24 C ATOM 500 O LYS A 30 -6.128 10.192 -0.402 1.00 2.30 O ATOM 501 CB LYS A 30 -6.287 9.178 2.634 1.00 22.40 C ATOM 502 CG LYS A 30 -6.451 9.342 4.148 1.00 4.52 C ATOM 503 CD LYS A 30 -5.122 9.590 4.876 1.00 23.14 C ATOM 504 CE LYS A 30 -5.095 9.145 6.343 1.00 65.31 C ATOM 505 NZ LYS A 30 -6.418 9.217 7.003 1.00 65.01 N ATOM 0 H LYS A 30 -7.281 11.459 1.661 1.00 14.51 H new ATOM 0 HA LYS A 30 -4.610 10.499 2.453 1.00 71.25 H new ATOM 0 HB2 LYS A 30 -7.275 9.070 2.186 1.00 22.40 H new ATOM 0 HB3 LYS A 30 -5.746 8.252 2.440 1.00 22.40 H new ATOM 0 HG2 LYS A 30 -7.127 10.174 4.346 1.00 4.52 H new ATOM 0 HG3 LYS A 30 -6.920 8.446 4.556 1.00 4.52 H new ATOM 0 HD2 LYS A 30 -4.328 9.070 4.339 1.00 23.14 H new ATOM 0 HD3 LYS A 30 -4.893 10.655 4.830 1.00 23.14 H new ATOM 0 HE2 LYS A 30 -4.725 8.121 6.398 1.00 65.31 H new ATOM 0 HE3 LYS A 30 -4.389 9.769 6.891 1.00 65.31 H new ATOM 0 HZ1 LYS A 30 -6.291 9.221 8.035 1.00 65.01 H new ATOM 0 HZ2 LYS A 30 -6.905 10.088 6.710 1.00 65.01 H new ATOM 0 HZ3 LYS A 30 -6.989 8.392 6.728 1.00 65.01 H new ATOM 519 N ILE A 31 -4.191 9.284 0.290 1.00 62.44 N ATOM 520 CA ILE A 31 -3.711 8.797 -0.973 1.00 43.33 C ATOM 521 C ILE A 31 -3.860 7.266 -0.910 1.00 5.53 C ATOM 522 O ILE A 31 -3.342 6.660 0.038 1.00 62.04 O ATOM 523 CB ILE A 31 -2.248 9.252 -1.175 1.00 5.13 C ATOM 524 CG1 ILE A 31 -2.083 10.796 -1.082 1.00 2.52 C ATOM 525 CG2 ILE A 31 -1.772 8.765 -2.551 1.00 21.41 C ATOM 526 CD1 ILE A 31 -0.634 11.244 -1.187 1.00 43.22 C ATOM 0 H ILE A 31 -3.559 9.056 1.058 1.00 62.44 H new ATOM 0 HA ILE A 31 -4.268 9.187 -1.825 1.00 43.33 H new ATOM 0 HB ILE A 31 -1.647 8.820 -0.375 1.00 5.13 H new ATOM 0 HG12 ILE A 31 -2.662 11.267 -1.877 1.00 2.52 H new ATOM 0 HG13 ILE A 31 -2.498 11.144 -0.136 1.00 2.52 H new ATOM 0 HG21 ILE A 31 -0.740 9.078 -2.711 1.00 21.41 H new ATOM 0 HG22 ILE A 31 -1.832 7.677 -2.593 1.00 21.41 H new ATOM 0 HG23 ILE A 31 -2.405 9.194 -3.328 1.00 21.41 H new ATOM 0 HD11 ILE A 31 -0.583 12.330 -1.115 1.00 43.22 H new ATOM 0 HD12 ILE A 31 -0.056 10.799 -0.377 1.00 43.22 H new ATOM 0 HD13 ILE A 31 -0.223 10.924 -2.144 1.00 43.22 H new ATOM 538 N PRO A 32 -4.562 6.640 -1.875 1.00 50.32 N ATOM 539 CA PRO A 32 -4.749 5.194 -1.948 1.00 30.14 C ATOM 540 C PRO A 32 -3.495 4.513 -2.539 1.00 12.24 C ATOM 541 O PRO A 32 -3.251 4.548 -3.752 1.00 1.14 O ATOM 542 CB PRO A 32 -5.976 5.013 -2.842 1.00 31.02 C ATOM 543 CG PRO A 32 -5.991 6.235 -3.764 1.00 30.22 C ATOM 544 CD PRO A 32 -5.229 7.303 -2.990 1.00 1.34 C ATOM 0 HA PRO A 32 -4.895 4.735 -0.970 1.00 30.14 H new ATOM 0 HB2 PRO A 32 -5.911 4.089 -3.416 1.00 31.02 H new ATOM 0 HB3 PRO A 32 -6.889 4.957 -2.249 1.00 31.02 H new ATOM 0 HG2 PRO A 32 -5.512 6.018 -4.719 1.00 30.22 H new ATOM 0 HG3 PRO A 32 -7.010 6.554 -3.984 1.00 30.22 H new ATOM 0 HD2 PRO A 32 -4.501 7.798 -3.633 1.00 1.34 H new ATOM 0 HD3 PRO A 32 -5.910 8.073 -2.627 1.00 1.34 H new ATOM 552 N VAL A 33 -2.723 3.819 -1.698 1.00 64.32 N ATOM 553 CA VAL A 33 -1.494 3.134 -2.074 1.00 2.11 C ATOM 554 C VAL A 33 -1.623 1.660 -1.707 1.00 32.40 C ATOM 555 O VAL A 33 -2.208 1.340 -0.669 1.00 42.31 O ATOM 556 CB VAL A 33 -0.307 3.869 -1.396 1.00 10.42 C ATOM 557 CG1 VAL A 33 -0.573 5.360 -1.129 1.00 30.24 C ATOM 558 CG2 VAL A 33 0.167 3.263 -0.066 1.00 50.51 C ATOM 0 H VAL A 33 -2.947 3.718 -0.708 1.00 64.32 H new ATOM 0 HA VAL A 33 -1.306 3.160 -3.147 1.00 2.11 H new ATOM 0 HB VAL A 33 0.475 3.743 -2.145 1.00 10.42 H new ATOM 0 HG11 VAL A 33 0.301 5.806 -0.654 1.00 30.24 H new ATOM 0 HG12 VAL A 33 -0.773 5.869 -2.072 1.00 30.24 H new ATOM 0 HG13 VAL A 33 -1.436 5.464 -0.471 1.00 30.24 H new ATOM 0 HG21 VAL A 33 0.999 3.849 0.325 1.00 50.51 H new ATOM 0 HG22 VAL A 33 -0.653 3.274 0.652 1.00 50.51 H new ATOM 0 HG23 VAL A 33 0.493 2.236 -0.230 1.00 50.51 H new ATOM 568 N ILE A 34 -1.123 0.743 -2.526 1.00 51.31 N ATOM 569 CA ILE A 34 -1.196 -0.687 -2.256 1.00 3.14 C ATOM 570 C ILE A 34 0.245 -1.136 -2.115 1.00 5.31 C ATOM 571 O ILE A 34 1.046 -0.945 -3.028 1.00 72.15 O ATOM 572 CB ILE A 34 -2.013 -1.430 -3.324 1.00 43.14 C ATOM 573 CG1 ILE A 34 -3.360 -0.694 -3.535 1.00 11.53 C ATOM 574 CG2 ILE A 34 -2.185 -2.900 -2.909 1.00 53.11 C ATOM 575 CD1 ILE A 34 -4.439 -1.443 -4.305 1.00 51.54 C ATOM 0 H ILE A 34 -0.653 0.972 -3.402 1.00 51.31 H new ATOM 0 HA ILE A 34 -1.741 -0.921 -1.341 1.00 3.14 H new ATOM 0 HB ILE A 34 -1.493 -1.433 -4.282 1.00 43.14 H new ATOM 0 HG12 ILE A 34 -3.761 -0.433 -2.556 1.00 11.53 H new ATOM 0 HG13 ILE A 34 -3.158 0.241 -4.057 1.00 11.53 H new ATOM 0 HG21 ILE A 34 -2.765 -3.427 -3.667 1.00 53.11 H new ATOM 0 HG22 ILE A 34 -1.205 -3.368 -2.812 1.00 53.11 H new ATOM 0 HG23 ILE A 34 -2.707 -2.950 -1.954 1.00 53.11 H new ATOM 0 HD11 ILE A 34 -5.330 -0.819 -4.383 1.00 51.54 H new ATOM 0 HD12 ILE A 34 -4.074 -1.681 -5.304 1.00 51.54 H new ATOM 0 HD13 ILE A 34 -4.687 -2.365 -3.780 1.00 51.54 H new ATOM 587 N ILE A 35 0.557 -1.662 -0.937 1.00 12.40 N ATOM 588 CA ILE A 35 1.863 -2.140 -0.535 1.00 50.11 C ATOM 589 C ILE A 35 1.810 -3.660 -0.489 1.00 22.24 C ATOM 590 O ILE A 35 0.911 -4.228 0.135 1.00 72.25 O ATOM 591 CB ILE A 35 2.200 -1.466 0.817 1.00 32.23 C ATOM 592 CG1 ILE A 35 2.622 -0.007 0.536 1.00 72.31 C ATOM 593 CG2 ILE A 35 3.261 -2.194 1.664 1.00 45.55 C ATOM 594 CD1 ILE A 35 2.476 0.890 1.761 1.00 23.11 C ATOM 0 H ILE A 35 -0.138 -1.770 -0.199 1.00 12.40 H new ATOM 0 HA ILE A 35 2.662 -1.881 -1.230 1.00 50.11 H new ATOM 0 HB ILE A 35 1.299 -1.510 1.429 1.00 32.23 H new ATOM 0 HG12 ILE A 35 3.659 0.009 0.199 1.00 72.31 H new ATOM 0 HG13 ILE A 35 2.016 0.393 -0.277 1.00 72.31 H new ATOM 0 HG21 ILE A 35 3.427 -1.644 2.590 1.00 45.55 H new ATOM 0 HG22 ILE A 35 2.913 -3.200 1.897 1.00 45.55 H new ATOM 0 HG23 ILE A 35 4.195 -2.253 1.105 1.00 45.55 H new ATOM 0 HD11 ILE A 35 2.786 1.904 1.508 1.00 23.11 H new ATOM 0 HD12 ILE A 35 1.435 0.899 2.084 1.00 23.11 H new ATOM 0 HD13 ILE A 35 3.103 0.509 2.567 1.00 23.11 H new ATOM 606 N GLU A 36 2.759 -4.330 -1.134 1.00 5.41 N ATOM 607 CA GLU A 36 2.816 -5.786 -1.125 1.00 3.34 C ATOM 608 C GLU A 36 4.283 -6.226 -1.097 1.00 61.22 C ATOM 609 O GLU A 36 5.176 -5.488 -1.527 1.00 60.23 O ATOM 610 CB GLU A 36 2.016 -6.322 -2.325 1.00 1.01 C ATOM 611 CG GLU A 36 1.673 -7.815 -2.225 1.00 44.34 C ATOM 612 CD GLU A 36 0.456 -8.199 -3.080 1.00 62.11 C ATOM 613 OE1 GLU A 36 0.445 -7.956 -4.313 1.00 55.13 O ATOM 614 OE2 GLU A 36 -0.495 -8.805 -2.529 1.00 73.24 O ATOM 0 H GLU A 36 3.502 -3.885 -1.672 1.00 5.41 H new ATOM 0 HA GLU A 36 2.353 -6.208 -0.233 1.00 3.34 H new ATOM 0 HB2 GLU A 36 1.092 -5.752 -2.417 1.00 1.01 H new ATOM 0 HB3 GLU A 36 2.588 -6.151 -3.237 1.00 1.01 H new ATOM 0 HG2 GLU A 36 2.534 -8.404 -2.540 1.00 44.34 H new ATOM 0 HG3 GLU A 36 1.476 -8.070 -1.184 1.00 44.34 H new ATOM 621 N ARG A 37 4.555 -7.400 -0.525 1.00 22.11 N ATOM 622 CA ARG A 37 5.905 -7.925 -0.459 1.00 42.12 C ATOM 623 C ARG A 37 6.226 -8.457 -1.850 1.00 55.14 C ATOM 624 O ARG A 37 5.384 -9.160 -2.422 1.00 64.54 O ATOM 625 CB ARG A 37 5.945 -9.047 0.584 1.00 11.35 C ATOM 626 CG ARG A 37 7.375 -9.583 0.756 1.00 44.20 C ATOM 627 CD ARG A 37 7.403 -11.043 1.193 1.00 24.42 C ATOM 628 NE ARG A 37 6.759 -11.888 0.179 1.00 53.24 N ATOM 629 CZ ARG A 37 6.681 -13.222 0.215 1.00 75.30 C ATOM 630 NH1 ARG A 37 7.265 -13.902 1.198 1.00 53.22 N ATOM 631 NH2 ARG A 37 5.963 -13.848 -0.703 1.00 31.41 N ATOM 0 H ARG A 37 3.849 -8.002 -0.101 1.00 22.11 H new ATOM 0 HA ARG A 37 6.634 -7.169 -0.167 1.00 42.12 H new ATOM 0 HB2 ARG A 37 5.574 -8.675 1.539 1.00 11.35 H new ATOM 0 HB3 ARG A 37 5.283 -9.857 0.279 1.00 11.35 H new ATOM 0 HG2 ARG A 37 7.914 -9.479 -0.185 1.00 44.20 H new ATOM 0 HG3 ARG A 37 7.901 -8.976 1.493 1.00 44.20 H new ATOM 0 HD2 ARG A 37 8.433 -11.365 1.345 1.00 24.42 H new ATOM 0 HD3 ARG A 37 6.890 -11.154 2.149 1.00 24.42 H new ATOM 0 HE ARG A 37 6.335 -11.417 -0.620 1.00 53.24 H new ATOM 0 HH11 ARG A 37 7.775 -13.406 1.929 1.00 53.22 H new ATOM 0 HH12 ARG A 37 7.203 -14.920 1.221 1.00 53.22 H new ATOM 0 HH21 ARG A 37 5.479 -13.313 -1.424 1.00 31.41 H new ATOM 0 HH22 ARG A 37 5.893 -14.866 -0.690 1.00 31.41 H new ATOM 645 N TYR A 38 7.417 -8.162 -2.371 1.00 31.32 N ATOM 646 CA TYR A 38 7.841 -8.639 -3.676 1.00 12.22 C ATOM 647 C TYR A 38 7.631 -10.143 -3.747 1.00 55.20 C ATOM 648 O TYR A 38 7.948 -10.858 -2.795 1.00 1.15 O ATOM 649 CB TYR A 38 9.303 -8.258 -3.917 1.00 2.43 C ATOM 650 CG TYR A 38 9.889 -8.710 -5.240 1.00 44.02 C ATOM 651 CD1 TYR A 38 9.294 -8.308 -6.452 1.00 42.23 C ATOM 652 CD2 TYR A 38 11.085 -9.456 -5.259 1.00 44.13 C ATOM 653 CE1 TYR A 38 9.914 -8.605 -7.678 1.00 32.54 C ATOM 654 CE2 TYR A 38 11.717 -9.749 -6.481 1.00 43.02 C ATOM 655 CZ TYR A 38 11.148 -9.290 -7.691 1.00 22.23 C ATOM 656 OH TYR A 38 11.754 -9.550 -8.879 1.00 64.14 O ATOM 0 H TYR A 38 8.111 -7.585 -1.896 1.00 31.32 H new ATOM 0 HA TYR A 38 7.246 -8.173 -4.461 1.00 12.22 H new ATOM 0 HB2 TYR A 38 9.392 -7.174 -3.852 1.00 2.43 H new ATOM 0 HB3 TYR A 38 9.906 -8.676 -3.111 1.00 2.43 H new ATOM 0 HD1 TYR A 38 8.358 -7.770 -6.439 1.00 42.23 H new ATOM 0 HD2 TYR A 38 11.517 -9.804 -4.332 1.00 44.13 H new ATOM 0 HE1 TYR A 38 9.448 -8.310 -8.607 1.00 32.54 H new ATOM 0 HE2 TYR A 38 12.632 -10.322 -6.495 1.00 43.02 H new ATOM 0 HH TYR A 38 12.595 -10.027 -8.720 1.00 64.14 H new ATOM 666 N LYS A 39 7.113 -10.638 -4.872 1.00 62.41 N ATOM 667 CA LYS A 39 6.868 -12.067 -5.041 1.00 14.21 C ATOM 668 C LYS A 39 8.138 -12.887 -4.818 1.00 42.43 C ATOM 669 O LYS A 39 8.051 -13.987 -4.270 1.00 13.24 O ATOM 670 CB LYS A 39 6.224 -12.347 -6.415 1.00 53.12 C ATOM 671 CG LYS A 39 7.171 -12.051 -7.597 1.00 44.30 C ATOM 672 CD LYS A 39 6.512 -12.073 -8.982 1.00 71.31 C ATOM 673 CE LYS A 39 6.171 -13.477 -9.506 1.00 42.34 C ATOM 674 NZ LYS A 39 4.863 -13.975 -9.032 1.00 32.21 N ATOM 0 H LYS A 39 6.856 -10.069 -5.678 1.00 62.41 H new ATOM 0 HA LYS A 39 6.160 -12.385 -4.276 1.00 14.21 H new ATOM 0 HB2 LYS A 39 5.913 -13.391 -6.458 1.00 53.12 H new ATOM 0 HB3 LYS A 39 5.323 -11.742 -6.518 1.00 53.12 H new ATOM 0 HG2 LYS A 39 7.623 -11.071 -7.443 1.00 44.30 H new ATOM 0 HG3 LYS A 39 7.980 -12.781 -7.585 1.00 44.30 H new ATOM 0 HD2 LYS A 39 5.597 -11.482 -8.944 1.00 71.31 H new ATOM 0 HD3 LYS A 39 7.177 -11.585 -9.694 1.00 71.31 H new ATOM 0 HE2 LYS A 39 6.173 -13.461 -10.596 1.00 42.34 H new ATOM 0 HE3 LYS A 39 6.951 -14.172 -9.196 1.00 42.34 H new ATOM 0 HZ1 LYS A 39 4.479 -14.653 -9.721 1.00 32.21 H new ATOM 0 HZ2 LYS A 39 4.983 -14.446 -8.112 1.00 32.21 H new ATOM 0 HZ3 LYS A 39 4.204 -13.177 -8.929 1.00 32.21 H new ATOM 688 N GLY A 40 9.295 -12.333 -5.196 1.00 23.34 N ATOM 689 CA GLY A 40 10.589 -12.972 -5.063 1.00 32.44 C ATOM 690 C GLY A 40 11.187 -12.884 -3.665 1.00 61.23 C ATOM 691 O GLY A 40 12.188 -13.553 -3.423 1.00 33.53 O ATOM 0 H GLY A 40 9.348 -11.403 -5.613 1.00 23.34 H new ATOM 0 HA2 GLY A 40 10.494 -14.022 -5.340 1.00 32.44 H new ATOM 0 HA3 GLY A 40 11.281 -12.517 -5.772 1.00 32.44 H new ATOM 695 N GLU A 41 10.631 -12.075 -2.764 1.00 1.01 N ATOM 696 CA GLU A 41 11.131 -11.917 -1.411 1.00 24.22 C ATOM 697 C GLU A 41 10.980 -13.244 -0.665 1.00 2.24 C ATOM 698 O GLU A 41 10.024 -13.997 -0.876 1.00 15.21 O ATOM 699 CB GLU A 41 10.361 -10.757 -0.791 1.00 54.44 C ATOM 700 CG GLU A 41 10.913 -10.243 0.536 1.00 71.43 C ATOM 701 CD GLU A 41 12.438 -10.199 0.569 1.00 61.41 C ATOM 702 OE1 GLU A 41 13.063 -9.289 -0.011 1.00 3.04 O ATOM 703 OE2 GLU A 41 13.008 -11.159 1.123 1.00 31.11 O ATOM 0 H GLU A 41 9.809 -11.505 -2.963 1.00 1.01 H new ATOM 0 HA GLU A 41 12.193 -11.676 -1.368 1.00 24.22 H new ATOM 0 HB2 GLU A 41 10.344 -9.932 -1.503 1.00 54.44 H new ATOM 0 HB3 GLU A 41 9.327 -11.068 -0.640 1.00 54.44 H new ATOM 0 HG2 GLU A 41 10.522 -9.243 0.723 1.00 71.43 H new ATOM 0 HG3 GLU A 41 10.556 -10.882 1.344 1.00 71.43 H new ATOM 710 N LYS A 42 11.956 -13.543 0.187 1.00 31.24 N ATOM 711 CA LYS A 42 12.038 -14.752 0.995 1.00 55.10 C ATOM 712 C LYS A 42 12.481 -14.410 2.410 1.00 51.44 C ATOM 713 O LYS A 42 11.970 -15.030 3.350 1.00 1.22 O ATOM 714 CB LYS A 42 13.044 -15.727 0.352 1.00 51.11 C ATOM 715 CG LYS A 42 12.521 -16.451 -0.902 1.00 21.53 C ATOM 716 CD LYS A 42 11.497 -17.567 -0.637 1.00 51.02 C ATOM 717 CE LYS A 42 12.096 -18.912 -0.185 1.00 20.15 C ATOM 718 NZ LYS A 42 12.545 -18.944 1.225 1.00 21.41 N ATOM 0 H LYS A 42 12.748 -12.918 0.339 1.00 31.24 H new ATOM 0 HA LYS A 42 11.055 -15.220 1.042 1.00 55.10 H new ATOM 0 HB2 LYS A 42 13.946 -15.176 0.088 1.00 51.11 H new ATOM 0 HB3 LYS A 42 13.332 -16.473 1.093 1.00 51.11 H new ATOM 0 HG2 LYS A 42 12.067 -15.714 -1.564 1.00 21.53 H new ATOM 0 HG3 LYS A 42 13.370 -16.879 -1.435 1.00 21.53 H new ATOM 0 HD2 LYS A 42 10.799 -17.224 0.126 1.00 51.02 H new ATOM 0 HD3 LYS A 42 10.920 -17.732 -1.547 1.00 51.02 H new ATOM 0 HE2 LYS A 42 11.352 -19.694 -0.333 1.00 20.15 H new ATOM 0 HE3 LYS A 42 12.943 -19.152 -0.828 1.00 20.15 H new ATOM 0 HZ1 LYS A 42 12.482 -19.917 1.587 1.00 21.41 H new ATOM 0 HZ2 LYS A 42 13.530 -18.616 1.283 1.00 21.41 H new ATOM 0 HZ3 LYS A 42 11.938 -18.322 1.797 1.00 21.41 H new ATOM 732 N GLN A 43 13.444 -13.499 2.579 1.00 62.22 N ATOM 733 CA GLN A 43 13.909 -13.130 3.898 1.00 54.21 C ATOM 734 C GLN A 43 12.883 -12.248 4.592 1.00 71.14 C ATOM 735 O GLN A 43 12.663 -12.455 5.779 1.00 35.55 O ATOM 736 CB GLN A 43 15.305 -12.476 3.907 1.00 0.24 C ATOM 737 CG GLN A 43 15.552 -11.297 2.952 1.00 71.12 C ATOM 738 CD GLN A 43 16.187 -11.667 1.603 1.00 61.54 C ATOM 739 OE1 GLN A 43 16.849 -10.842 0.977 1.00 0.32 O ATOM 740 NE2 GLN A 43 16.071 -12.892 1.117 1.00 52.31 N ATOM 0 H GLN A 43 13.909 -13.010 1.814 1.00 62.22 H new ATOM 0 HA GLN A 43 14.022 -14.060 4.456 1.00 54.21 H new ATOM 0 HB2 GLN A 43 15.507 -12.133 4.922 1.00 0.24 H new ATOM 0 HB3 GLN A 43 16.038 -13.250 3.680 1.00 0.24 H new ATOM 0 HG2 GLN A 43 14.601 -10.799 2.763 1.00 71.12 H new ATOM 0 HG3 GLN A 43 16.197 -10.574 3.452 1.00 71.12 H new ATOM 0 HE21 GLN A 43 15.526 -13.591 1.621 1.00 52.31 H new ATOM 0 HE22 GLN A 43 16.527 -13.137 0.238 1.00 52.31 H new ATOM 749 N LEU A 44 12.238 -11.303 3.892 1.00 72.32 N ATOM 750 CA LEU A 44 11.280 -10.434 4.589 1.00 24.12 C ATOM 751 C LEU A 44 9.902 -11.091 4.719 1.00 12.23 C ATOM 752 O LEU A 44 9.495 -11.832 3.813 1.00 23.15 O ATOM 753 CB LEU A 44 11.135 -9.065 3.910 1.00 0.33 C ATOM 754 CG LEU A 44 12.436 -8.249 3.843 1.00 20.44 C ATOM 755 CD1 LEU A 44 12.249 -7.088 2.869 1.00 14.14 C ATOM 756 CD2 LEU A 44 12.816 -7.673 5.211 1.00 31.23 C ATOM 0 H LEU A 44 12.353 -11.125 2.894 1.00 72.32 H new ATOM 0 HA LEU A 44 11.690 -10.280 5.587 1.00 24.12 H new ATOM 0 HB2 LEU A 44 10.761 -9.213 2.897 1.00 0.33 H new ATOM 0 HB3 LEU A 44 10.384 -8.485 4.446 1.00 0.33 H new ATOM 0 HG LEU A 44 13.232 -8.917 3.513 1.00 20.44 H new ATOM 0 HD11 LEU A 44 13.169 -6.505 2.817 1.00 14.14 H new ATOM 0 HD12 LEU A 44 12.010 -7.478 1.880 1.00 14.14 H new ATOM 0 HD13 LEU A 44 11.435 -6.451 3.214 1.00 14.14 H new ATOM 0 HD21 LEU A 44 13.741 -7.103 5.122 1.00 31.23 H new ATOM 0 HD22 LEU A 44 12.019 -7.019 5.564 1.00 31.23 H new ATOM 0 HD23 LEU A 44 12.959 -8.487 5.922 1.00 31.23 H new ATOM 768 N PRO A 45 9.157 -10.817 5.806 1.00 71.34 N ATOM 769 CA PRO A 45 7.826 -11.371 6.021 1.00 35.22 C ATOM 770 C PRO A 45 6.788 -10.666 5.127 1.00 23.15 C ATOM 771 O PRO A 45 7.075 -9.650 4.482 1.00 20.41 O ATOM 772 CB PRO A 45 7.560 -11.202 7.518 1.00 12.33 C ATOM 773 CG PRO A 45 8.372 -9.969 7.895 1.00 75.31 C ATOM 774 CD PRO A 45 9.552 -9.975 6.927 1.00 0.22 C ATOM 0 HA PRO A 45 7.753 -12.422 5.743 1.00 35.22 H new ATOM 0 HB2 PRO A 45 6.499 -11.060 7.722 1.00 12.33 H new ATOM 0 HB3 PRO A 45 7.878 -12.079 8.082 1.00 12.33 H new ATOM 0 HG2 PRO A 45 7.781 -9.059 7.794 1.00 75.31 H new ATOM 0 HG3 PRO A 45 8.708 -10.017 8.931 1.00 75.31 H new ATOM 0 HD2 PRO A 45 9.785 -8.964 6.591 1.00 0.22 H new ATOM 0 HD3 PRO A 45 10.448 -10.365 7.409 1.00 0.22 H new ATOM 782 N VAL A 46 5.573 -11.214 5.074 1.00 75.03 N ATOM 783 CA VAL A 46 4.463 -10.709 4.267 1.00 15.51 C ATOM 784 C VAL A 46 3.615 -9.707 5.062 1.00 72.13 C ATOM 785 O VAL A 46 3.294 -9.935 6.233 1.00 72.34 O ATOM 786 CB VAL A 46 3.627 -11.912 3.769 1.00 13.45 C ATOM 787 CG1 VAL A 46 2.480 -11.490 2.841 1.00 71.24 C ATOM 788 CG2 VAL A 46 4.501 -12.896 2.977 1.00 42.14 C ATOM 0 H VAL A 46 5.328 -12.047 5.608 1.00 75.03 H new ATOM 0 HA VAL A 46 4.848 -10.167 3.404 1.00 15.51 H new ATOM 0 HB VAL A 46 3.220 -12.375 4.668 1.00 13.45 H new ATOM 0 HG11 VAL A 46 1.927 -12.373 2.522 1.00 71.24 H new ATOM 0 HG12 VAL A 46 1.810 -10.815 3.374 1.00 71.24 H new ATOM 0 HG13 VAL A 46 2.887 -10.981 1.967 1.00 71.24 H new ATOM 0 HG21 VAL A 46 3.891 -13.733 2.638 1.00 42.14 H new ATOM 0 HG22 VAL A 46 4.931 -12.387 2.114 1.00 42.14 H new ATOM 0 HG23 VAL A 46 5.302 -13.267 3.616 1.00 42.14 H new ATOM 798 N LEU A 47 3.238 -8.600 4.414 1.00 24.33 N ATOM 799 CA LEU A 47 2.420 -7.551 5.003 1.00 13.30 C ATOM 800 C LEU A 47 1.034 -8.137 5.265 1.00 64.01 C ATOM 801 O LEU A 47 0.467 -8.809 4.406 1.00 73.43 O ATOM 802 CB LEU A 47 2.349 -6.327 4.067 1.00 74.42 C ATOM 803 CG LEU A 47 2.471 -4.948 4.740 1.00 51.43 C ATOM 804 CD1 LEU A 47 1.352 -4.666 5.740 1.00 21.32 C ATOM 805 CD2 LEU A 47 3.820 -4.743 5.437 1.00 33.44 C ATOM 0 H LEU A 47 3.501 -8.411 3.447 1.00 24.33 H new ATOM 0 HA LEU A 47 2.856 -7.204 5.940 1.00 13.30 H new ATOM 0 HB2 LEU A 47 3.142 -6.417 3.325 1.00 74.42 H new ATOM 0 HB3 LEU A 47 1.402 -6.362 3.528 1.00 74.42 H new ATOM 0 HG LEU A 47 2.387 -4.240 3.915 1.00 51.43 H new ATOM 0 HD11 LEU A 47 1.496 -3.679 6.179 1.00 21.32 H new ATOM 0 HD12 LEU A 47 0.390 -4.699 5.228 1.00 21.32 H new ATOM 0 HD13 LEU A 47 1.370 -5.419 6.528 1.00 21.32 H new ATOM 0 HD21 LEU A 47 3.847 -3.753 5.893 1.00 33.44 H new ATOM 0 HD22 LEU A 47 3.950 -5.502 6.209 1.00 33.44 H new ATOM 0 HD23 LEU A 47 4.624 -4.828 4.706 1.00 33.44 H new ATOM 817 N ASP A 48 0.535 -7.884 6.467 1.00 33.32 N ATOM 818 CA ASP A 48 -0.744 -8.299 7.055 1.00 43.31 C ATOM 819 C ASP A 48 -1.980 -7.675 6.407 1.00 53.12 C ATOM 820 O ASP A 48 -3.095 -8.163 6.600 1.00 32.30 O ATOM 821 CB ASP A 48 -0.730 -7.971 8.556 1.00 73.45 C ATOM 822 CG ASP A 48 -0.211 -6.561 8.841 1.00 63.15 C ATOM 823 OD1 ASP A 48 1.035 -6.395 8.821 1.00 22.43 O ATOM 824 OD2 ASP A 48 -1.007 -5.609 8.958 1.00 15.42 O ATOM 0 H ASP A 48 1.070 -7.323 7.130 1.00 33.32 H new ATOM 0 HA ASP A 48 -0.829 -9.371 6.874 1.00 43.31 H new ATOM 0 HB2 ASP A 48 -1.739 -8.071 8.956 1.00 73.45 H new ATOM 0 HB3 ASP A 48 -0.106 -8.697 9.078 1.00 73.45 H new ATOM 829 N LYS A 49 -1.810 -6.609 5.633 1.00 44.41 N ATOM 830 CA LYS A 49 -2.854 -5.895 4.904 1.00 35.32 C ATOM 831 C LYS A 49 -2.289 -5.668 3.502 1.00 21.02 C ATOM 832 O LYS A 49 -1.179 -6.126 3.208 1.00 74.32 O ATOM 833 CB LYS A 49 -3.262 -4.595 5.632 1.00 42.35 C ATOM 834 CG LYS A 49 -3.918 -4.803 7.013 1.00 52.25 C ATOM 835 CD LYS A 49 -5.282 -5.517 7.016 1.00 52.21 C ATOM 836 CE LYS A 49 -6.519 -4.605 7.070 1.00 53.53 C ATOM 837 NZ LYS A 49 -6.749 -3.792 5.855 1.00 23.13 N ATOM 0 H LYS A 49 -0.889 -6.196 5.489 1.00 44.41 H new ATOM 0 HA LYS A 49 -3.783 -6.462 4.844 1.00 35.32 H new ATOM 0 HB2 LYS A 49 -2.376 -3.972 5.757 1.00 42.35 H new ATOM 0 HB3 LYS A 49 -3.954 -4.042 4.997 1.00 42.35 H new ATOM 0 HG2 LYS A 49 -3.231 -5.375 7.636 1.00 52.25 H new ATOM 0 HG3 LYS A 49 -4.040 -3.828 7.485 1.00 52.25 H new ATOM 0 HD2 LYS A 49 -5.349 -6.134 6.120 1.00 52.21 H new ATOM 0 HD3 LYS A 49 -5.315 -6.192 7.871 1.00 52.21 H new ATOM 0 HE2 LYS A 49 -7.400 -5.222 7.248 1.00 53.53 H new ATOM 0 HE3 LYS A 49 -6.421 -3.935 7.924 1.00 53.53 H new ATOM 0 HZ1 LYS A 49 -7.458 -3.059 6.057 1.00 23.13 H new ATOM 0 HZ2 LYS A 49 -5.858 -3.341 5.565 1.00 23.13 H new ATOM 0 HZ3 LYS A 49 -7.093 -4.404 5.088 1.00 23.13 H new ATOM 851 N THR A 50 -3.040 -5.018 2.618 1.00 62.41 N ATOM 852 CA THR A 50 -2.578 -4.768 1.255 1.00 34.01 C ATOM 853 C THR A 50 -2.793 -3.288 0.916 1.00 75.05 C ATOM 854 O THR A 50 -1.826 -2.569 0.647 1.00 50.23 O ATOM 855 CB THR A 50 -3.225 -5.779 0.280 1.00 74.13 C ATOM 856 OG1 THR A 50 -3.499 -7.029 0.902 1.00 54.53 O ATOM 857 CG2 THR A 50 -2.320 -6.085 -0.916 1.00 24.03 C ATOM 0 H THR A 50 -3.971 -4.655 2.820 1.00 62.41 H new ATOM 0 HA THR A 50 -1.506 -4.940 1.155 1.00 34.01 H new ATOM 0 HB THR A 50 -4.149 -5.299 -0.044 1.00 74.13 H new ATOM 0 HG1 THR A 50 -3.908 -7.636 0.250 1.00 54.53 H new ATOM 0 HG21 THR A 50 -2.815 -6.799 -1.574 1.00 24.03 H new ATOM 0 HG22 THR A 50 -2.119 -5.165 -1.465 1.00 24.03 H new ATOM 0 HG23 THR A 50 -1.380 -6.509 -0.562 1.00 24.03 H new ATOM 865 N LYS A 51 -4.039 -2.806 0.944 1.00 41.35 N ATOM 866 CA LYS A 51 -4.358 -1.410 0.645 1.00 72.05 C ATOM 867 C LYS A 51 -4.142 -0.532 1.875 1.00 21.00 C ATOM 868 O LYS A 51 -4.671 -0.839 2.942 1.00 70.21 O ATOM 869 CB LYS A 51 -5.817 -1.315 0.177 1.00 62.02 C ATOM 870 CG LYS A 51 -6.005 -1.744 -1.288 1.00 3.10 C ATOM 871 CD LYS A 51 -6.993 -2.888 -1.508 1.00 31.33 C ATOM 872 CE LYS A 51 -8.414 -2.555 -1.044 1.00 44.11 C ATOM 873 NZ LYS A 51 -9.243 -3.775 -0.994 1.00 65.15 N ATOM 0 H LYS A 51 -4.854 -3.374 1.175 1.00 41.35 H new ATOM 0 HA LYS A 51 -3.696 -1.055 -0.145 1.00 72.05 H new ATOM 0 HB2 LYS A 51 -6.440 -1.941 0.816 1.00 62.02 H new ATOM 0 HB3 LYS A 51 -6.166 -0.289 0.298 1.00 62.02 H new ATOM 0 HG2 LYS A 51 -6.340 -0.880 -1.863 1.00 3.10 H new ATOM 0 HG3 LYS A 51 -5.036 -2.039 -1.691 1.00 3.10 H new ATOM 0 HD2 LYS A 51 -7.014 -3.143 -2.568 1.00 31.33 H new ATOM 0 HD3 LYS A 51 -6.641 -3.771 -0.975 1.00 31.33 H new ATOM 0 HE2 LYS A 51 -8.381 -2.090 -0.059 1.00 44.11 H new ATOM 0 HE3 LYS A 51 -8.864 -1.831 -1.723 1.00 44.11 H new ATOM 0 HZ1 LYS A 51 -10.027 -3.635 -0.325 1.00 65.15 H new ATOM 0 HZ2 LYS A 51 -9.627 -3.973 -1.940 1.00 65.15 H new ATOM 0 HZ3 LYS A 51 -8.661 -4.578 -0.681 1.00 65.15 H new ATOM 887 N PHE A 52 -3.392 0.561 1.732 1.00 32.21 N ATOM 888 CA PHE A 52 -3.082 1.529 2.775 1.00 3.40 C ATOM 889 C PHE A 52 -3.607 2.917 2.386 1.00 65.33 C ATOM 890 O PHE A 52 -3.756 3.245 1.203 1.00 44.51 O ATOM 891 CB PHE A 52 -1.561 1.597 3.029 1.00 63.35 C ATOM 892 CG PHE A 52 -1.040 0.653 4.095 1.00 53.54 C ATOM 893 CD1 PHE A 52 -1.012 -0.729 3.851 1.00 62.31 C ATOM 894 CD2 PHE A 52 -0.595 1.151 5.338 1.00 51.12 C ATOM 895 CE1 PHE A 52 -0.569 -1.608 4.852 1.00 33.23 C ATOM 896 CE2 PHE A 52 -0.143 0.267 6.336 1.00 33.14 C ATOM 897 CZ PHE A 52 -0.136 -1.117 6.091 1.00 72.14 C ATOM 0 H PHE A 52 -2.964 0.804 0.838 1.00 32.21 H new ATOM 0 HA PHE A 52 -3.573 1.205 3.693 1.00 3.40 H new ATOM 0 HB2 PHE A 52 -1.043 1.384 2.094 1.00 63.35 H new ATOM 0 HB3 PHE A 52 -1.302 2.617 3.312 1.00 63.35 H new ATOM 0 HD1 PHE A 52 -1.331 -1.116 2.894 1.00 62.31 H new ATOM 0 HD2 PHE A 52 -0.601 2.215 5.524 1.00 51.12 H new ATOM 0 HE1 PHE A 52 -0.562 -2.672 4.666 1.00 33.23 H new ATOM 0 HE2 PHE A 52 0.197 0.651 7.286 1.00 33.14 H new ATOM 0 HZ PHE A 52 0.202 -1.800 6.856 1.00 72.14 H new ATOM 907 N LEU A 53 -3.859 3.741 3.404 1.00 25.23 N ATOM 908 CA LEU A 53 -4.343 5.117 3.319 1.00 41.51 C ATOM 909 C LEU A 53 -3.231 5.965 3.927 1.00 32.11 C ATOM 910 O LEU A 53 -3.055 5.984 5.154 1.00 3.32 O ATOM 911 CB LEU A 53 -5.676 5.293 4.073 1.00 32.34 C ATOM 912 CG LEU A 53 -6.911 4.843 3.283 1.00 2.10 C ATOM 913 CD1 LEU A 53 -8.022 4.401 4.241 1.00 2.41 C ATOM 914 CD2 LEU A 53 -7.459 5.948 2.395 1.00 71.02 C ATOM 0 H LEU A 53 -3.721 3.445 4.370 1.00 25.23 H new ATOM 0 HA LEU A 53 -4.556 5.412 2.291 1.00 41.51 H new ATOM 0 HB2 LEU A 53 -5.630 4.730 5.005 1.00 32.34 H new ATOM 0 HB3 LEU A 53 -5.793 6.343 4.341 1.00 32.34 H new ATOM 0 HG LEU A 53 -6.593 4.013 2.652 1.00 2.10 H new ATOM 0 HD11 LEU A 53 -8.893 4.084 3.667 1.00 2.41 H new ATOM 0 HD12 LEU A 53 -7.667 3.570 4.851 1.00 2.41 H new ATOM 0 HD13 LEU A 53 -8.297 5.234 4.888 1.00 2.41 H new ATOM 0 HD21 LEU A 53 -8.333 5.582 1.856 1.00 71.02 H new ATOM 0 HD22 LEU A 53 -7.744 6.802 3.010 1.00 71.02 H new ATOM 0 HD23 LEU A 53 -6.694 6.254 1.681 1.00 71.02 H new ATOM 926 N VAL A 54 -2.448 6.612 3.065 1.00 64.43 N ATOM 927 CA VAL A 54 -1.327 7.451 3.480 1.00 25.33 C ATOM 928 C VAL A 54 -1.739 8.912 3.339 1.00 44.51 C ATOM 929 O VAL A 54 -2.255 9.271 2.283 1.00 73.21 O ATOM 930 CB VAL A 54 -0.078 7.121 2.630 1.00 74.13 C ATOM 931 CG1 VAL A 54 1.121 7.960 3.073 1.00 25.41 C ATOM 932 CG2 VAL A 54 0.268 5.628 2.729 1.00 13.20 C ATOM 0 H VAL A 54 -2.575 6.568 2.054 1.00 64.43 H new ATOM 0 HA VAL A 54 -1.068 7.259 4.521 1.00 25.33 H new ATOM 0 HB VAL A 54 -0.310 7.362 1.593 1.00 74.13 H new ATOM 0 HG11 VAL A 54 1.987 7.709 2.460 1.00 25.41 H new ATOM 0 HG12 VAL A 54 0.888 9.018 2.956 1.00 25.41 H new ATOM 0 HG13 VAL A 54 1.345 7.751 4.119 1.00 25.41 H new ATOM 0 HG21 VAL A 54 1.150 5.418 2.124 1.00 13.20 H new ATOM 0 HG22 VAL A 54 0.472 5.370 3.768 1.00 13.20 H new ATOM 0 HG23 VAL A 54 -0.571 5.035 2.366 1.00 13.20 H new ATOM 942 N PRO A 55 -1.599 9.749 4.378 1.00 14.32 N ATOM 943 CA PRO A 55 -1.955 11.151 4.275 1.00 44.23 C ATOM 944 C PRO A 55 -0.901 11.848 3.412 1.00 54.31 C ATOM 945 O PRO A 55 0.293 11.566 3.521 1.00 65.03 O ATOM 946 CB PRO A 55 -1.966 11.670 5.710 1.00 31.04 C ATOM 947 CG PRO A 55 -0.883 10.823 6.375 1.00 63.21 C ATOM 948 CD PRO A 55 -1.027 9.469 5.685 1.00 21.44 C ATOM 0 HA PRO A 55 -2.923 11.330 3.808 1.00 44.23 H new ATOM 0 HB2 PRO A 55 -1.736 12.734 5.759 1.00 31.04 H new ATOM 0 HB3 PRO A 55 -2.938 11.532 6.184 1.00 31.04 H new ATOM 0 HG2 PRO A 55 0.109 11.248 6.225 1.00 63.21 H new ATOM 0 HG3 PRO A 55 -1.037 10.745 7.451 1.00 63.21 H new ATOM 0 HD2 PRO A 55 -0.061 8.973 5.591 1.00 21.44 H new ATOM 0 HD3 PRO A 55 -1.672 8.804 6.260 1.00 21.44 H new ATOM 956 N ASP A 56 -1.329 12.805 2.598 1.00 1.30 N ATOM 957 CA ASP A 56 -0.456 13.563 1.704 1.00 1.32 C ATOM 958 C ASP A 56 0.634 14.401 2.398 1.00 1.23 C ATOM 959 O ASP A 56 1.507 14.925 1.705 1.00 5.43 O ATOM 960 CB ASP A 56 -1.318 14.432 0.779 1.00 45.52 C ATOM 961 CG ASP A 56 -1.857 15.705 1.425 1.00 52.45 C ATOM 962 OD1 ASP A 56 -2.142 15.724 2.640 1.00 14.53 O ATOM 963 OD2 ASP A 56 -2.083 16.689 0.680 1.00 74.32 O ATOM 0 H ASP A 56 -2.309 13.082 2.538 1.00 1.30 H new ATOM 0 HA ASP A 56 0.107 12.825 1.132 1.00 1.32 H new ATOM 0 HB2 ASP A 56 -0.727 14.706 -0.095 1.00 45.52 H new ATOM 0 HB3 ASP A 56 -2.159 13.837 0.422 1.00 45.52 H new ATOM 968 N HIS A 57 0.663 14.494 3.735 1.00 42.44 N ATOM 969 CA HIS A 57 1.671 15.259 4.470 1.00 5.44 C ATOM 970 C HIS A 57 2.830 14.400 5.026 1.00 44.45 C ATOM 971 O HIS A 57 3.796 14.979 5.534 1.00 31.22 O ATOM 972 CB HIS A 57 0.997 16.131 5.543 1.00 14.10 C ATOM 973 CG HIS A 57 0.368 15.353 6.668 1.00 64.31 C ATOM 974 ND1 HIS A 57 -0.973 15.086 6.816 1.00 13.40 N ATOM 975 CD2 HIS A 57 1.029 14.761 7.712 1.00 51.14 C ATOM 976 CE1 HIS A 57 -1.108 14.310 7.902 1.00 1.50 C ATOM 977 NE2 HIS A 57 0.079 14.091 8.482 1.00 50.25 N ATOM 0 H HIS A 57 -0.020 14.035 4.338 1.00 42.44 H new ATOM 0 HA HIS A 57 2.158 15.920 3.753 1.00 5.44 H new ATOM 0 HB2 HIS A 57 1.739 16.813 5.959 1.00 14.10 H new ATOM 0 HB3 HIS A 57 0.231 16.744 5.068 1.00 14.10 H new ATOM 0 HD2 HIS A 57 2.091 14.805 7.903 1.00 51.14 H new ATOM 0 HE1 HIS A 57 -2.047 13.915 8.260 1.00 1.50 H new ATOM 0 HE2 HIS A 57 0.254 13.541 9.323 1.00 50.25 H new ATOM 985 N VAL A 58 2.783 13.058 4.997 1.00 34.42 N ATOM 986 CA VAL A 58 3.903 12.236 5.503 1.00 3.41 C ATOM 987 C VAL A 58 4.811 11.729 4.373 1.00 34.11 C ATOM 988 O VAL A 58 4.317 11.211 3.369 1.00 13.32 O ATOM 989 CB VAL A 58 3.455 11.109 6.452 1.00 23.01 C ATOM 990 CG1 VAL A 58 2.686 11.664 7.658 1.00 1.31 C ATOM 991 CG2 VAL A 58 2.671 9.988 5.762 1.00 33.20 C ATOM 0 H VAL A 58 1.995 12.522 4.635 1.00 34.42 H new ATOM 0 HA VAL A 58 4.508 12.906 6.114 1.00 3.41 H new ATOM 0 HB VAL A 58 4.375 10.648 6.810 1.00 23.01 H new ATOM 0 HG11 VAL A 58 2.385 10.842 8.307 1.00 1.31 H new ATOM 0 HG12 VAL A 58 3.326 12.349 8.214 1.00 1.31 H new ATOM 0 HG13 VAL A 58 1.800 12.196 7.311 1.00 1.31 H new ATOM 0 HG21 VAL A 58 2.392 9.233 6.497 1.00 33.20 H new ATOM 0 HG22 VAL A 58 1.771 10.401 5.306 1.00 33.20 H new ATOM 0 HG23 VAL A 58 3.292 9.531 4.991 1.00 33.20 H new ATOM 1001 N ASN A 59 6.135 11.852 4.523 1.00 25.02 N ATOM 1002 CA ASN A 59 7.098 11.375 3.518 1.00 2.30 C ATOM 1003 C ASN A 59 7.254 9.846 3.573 1.00 50.42 C ATOM 1004 O ASN A 59 6.740 9.163 4.476 1.00 12.23 O ATOM 1005 CB ASN A 59 8.457 12.092 3.617 1.00 73.31 C ATOM 1006 CG ASN A 59 9.263 12.000 4.894 1.00 65.05 C ATOM 1007 OD1 ASN A 59 8.887 11.171 5.846 1.00 52.13 O flip ATOM 1008 ND2 ASN A 59 10.292 12.655 5.015 1.00 31.32 N flip ATOM 0 H ASN A 59 6.569 12.282 5.339 1.00 25.02 H new ATOM 0 HA ASN A 59 6.687 11.630 2.541 1.00 2.30 H new ATOM 0 HB2 ASN A 59 9.084 11.715 2.809 1.00 73.31 H new ATOM 0 HB3 ASN A 59 8.282 13.149 3.418 1.00 73.31 H new ATOM 0 HD21 ASN A 59 10.579 13.296 4.275 1.00 31.32 H new ATOM 0 HD22 ASN A 59 10.861 12.559 5.856 1.00 31.32 H new ATOM 1015 N MET A 60 7.983 9.288 2.605 1.00 52.24 N ATOM 1016 CA MET A 60 8.210 7.857 2.518 1.00 74.44 C ATOM 1017 C MET A 60 8.970 7.323 3.706 1.00 42.44 C ATOM 1018 O MET A 60 8.701 6.192 4.096 1.00 13.23 O ATOM 1019 CB MET A 60 8.956 7.428 1.241 1.00 41.24 C ATOM 1020 CG MET A 60 8.287 7.798 -0.075 1.00 44.22 C ATOM 1021 SD MET A 60 9.034 6.982 -1.519 1.00 71.52 S ATOM 1022 CE MET A 60 8.369 5.307 -1.361 1.00 33.20 C ATOM 0 H MET A 60 8.431 9.823 1.861 1.00 52.24 H new ATOM 0 HA MET A 60 7.207 7.431 2.496 1.00 74.44 H new ATOM 0 HB2 MET A 60 9.951 7.872 1.258 1.00 41.24 H new ATOM 0 HB3 MET A 60 9.089 6.347 1.267 1.00 41.24 H new ATOM 0 HG2 MET A 60 7.231 7.534 -0.024 1.00 44.22 H new ATOM 0 HG3 MET A 60 8.340 8.878 -0.210 1.00 44.22 H new ATOM 0 HE1 MET A 60 8.623 4.729 -2.250 1.00 33.20 H new ATOM 0 HE2 MET A 60 8.798 4.827 -0.482 1.00 33.20 H new ATOM 0 HE3 MET A 60 7.285 5.354 -1.256 1.00 33.20 H new ATOM 1032 N SER A 61 9.875 8.103 4.307 1.00 1.03 N ATOM 1033 CA SER A 61 10.616 7.621 5.469 1.00 41.42 C ATOM 1034 C SER A 61 9.598 7.139 6.518 1.00 33.02 C ATOM 1035 O SER A 61 9.759 6.070 7.114 1.00 73.14 O ATOM 1036 CB SER A 61 11.597 8.694 5.960 1.00 71.21 C ATOM 1037 OG SER A 61 12.530 8.171 6.887 1.00 52.35 O ATOM 0 H SER A 61 10.107 9.052 4.013 1.00 1.03 H new ATOM 0 HA SER A 61 11.247 6.767 5.224 1.00 41.42 H new ATOM 0 HB2 SER A 61 12.130 9.116 5.108 1.00 71.21 H new ATOM 0 HB3 SER A 61 11.041 9.509 6.424 1.00 71.21 H new ATOM 0 HG SER A 61 13.139 8.883 7.176 1.00 52.35 H new ATOM 1043 N GLU A 62 8.531 7.916 6.719 1.00 42.24 N ATOM 1044 CA GLU A 62 7.464 7.609 7.653 1.00 32.00 C ATOM 1045 C GLU A 62 6.630 6.440 7.183 1.00 12.51 C ATOM 1046 O GLU A 62 6.382 5.555 8.001 1.00 63.25 O ATOM 1047 CB GLU A 62 6.618 8.844 7.950 1.00 30.40 C ATOM 1048 CG GLU A 62 7.476 9.843 8.722 1.00 33.20 C ATOM 1049 CD GLU A 62 7.793 9.334 10.139 1.00 74.33 C ATOM 1050 OE1 GLU A 62 8.711 8.501 10.319 1.00 13.24 O ATOM 1051 OE2 GLU A 62 7.084 9.708 11.100 1.00 10.43 O ATOM 0 H GLU A 62 8.389 8.795 6.221 1.00 42.24 H new ATOM 0 HA GLU A 62 7.923 7.303 8.593 1.00 32.00 H new ATOM 0 HB2 GLU A 62 6.259 9.290 7.022 1.00 30.40 H new ATOM 0 HB3 GLU A 62 5.739 8.570 8.533 1.00 30.40 H new ATOM 0 HG2 GLU A 62 8.406 10.021 8.181 1.00 33.20 H new ATOM 0 HG3 GLU A 62 6.956 10.799 8.785 1.00 33.20 H new ATOM 1058 N LEU A 63 6.214 6.398 5.909 1.00 62.23 N ATOM 1059 CA LEU A 63 5.433 5.239 5.452 1.00 74.35 C ATOM 1060 C LEU A 63 6.235 3.969 5.757 1.00 33.24 C ATOM 1061 O LEU A 63 5.701 3.044 6.380 1.00 21.00 O ATOM 1062 CB LEU A 63 5.039 5.355 3.971 1.00 63.03 C ATOM 1063 CG LEU A 63 4.412 4.104 3.310 1.00 2.21 C ATOM 1064 CD1 LEU A 63 5.385 2.959 2.996 1.00 24.03 C ATOM 1065 CD2 LEU A 63 3.191 3.573 4.073 1.00 53.31 C ATOM 0 H LEU A 63 6.393 7.115 5.206 1.00 62.23 H new ATOM 0 HA LEU A 63 4.486 5.197 5.990 1.00 74.35 H new ATOM 0 HB2 LEU A 63 4.333 6.180 3.872 1.00 63.03 H new ATOM 0 HB3 LEU A 63 5.929 5.627 3.404 1.00 63.03 H new ATOM 0 HG LEU A 63 4.085 4.485 2.343 1.00 2.21 H new ATOM 0 HD11 LEU A 63 4.840 2.135 2.536 1.00 24.03 H new ATOM 0 HD12 LEU A 63 6.155 3.313 2.310 1.00 24.03 H new ATOM 0 HD13 LEU A 63 5.852 2.615 3.919 1.00 24.03 H new ATOM 0 HD21 LEU A 63 2.795 2.696 3.561 1.00 53.31 H new ATOM 0 HD22 LEU A 63 3.486 3.300 5.086 1.00 53.31 H new ATOM 0 HD23 LEU A 63 2.423 4.346 4.114 1.00 53.31 H new ATOM 1077 N ILE A 64 7.515 3.943 5.367 1.00 31.03 N ATOM 1078 CA ILE A 64 8.416 2.821 5.609 1.00 53.32 C ATOM 1079 C ILE A 64 8.405 2.521 7.111 1.00 13.53 C ATOM 1080 O ILE A 64 8.203 1.373 7.502 1.00 11.51 O ATOM 1081 CB ILE A 64 9.841 3.101 5.043 1.00 70.31 C ATOM 1082 CG1 ILE A 64 9.968 2.645 3.566 1.00 5.44 C ATOM 1083 CG2 ILE A 64 10.937 2.393 5.863 1.00 65.05 C ATOM 1084 CD1 ILE A 64 9.540 3.706 2.555 1.00 50.42 C ATOM 0 H ILE A 64 7.956 4.715 4.867 1.00 31.03 H new ATOM 0 HA ILE A 64 8.074 1.933 5.076 1.00 53.32 H new ATOM 0 HB ILE A 64 9.981 4.180 5.109 1.00 70.31 H new ATOM 0 HG12 ILE A 64 11.003 2.366 3.369 1.00 5.44 H new ATOM 0 HG13 ILE A 64 9.363 1.751 3.418 1.00 5.44 H new ATOM 0 HG21 ILE A 64 11.914 2.616 5.433 1.00 65.05 H new ATOM 0 HG22 ILE A 64 10.905 2.746 6.894 1.00 65.05 H new ATOM 0 HG23 ILE A 64 10.768 1.316 5.842 1.00 65.05 H new ATOM 0 HD11 ILE A 64 9.657 3.314 1.545 1.00 50.42 H new ATOM 0 HD12 ILE A 64 8.496 3.969 2.724 1.00 50.42 H new ATOM 0 HD13 ILE A 64 10.161 4.594 2.674 1.00 50.42 H new ATOM 1096 N LYS A 65 8.601 3.525 7.969 1.00 12.40 N ATOM 1097 CA LYS A 65 8.614 3.350 9.417 1.00 54.52 C ATOM 1098 C LYS A 65 7.318 2.712 9.924 1.00 23.13 C ATOM 1099 O LYS A 65 7.435 1.773 10.716 1.00 13.51 O ATOM 1100 CB LYS A 65 9.020 4.674 10.083 1.00 15.50 C ATOM 1101 CG LYS A 65 8.617 4.852 11.553 1.00 1.13 C ATOM 1102 CD LYS A 65 7.259 5.564 11.689 1.00 41.22 C ATOM 1103 CE LYS A 65 7.093 6.380 12.972 1.00 43.13 C ATOM 1104 NZ LYS A 65 7.808 7.677 12.934 1.00 2.41 N ATOM 0 H LYS A 65 8.756 4.489 7.672 1.00 12.40 H new ATOM 0 HA LYS A 65 9.373 2.625 9.710 1.00 54.52 H new ATOM 0 HB2 LYS A 65 10.103 4.774 10.012 1.00 15.50 H new ATOM 0 HB3 LYS A 65 8.586 5.492 9.509 1.00 15.50 H new ATOM 0 HG2 LYS A 65 8.567 3.877 12.037 1.00 1.13 H new ATOM 0 HG3 LYS A 65 9.383 5.427 12.073 1.00 1.13 H new ATOM 0 HD2 LYS A 65 7.123 6.225 10.833 1.00 41.22 H new ATOM 0 HD3 LYS A 65 6.466 4.817 11.644 1.00 41.22 H new ATOM 0 HE2 LYS A 65 6.032 6.562 13.145 1.00 43.13 H new ATOM 0 HE3 LYS A 65 7.458 5.796 13.817 1.00 43.13 H new ATOM 0 HZ1 LYS A 65 7.980 8.007 13.905 1.00 2.41 H new ATOM 0 HZ2 LYS A 65 8.717 7.558 12.443 1.00 2.41 H new ATOM 0 HZ3 LYS A 65 7.230 8.377 12.427 1.00 2.41 H new ATOM 1118 N ILE A 66 6.124 3.155 9.510 1.00 55.13 N ATOM 1119 CA ILE A 66 4.862 2.551 9.962 1.00 63.32 C ATOM 1120 C ILE A 66 4.883 1.069 9.562 1.00 42.12 C ATOM 1121 O ILE A 66 4.575 0.196 10.376 1.00 31.20 O ATOM 1122 CB ILE A 66 3.617 3.302 9.400 1.00 64.03 C ATOM 1123 CG1 ILE A 66 3.230 4.524 10.266 1.00 62.15 C ATOM 1124 CG2 ILE A 66 2.367 2.394 9.370 1.00 52.53 C ATOM 1125 CD1 ILE A 66 3.947 5.827 9.927 1.00 44.41 C ATOM 0 H ILE A 66 6.004 3.932 8.860 1.00 55.13 H new ATOM 0 HA ILE A 66 4.776 2.636 11.045 1.00 63.32 H new ATOM 0 HB ILE A 66 3.907 3.613 8.396 1.00 64.03 H new ATOM 0 HG12 ILE A 66 2.156 4.687 10.173 1.00 62.15 H new ATOM 0 HG13 ILE A 66 3.427 4.283 11.311 1.00 62.15 H new ATOM 0 HG21 ILE A 66 1.520 2.953 8.972 1.00 52.53 H new ATOM 0 HG22 ILE A 66 2.561 1.529 8.736 1.00 52.53 H new ATOM 0 HG23 ILE A 66 2.137 2.058 10.381 1.00 52.53 H new ATOM 0 HD11 ILE A 66 3.601 6.617 10.594 1.00 44.41 H new ATOM 0 HD12 ILE A 66 5.022 5.693 10.050 1.00 44.41 H new ATOM 0 HD13 ILE A 66 3.731 6.103 8.895 1.00 44.41 H new ATOM 1137 N ILE A 67 5.279 0.773 8.321 1.00 75.14 N ATOM 1138 CA ILE A 67 5.348 -0.591 7.817 1.00 63.35 C ATOM 1139 C ILE A 67 6.330 -1.380 8.694 1.00 4.20 C ATOM 1140 O ILE A 67 5.970 -2.463 9.147 1.00 60.31 O ATOM 1141 CB ILE A 67 5.653 -0.565 6.294 1.00 35.10 C ATOM 1142 CG1 ILE A 67 4.354 -0.543 5.449 1.00 42.13 C ATOM 1143 CG2 ILE A 67 6.512 -1.745 5.806 1.00 31.24 C ATOM 1144 CD1 ILE A 67 3.294 0.481 5.871 1.00 75.32 C ATOM 0 H ILE A 67 5.560 1.478 7.640 1.00 75.14 H new ATOM 0 HA ILE A 67 4.398 -1.120 7.893 1.00 63.35 H new ATOM 0 HB ILE A 67 6.222 0.354 6.153 1.00 35.10 H new ATOM 0 HG12 ILE A 67 4.623 -0.350 4.410 1.00 42.13 H new ATOM 0 HG13 ILE A 67 3.905 -1.536 5.483 1.00 42.13 H new ATOM 0 HG21 ILE A 67 6.680 -1.653 4.733 1.00 31.24 H new ATOM 0 HG22 ILE A 67 7.470 -1.737 6.325 1.00 31.24 H new ATOM 0 HG23 ILE A 67 5.995 -2.682 6.014 1.00 31.24 H new ATOM 0 HD11 ILE A 67 2.431 0.405 5.209 1.00 75.32 H new ATOM 0 HD12 ILE A 67 2.984 0.282 6.897 1.00 75.32 H new ATOM 0 HD13 ILE A 67 3.713 1.485 5.807 1.00 75.32 H new ATOM 1156 N ARG A 68 7.522 -0.865 9.028 1.00 2.23 N ATOM 1157 CA ARG A 68 8.442 -1.614 9.874 1.00 1.53 C ATOM 1158 C ARG A 68 7.884 -1.783 11.289 1.00 32.24 C ATOM 1159 O ARG A 68 8.200 -2.785 11.925 1.00 42.21 O ATOM 1160 CB ARG A 68 9.821 -0.944 9.900 1.00 64.32 C ATOM 1161 CG ARG A 68 10.503 -0.943 8.524 1.00 22.22 C ATOM 1162 CD ARG A 68 11.939 -0.409 8.614 1.00 55.14 C ATOM 1163 NE ARG A 68 12.903 -1.446 8.220 1.00 53.11 N ATOM 1164 CZ ARG A 68 14.185 -1.515 8.608 1.00 14.32 C ATOM 1165 NH1 ARG A 68 14.756 -0.487 9.216 1.00 23.13 N ATOM 1166 NH2 ARG A 68 14.889 -2.616 8.369 1.00 34.23 N ATOM 0 H ARG A 68 7.861 0.049 8.729 1.00 2.23 H new ATOM 0 HA ARG A 68 8.557 -2.610 9.446 1.00 1.53 H new ATOM 0 HB2 ARG A 68 9.715 0.083 10.250 1.00 64.32 H new ATOM 0 HB3 ARG A 68 10.459 -1.461 10.617 1.00 64.32 H new ATOM 0 HG2 ARG A 68 10.514 -1.955 8.120 1.00 22.22 H new ATOM 0 HG3 ARG A 68 9.927 -0.330 7.831 1.00 22.22 H new ATOM 0 HD2 ARG A 68 12.050 0.462 7.968 1.00 55.14 H new ATOM 0 HD3 ARG A 68 12.147 -0.080 9.632 1.00 55.14 H new ATOM 0 HE ARG A 68 12.567 -2.179 7.595 1.00 53.11 H new ATOM 0 HH11 ARG A 68 14.221 0.363 9.392 1.00 23.13 H new ATOM 0 HH12 ARG A 68 15.731 -0.545 9.509 1.00 23.13 H new ATOM 0 HH21 ARG A 68 14.454 -3.406 7.892 1.00 34.23 H new ATOM 0 HH22 ARG A 68 15.864 -2.672 8.663 1.00 34.23 H new ATOM 1180 N ARG A 69 7.058 -0.849 11.787 1.00 41.21 N ATOM 1181 CA ARG A 69 6.470 -0.920 13.124 1.00 72.15 C ATOM 1182 C ARG A 69 5.561 -2.147 13.206 1.00 3.44 C ATOM 1183 O ARG A 69 5.843 -3.047 13.996 1.00 20.43 O ATOM 1184 CB ARG A 69 5.715 0.392 13.457 1.00 54.35 C ATOM 1185 CG ARG A 69 5.330 0.517 14.944 1.00 2.43 C ATOM 1186 CD ARG A 69 6.112 1.610 15.690 1.00 21.44 C ATOM 1187 NE ARG A 69 5.487 2.944 15.586 1.00 1.41 N ATOM 1188 CZ ARG A 69 5.455 3.901 16.530 1.00 1.24 C ATOM 1189 NH1 ARG A 69 5.845 3.677 17.783 1.00 62.31 N ATOM 1190 NH2 ARG A 69 5.028 5.112 16.206 1.00 1.43 N ATOM 0 H ARG A 69 6.780 -0.018 11.264 1.00 41.21 H new ATOM 0 HA ARG A 69 7.256 -1.027 13.871 1.00 72.15 H new ATOM 0 HB2 ARG A 69 6.338 1.242 13.178 1.00 54.35 H new ATOM 0 HB3 ARG A 69 4.811 0.447 12.850 1.00 54.35 H new ATOM 0 HG2 ARG A 69 4.263 0.729 15.018 1.00 2.43 H new ATOM 0 HG3 ARG A 69 5.499 -0.440 15.437 1.00 2.43 H new ATOM 0 HD2 ARG A 69 6.195 1.335 16.742 1.00 21.44 H new ATOM 0 HD3 ARG A 69 7.126 1.658 15.292 1.00 21.44 H new ATOM 0 HE ARG A 69 5.029 3.163 14.701 1.00 1.41 H new ATOM 0 HH11 ARG A 69 6.183 2.754 18.055 1.00 62.31 H new ATOM 0 HH12 ARG A 69 5.806 4.429 18.471 1.00 62.31 H new ATOM 0 HH21 ARG A 69 4.729 5.309 15.251 1.00 1.43 H new ATOM 0 HH22 ARG A 69 4.998 5.848 16.912 1.00 1.43 H new ATOM 1204 N ARG A 70 4.527 -2.237 12.362 1.00 21.12 N ATOM 1205 CA ARG A 70 3.604 -3.383 12.385 1.00 55.53 C ATOM 1206 C ARG A 70 4.276 -4.691 11.978 1.00 23.12 C ATOM 1207 O ARG A 70 3.981 -5.736 12.559 1.00 41.41 O ATOM 1208 CB ARG A 70 2.360 -3.145 11.506 1.00 35.23 C ATOM 1209 CG ARG A 70 2.637 -2.439 10.167 1.00 73.15 C ATOM 1210 CD ARG A 70 1.864 -2.989 8.967 1.00 41.33 C ATOM 1211 NE ARG A 70 0.457 -3.295 9.242 1.00 43.12 N ATOM 1212 CZ ARG A 70 -0.564 -2.492 9.550 1.00 41.14 C ATOM 1213 NH1 ARG A 70 -0.384 -1.196 9.785 1.00 12.31 N ATOM 1214 NH2 ARG A 70 -1.773 -3.023 9.614 1.00 21.32 N ATOM 0 H ARG A 70 4.307 -1.534 11.656 1.00 21.12 H new ATOM 0 HA ARG A 70 3.286 -3.475 13.424 1.00 55.53 H new ATOM 0 HB2 ARG A 70 1.888 -4.106 11.302 1.00 35.23 H new ATOM 0 HB3 ARG A 70 1.642 -2.551 12.071 1.00 35.23 H new ATOM 0 HG2 ARG A 70 2.400 -1.381 10.277 1.00 73.15 H new ATOM 0 HG3 ARG A 70 3.704 -2.506 9.953 1.00 73.15 H new ATOM 0 HD2 ARG A 70 1.913 -2.264 8.155 1.00 41.33 H new ATOM 0 HD3 ARG A 70 2.358 -3.895 8.616 1.00 41.33 H new ATOM 0 HE ARG A 70 0.219 -4.285 9.189 1.00 43.12 H new ATOM 0 HH11 ARG A 70 0.552 -0.793 9.732 1.00 12.31 H new ATOM 0 HH12 ARG A 70 -1.181 -0.604 10.018 1.00 12.31 H new ATOM 0 HH21 ARG A 70 -1.903 -4.018 9.431 1.00 21.32 H new ATOM 0 HH22 ARG A 70 -2.575 -2.438 9.847 1.00 21.32 H new ATOM 1228 N LEU A 71 5.179 -4.644 10.996 1.00 12.11 N ATOM 1229 CA LEU A 71 5.896 -5.811 10.488 1.00 73.45 C ATOM 1230 C LEU A 71 7.003 -6.289 11.442 1.00 12.23 C ATOM 1231 O LEU A 71 7.527 -7.382 11.244 1.00 2.53 O ATOM 1232 CB LEU A 71 6.419 -5.457 9.082 1.00 71.35 C ATOM 1233 CG LEU A 71 6.755 -6.653 8.180 1.00 33.25 C ATOM 1234 CD1 LEU A 71 5.560 -7.604 8.000 1.00 1.12 C ATOM 1235 CD2 LEU A 71 7.176 -6.162 6.788 1.00 15.12 C ATOM 0 H LEU A 71 5.436 -3.777 10.524 1.00 12.11 H new ATOM 0 HA LEU A 71 5.220 -6.664 10.421 1.00 73.45 H new ATOM 0 HB2 LEU A 71 5.671 -4.844 8.579 1.00 71.35 H new ATOM 0 HB3 LEU A 71 7.313 -4.844 9.190 1.00 71.35 H new ATOM 0 HG LEU A 71 7.565 -7.193 8.670 1.00 33.25 H new ATOM 0 HD11 LEU A 71 5.849 -8.433 7.354 1.00 1.12 H new ATOM 0 HD12 LEU A 71 5.253 -7.991 8.972 1.00 1.12 H new ATOM 0 HD13 LEU A 71 4.730 -7.063 7.546 1.00 1.12 H new ATOM 0 HD21 LEU A 71 7.412 -7.018 6.156 1.00 15.12 H new ATOM 0 HD22 LEU A 71 6.360 -5.595 6.340 1.00 15.12 H new ATOM 0 HD23 LEU A 71 8.055 -5.524 6.878 1.00 15.12 H new ATOM 1247 N GLN A 72 7.324 -5.515 12.492 1.00 61.14 N ATOM 1248 CA GLN A 72 8.355 -5.795 13.497 1.00 42.30 C ATOM 1249 C GLN A 72 9.692 -6.158 12.830 1.00 21.15 C ATOM 1250 O GLN A 72 10.367 -7.121 13.200 1.00 21.44 O ATOM 1251 CB GLN A 72 7.858 -6.836 14.516 1.00 41.53 C ATOM 1252 CG GLN A 72 6.671 -6.354 15.361 1.00 20.34 C ATOM 1253 CD GLN A 72 7.125 -5.447 16.499 1.00 44.14 C ATOM 1254 OE1 GLN A 72 7.608 -5.915 17.530 1.00 62.32 O ATOM 1255 NE2 GLN A 72 7.000 -4.145 16.344 1.00 41.21 N ATOM 0 H GLN A 72 6.845 -4.632 12.669 1.00 61.14 H new ATOM 0 HA GLN A 72 8.551 -4.889 14.071 1.00 42.30 H new ATOM 0 HB2 GLN A 72 7.570 -7.743 13.984 1.00 41.53 H new ATOM 0 HB3 GLN A 72 8.680 -7.103 15.180 1.00 41.53 H new ATOM 0 HG2 GLN A 72 5.966 -5.817 14.726 1.00 20.34 H new ATOM 0 HG3 GLN A 72 6.141 -7.214 15.770 1.00 20.34 H new ATOM 0 HE21 GLN A 72 6.598 -3.770 15.485 1.00 41.21 H new ATOM 0 HE22 GLN A 72 7.305 -3.512 17.083 1.00 41.21 H new ATOM 1264 N LEU A 73 10.070 -5.347 11.837 1.00 1.24 N ATOM 1265 CA LEU A 73 11.297 -5.511 11.064 1.00 64.14 C ATOM 1266 C LEU A 73 12.524 -5.519 11.979 1.00 12.44 C ATOM 1267 O LEU A 73 12.569 -4.763 12.958 1.00 2.43 O ATOM 1268 CB LEU A 73 11.404 -4.383 10.018 1.00 41.53 C ATOM 1269 CG LEU A 73 11.727 -4.848 8.588 1.00 22.44 C ATOM 1270 CD1 LEU A 73 13.077 -5.554 8.462 1.00 55.21 C ATOM 1271 CD2 LEU A 73 10.601 -5.717 8.025 1.00 44.21 C ATOM 0 H LEU A 73 9.517 -4.542 11.545 1.00 1.24 H new ATOM 0 HA LEU A 73 11.262 -6.471 10.550 1.00 64.14 H new ATOM 0 HB2 LEU A 73 10.463 -3.834 10.001 1.00 41.53 H new ATOM 0 HB3 LEU A 73 12.176 -3.683 10.339 1.00 41.53 H new ATOM 0 HG LEU A 73 11.806 -3.940 7.990 1.00 22.44 H new ATOM 0 HD11 LEU A 73 13.236 -5.853 7.426 1.00 55.21 H new ATOM 0 HD12 LEU A 73 13.873 -4.875 8.770 1.00 55.21 H new ATOM 0 HD13 LEU A 73 13.086 -6.438 9.100 1.00 55.21 H new ATOM 0 HD21 LEU A 73 10.856 -6.032 7.013 1.00 44.21 H new ATOM 0 HD22 LEU A 73 10.469 -6.596 8.656 1.00 44.21 H new ATOM 0 HD23 LEU A 73 9.674 -5.143 8.004 1.00 44.21 H new ATOM 1283 N ASN A 74 13.537 -6.315 11.628 1.00 15.44 N ATOM 1284 CA ASN A 74 14.770 -6.443 12.389 1.00 11.42 C ATOM 1285 C ASN A 74 15.565 -5.139 12.341 1.00 60.04 C ATOM 1286 O ASN A 74 15.278 -4.246 11.536 1.00 41.51 O ATOM 1287 CB ASN A 74 15.624 -7.614 11.844 1.00 75.44 C ATOM 1288 CG ASN A 74 15.919 -8.690 12.885 1.00 71.22 C ATOM 1289 OD1 ASN A 74 15.817 -8.473 14.089 1.00 52.51 O ATOM 1290 ND2 ASN A 74 16.372 -9.850 12.453 1.00 35.22 N ATOM 0 H ASN A 74 13.517 -6.897 10.791 1.00 15.44 H new ATOM 0 HA ASN A 74 14.513 -6.655 13.427 1.00 11.42 H new ATOM 0 HB2 ASN A 74 15.105 -8.069 11.000 1.00 75.44 H new ATOM 0 HB3 ASN A 74 16.566 -7.220 11.464 1.00 75.44 H new ATOM 0 HD21 ASN A 74 16.640 -10.573 13.120 1.00 35.22 H new ATOM 0 HD22 ASN A 74 16.454 -10.024 11.451 1.00 35.22 H new ATOM 1297 N ALA A 75 16.599 -5.047 13.178 1.00 35.13 N ATOM 1298 CA ALA A 75 17.477 -3.889 13.266 1.00 53.22 C ATOM 1299 C ALA A 75 18.771 -4.139 12.497 1.00 75.34 C ATOM 1300 O ALA A 75 19.417 -3.177 12.081 1.00 42.33 O ATOM 1301 CB ALA A 75 17.786 -3.573 14.732 1.00 13.12 C ATOM 0 H ALA A 75 16.851 -5.793 13.826 1.00 35.13 H new ATOM 0 HA ALA A 75 16.970 -3.034 12.820 1.00 53.22 H new ATOM 0 HB1 ALA A 75 18.443 -2.705 14.786 1.00 13.12 H new ATOM 0 HB2 ALA A 75 16.858 -3.359 15.262 1.00 13.12 H new ATOM 0 HB3 ALA A 75 18.277 -4.430 15.193 1.00 13.12 H new ATOM 1307 N ASN A 76 19.154 -5.411 12.325 1.00 63.10 N ATOM 1308 CA ASN A 76 20.373 -5.769 11.594 1.00 60.54 C ATOM 1309 C ASN A 76 20.114 -5.872 10.101 1.00 31.24 C ATOM 1310 O ASN A 76 21.058 -5.796 9.317 1.00 20.23 O ATOM 1311 CB ASN A 76 20.921 -7.143 12.009 1.00 55.44 C ATOM 1312 CG ASN A 76 19.939 -8.278 11.748 1.00 71.21 C ATOM 1313 OD1 ASN A 76 19.199 -8.665 12.766 1.00 40.11 O flip ATOM 1314 ND2 ASN A 76 19.770 -8.760 10.633 1.00 0.42 N flip ATOM 0 H ASN A 76 18.634 -6.211 12.685 1.00 63.10 H new ATOM 0 HA ASN A 76 21.084 -4.978 11.830 1.00 60.54 H new ATOM 0 HB2 ASN A 76 21.846 -7.338 11.467 1.00 55.44 H new ATOM 0 HB3 ASN A 76 21.171 -7.123 13.070 1.00 55.44 H new ATOM 0 HD21 ASN A 76 20.349 -8.453 9.851 1.00 0.42 H new ATOM 0 HD22 ASN A 76 19.050 -9.468 10.487 1.00 0.42 H new ATOM 1321 N GLN A 77 18.851 -6.023 9.705 1.00 75.13 N ATOM 1322 CA GLN A 77 18.510 -6.169 8.309 1.00 14.02 C ATOM 1323 C GLN A 77 17.968 -4.856 7.769 1.00 74.10 C ATOM 1324 O GLN A 77 17.290 -4.111 8.481 1.00 34.13 O ATOM 1325 CB GLN A 77 17.584 -7.387 8.157 1.00 1.45 C ATOM 1326 CG GLN A 77 16.081 -7.097 8.060 1.00 75.10 C ATOM 1327 CD GLN A 77 15.297 -8.359 7.705 1.00 20.31 C ATOM 1328 OE1 GLN A 77 14.431 -8.804 8.451 1.00 62.00 O ATOM 1329 NE2 GLN A 77 15.581 -8.936 6.546 1.00 4.41 N ATOM 0 H GLN A 77 18.053 -6.046 10.340 1.00 75.13 H new ATOM 0 HA GLN A 77 19.383 -6.378 7.690 1.00 14.02 H new ATOM 0 HB2 GLN A 77 17.884 -7.934 7.263 1.00 1.45 H new ATOM 0 HB3 GLN A 77 17.749 -8.049 9.007 1.00 1.45 H new ATOM 0 HG2 GLN A 77 15.723 -6.698 9.009 1.00 75.10 H new ATOM 0 HG3 GLN A 77 15.904 -6.331 7.305 1.00 75.10 H new ATOM 0 HE21 GLN A 77 16.306 -8.544 5.945 1.00 4.41 H new ATOM 0 HE22 GLN A 77 15.074 -9.772 6.255 1.00 4.41 H new ATOM 1338 N ALA A 78 18.286 -4.572 6.512 1.00 61.23 N ATOM 1339 CA ALA A 78 17.857 -3.378 5.805 1.00 51.11 C ATOM 1340 C ALA A 78 17.034 -3.814 4.607 1.00 61.43 C ATOM 1341 O ALA A 78 17.255 -4.912 4.087 1.00 73.10 O ATOM 1342 CB ALA A 78 19.084 -2.580 5.364 1.00 22.23 C ATOM 0 H ALA A 78 18.867 -5.187 5.942 1.00 61.23 H new ATOM 0 HA ALA A 78 17.252 -2.739 6.448 1.00 51.11 H new ATOM 0 HB1 ALA A 78 18.763 -1.684 4.833 1.00 22.23 H new ATOM 0 HB2 ALA A 78 19.666 -2.294 6.240 1.00 22.23 H new ATOM 0 HB3 ALA A 78 19.698 -3.192 4.704 1.00 22.23 H new ATOM 1348 N PHE A 79 16.100 -2.983 4.163 1.00 1.32 N ATOM 1349 CA PHE A 79 15.256 -3.279 3.015 1.00 3.15 C ATOM 1350 C PHE A 79 15.028 -2.003 2.208 1.00 31.31 C ATOM 1351 O PHE A 79 15.432 -0.922 2.641 1.00 1.43 O ATOM 1352 CB PHE A 79 13.935 -3.904 3.488 1.00 31.31 C ATOM 1353 CG PHE A 79 12.836 -2.918 3.841 1.00 53.04 C ATOM 1354 CD1 PHE A 79 13.035 -1.953 4.845 1.00 60.11 C ATOM 1355 CD2 PHE A 79 11.649 -2.899 3.083 1.00 60.25 C ATOM 1356 CE1 PHE A 79 12.063 -0.968 5.073 1.00 72.41 C ATOM 1357 CE2 PHE A 79 10.666 -1.924 3.328 1.00 22.11 C ATOM 1358 CZ PHE A 79 10.873 -0.960 4.326 1.00 34.31 C ATOM 0 H PHE A 79 15.906 -2.079 4.593 1.00 1.32 H new ATOM 0 HA PHE A 79 15.747 -4.003 2.365 1.00 3.15 H new ATOM 0 HB2 PHE A 79 13.566 -4.568 2.706 1.00 31.31 H new ATOM 0 HB3 PHE A 79 14.138 -4.523 4.362 1.00 31.31 H new ATOM 0 HD1 PHE A 79 13.936 -1.971 5.440 1.00 60.11 H new ATOM 0 HD2 PHE A 79 11.493 -3.637 2.310 1.00 60.25 H new ATOM 0 HE1 PHE A 79 12.230 -0.212 5.826 1.00 72.41 H new ATOM 0 HE2 PHE A 79 9.754 -1.917 2.749 1.00 22.11 H new ATOM 0 HZ PHE A 79 10.118 -0.212 4.520 1.00 34.31 H new ATOM 1368 N PHE A 80 14.363 -2.131 1.066 1.00 50.31 N ATOM 1369 CA PHE A 80 14.039 -1.044 0.164 1.00 34.44 C ATOM 1370 C PHE A 80 12.576 -1.189 -0.253 1.00 12.22 C ATOM 1371 O PHE A 80 11.962 -2.257 -0.125 1.00 53.31 O ATOM 1372 CB PHE A 80 14.982 -1.086 -1.046 1.00 44.15 C ATOM 1373 CG PHE A 80 16.446 -0.859 -0.705 1.00 22.22 C ATOM 1374 CD1 PHE A 80 17.270 -1.942 -0.338 1.00 74.20 C ATOM 1375 CD2 PHE A 80 16.985 0.441 -0.734 1.00 52.14 C ATOM 1376 CE1 PHE A 80 18.617 -1.726 0.001 1.00 33.13 C ATOM 1377 CE2 PHE A 80 18.335 0.656 -0.406 1.00 12.25 C ATOM 1378 CZ PHE A 80 19.150 -0.426 -0.033 1.00 5.42 C ATOM 0 H PHE A 80 14.023 -3.034 0.734 1.00 50.31 H new ATOM 0 HA PHE A 80 14.171 -0.077 0.650 1.00 34.44 H new ATOM 0 HB2 PHE A 80 14.881 -2.054 -1.537 1.00 44.15 H new ATOM 0 HB3 PHE A 80 14.667 -0.329 -1.764 1.00 44.15 H new ATOM 0 HD1 PHE A 80 16.864 -2.943 -0.317 1.00 74.20 H new ATOM 0 HD2 PHE A 80 16.359 1.277 -1.009 1.00 52.14 H new ATOM 0 HE1 PHE A 80 19.242 -2.559 0.287 1.00 33.13 H new ATOM 0 HE2 PHE A 80 18.746 1.654 -0.441 1.00 12.25 H new ATOM 0 HZ PHE A 80 20.185 -0.259 0.227 1.00 5.42 H new ATOM 1388 N LEU A 81 12.004 -0.084 -0.718 1.00 64.12 N ATOM 1389 CA LEU A 81 10.635 0.024 -1.185 1.00 3.21 C ATOM 1390 C LEU A 81 10.763 0.631 -2.570 1.00 63.13 C ATOM 1391 O LEU A 81 11.321 1.716 -2.725 1.00 10.44 O ATOM 1392 CB LEU A 81 9.786 0.836 -0.199 1.00 65.33 C ATOM 1393 CG LEU A 81 8.279 0.703 -0.489 1.00 32.21 C ATOM 1394 CD1 LEU A 81 7.474 1.125 0.745 1.00 14.23 C ATOM 1395 CD2 LEU A 81 7.830 1.547 -1.686 1.00 61.24 C ATOM 0 H LEU A 81 12.509 0.800 -0.781 1.00 64.12 H new ATOM 0 HA LEU A 81 10.107 -0.928 -1.243 1.00 3.21 H new ATOM 0 HB2 LEU A 81 9.991 0.500 0.818 1.00 65.33 H new ATOM 0 HB3 LEU A 81 10.074 1.886 -0.252 1.00 65.33 H new ATOM 0 HG LEU A 81 8.096 -0.344 -0.732 1.00 32.21 H new ATOM 0 HD11 LEU A 81 6.409 1.029 0.535 1.00 14.23 H new ATOM 0 HD12 LEU A 81 7.737 0.485 1.587 1.00 14.23 H new ATOM 0 HD13 LEU A 81 7.703 2.162 0.992 1.00 14.23 H new ATOM 0 HD21 LEU A 81 6.760 1.414 -1.844 1.00 61.24 H new ATOM 0 HD22 LEU A 81 8.040 2.598 -1.489 1.00 61.24 H new ATOM 0 HD23 LEU A 81 8.370 1.230 -2.578 1.00 61.24 H new ATOM 1407 N LEU A 82 10.321 -0.128 -3.564 1.00 43.12 N ATOM 1408 CA LEU A 82 10.361 0.207 -4.971 1.00 45.14 C ATOM 1409 C LEU A 82 8.929 0.526 -5.419 1.00 13.43 C ATOM 1410 O LEU A 82 7.977 -0.122 -4.973 1.00 42.33 O ATOM 1411 CB LEU A 82 11.011 -0.982 -5.708 1.00 32.30 C ATOM 1412 CG LEU A 82 12.446 -1.334 -5.225 1.00 14.34 C ATOM 1413 CD1 LEU A 82 12.511 -2.472 -4.196 1.00 42.24 C ATOM 1414 CD2 LEU A 82 13.332 -1.740 -6.406 1.00 24.13 C ATOM 0 H LEU A 82 9.903 -1.043 -3.395 1.00 43.12 H new ATOM 0 HA LEU A 82 10.960 1.089 -5.196 1.00 45.14 H new ATOM 0 HB2 LEU A 82 10.375 -1.859 -5.587 1.00 32.30 H new ATOM 0 HB3 LEU A 82 11.045 -0.757 -6.774 1.00 32.30 H new ATOM 0 HG LEU A 82 12.799 -0.422 -4.743 1.00 14.34 H new ATOM 0 HD11 LEU A 82 13.549 -2.650 -3.915 1.00 42.24 H new ATOM 0 HD12 LEU A 82 11.938 -2.195 -3.311 1.00 42.24 H new ATOM 0 HD13 LEU A 82 12.092 -3.380 -4.630 1.00 42.24 H new ATOM 0 HD21 LEU A 82 14.332 -1.982 -6.045 1.00 24.13 H new ATOM 0 HD22 LEU A 82 12.903 -2.612 -6.899 1.00 24.13 H new ATOM 0 HD23 LEU A 82 13.393 -0.915 -7.116 1.00 24.13 H new ATOM 1426 N VAL A 83 8.742 1.526 -6.278 1.00 52.24 N ATOM 1427 CA VAL A 83 7.424 1.942 -6.766 1.00 65.33 C ATOM 1428 C VAL A 83 7.203 1.210 -8.074 1.00 52.42 C ATOM 1429 O VAL A 83 8.111 1.168 -8.888 1.00 64.14 O ATOM 1430 CB VAL A 83 7.359 3.477 -6.891 1.00 70.54 C ATOM 1431 CG1 VAL A 83 5.941 3.917 -7.272 1.00 74.24 C ATOM 1432 CG2 VAL A 83 7.740 4.147 -5.557 1.00 61.41 C ATOM 0 H VAL A 83 9.509 2.078 -6.661 1.00 52.24 H new ATOM 0 HA VAL A 83 6.621 1.684 -6.076 1.00 65.33 H new ATOM 0 HB VAL A 83 8.064 3.781 -7.665 1.00 70.54 H new ATOM 0 HG11 VAL A 83 5.908 5.003 -7.357 1.00 74.24 H new ATOM 0 HG12 VAL A 83 5.665 3.469 -8.227 1.00 74.24 H new ATOM 0 HG13 VAL A 83 5.240 3.592 -6.503 1.00 74.24 H new ATOM 0 HG21 VAL A 83 7.688 5.230 -5.666 1.00 61.41 H new ATOM 0 HG22 VAL A 83 7.048 3.827 -4.778 1.00 61.41 H new ATOM 0 HG23 VAL A 83 8.754 3.858 -5.282 1.00 61.41 H new ATOM 1442 N ASN A 84 6.057 0.547 -8.259 1.00 70.51 N ATOM 1443 CA ASN A 84 5.727 -0.257 -9.451 1.00 13.42 C ATOM 1444 C ASN A 84 6.701 -1.433 -9.659 1.00 21.22 C ATOM 1445 O ASN A 84 6.451 -2.303 -10.495 1.00 1.13 O ATOM 1446 CB ASN A 84 5.594 0.587 -10.737 1.00 11.31 C ATOM 1447 CG ASN A 84 4.167 1.065 -10.935 1.00 23.51 C ATOM 1448 OD1 ASN A 84 3.247 0.255 -11.007 1.00 70.13 O ATOM 1449 ND2 ASN A 84 3.954 2.360 -10.988 1.00 74.42 N ATOM 0 H ASN A 84 5.308 0.552 -7.566 1.00 70.51 H new ATOM 0 HA ASN A 84 4.742 -0.677 -9.246 1.00 13.42 H new ATOM 0 HB2 ASN A 84 6.264 1.445 -10.683 1.00 11.31 H new ATOM 0 HB3 ASN A 84 5.905 -0.005 -11.598 1.00 11.31 H new ATOM 0 HD21 ASN A 84 3.004 2.717 -11.092 1.00 74.42 H new ATOM 0 HD22 ASN A 84 4.739 3.009 -10.926 1.00 74.42 H new ATOM 1456 N GLY A 85 7.746 -1.542 -8.835 1.00 70.22 N ATOM 1457 CA GLY A 85 8.786 -2.546 -8.865 1.00 34.43 C ATOM 1458 C GLY A 85 10.165 -1.933 -9.135 1.00 2.10 C ATOM 1459 O GLY A 85 11.099 -2.708 -9.335 1.00 43.33 O ATOM 0 H GLY A 85 7.888 -0.875 -8.076 1.00 70.22 H new ATOM 0 HA2 GLY A 85 8.805 -3.077 -7.914 1.00 34.43 H new ATOM 0 HA3 GLY A 85 8.558 -3.282 -9.637 1.00 34.43 H new ATOM 1463 N HIS A 86 10.319 -0.596 -9.138 1.00 44.23 N ATOM 1464 CA HIS A 86 11.584 0.107 -9.378 1.00 5.12 C ATOM 1465 C HIS A 86 11.673 1.362 -8.487 1.00 33.14 C ATOM 1466 O HIS A 86 10.687 2.073 -8.315 1.00 52.45 O ATOM 1467 CB HIS A 86 11.718 0.461 -10.872 1.00 53.05 C ATOM 1468 CG HIS A 86 10.666 1.378 -11.456 1.00 30.51 C ATOM 1469 ND1 HIS A 86 9.316 1.148 -11.533 1.00 11.04 N flip ATOM 1470 CD2 HIS A 86 10.916 2.550 -12.130 1.00 13.30 C flip ATOM 1471 CE1 HIS A 86 8.738 2.195 -12.251 1.00 50.12 C flip ATOM 1472 NE2 HIS A 86 9.742 3.022 -12.574 1.00 72.35 N flip ATOM 0 H HIS A 86 9.540 0.040 -8.968 1.00 44.23 H new ATOM 0 HA HIS A 86 12.415 -0.547 -9.114 1.00 5.12 H new ATOM 0 HB2 HIS A 86 12.693 0.923 -11.025 1.00 53.05 H new ATOM 0 HB3 HIS A 86 11.713 -0.468 -11.442 1.00 53.05 H new ATOM 0 HD2 HIS A 86 11.883 3.008 -12.276 1.00 13.30 H new ATOM 0 HE1 HIS A 86 7.693 2.315 -12.497 1.00 50.12 H new ATOM 0 HE2 HIS A 86 9.628 3.895 -13.089 1.00 72.35 H new ATOM 1480 N SER A 87 12.817 1.646 -7.859 1.00 21.21 N ATOM 1481 CA SER A 87 12.981 2.822 -7.007 1.00 73.43 C ATOM 1482 C SER A 87 13.674 3.901 -7.839 1.00 13.44 C ATOM 1483 O SER A 87 14.902 3.992 -7.827 1.00 72.24 O ATOM 1484 CB SER A 87 13.744 2.459 -5.717 1.00 54.05 C ATOM 1485 OG SER A 87 13.497 3.394 -4.682 1.00 30.33 O ATOM 0 H SER A 87 13.654 1.067 -7.928 1.00 21.21 H new ATOM 0 HA SER A 87 12.018 3.207 -6.672 1.00 73.43 H new ATOM 0 HB2 SER A 87 13.447 1.464 -5.387 1.00 54.05 H new ATOM 0 HB3 SER A 87 14.813 2.420 -5.925 1.00 54.05 H new ATOM 0 HG SER A 87 13.995 3.132 -3.879 1.00 30.33 H new ATOM 1491 N MET A 88 12.918 4.696 -8.605 1.00 51.04 N ATOM 1492 CA MET A 88 13.499 5.769 -9.425 1.00 72.21 C ATOM 1493 C MET A 88 13.323 7.153 -8.798 1.00 25.51 C ATOM 1494 O MET A 88 13.777 8.140 -9.377 1.00 12.21 O ATOM 1495 CB MET A 88 13.006 5.714 -10.880 1.00 44.13 C ATOM 1496 CG MET A 88 11.567 6.203 -11.062 1.00 64.51 C ATOM 1497 SD MET A 88 11.048 6.416 -12.787 1.00 64.34 S ATOM 1498 CE MET A 88 9.653 7.544 -12.521 1.00 54.25 C ATOM 0 H MET A 88 11.903 4.618 -8.675 1.00 51.04 H new ATOM 0 HA MET A 88 14.574 5.589 -9.452 1.00 72.21 H new ATOM 0 HB2 MET A 88 13.667 6.319 -11.501 1.00 44.13 H new ATOM 0 HB3 MET A 88 13.080 4.688 -11.241 1.00 44.13 H new ATOM 0 HG2 MET A 88 10.894 5.494 -10.580 1.00 64.51 H new ATOM 0 HG3 MET A 88 11.453 7.155 -10.543 1.00 64.51 H new ATOM 0 HE1 MET A 88 8.965 7.477 -13.364 1.00 54.25 H new ATOM 0 HE2 MET A 88 9.132 7.268 -11.604 1.00 54.25 H new ATOM 0 HE3 MET A 88 10.023 8.566 -12.435 1.00 54.25 H new ATOM 1508 N VAL A 89 12.677 7.245 -7.637 1.00 41.03 N ATOM 1509 CA VAL A 89 12.435 8.497 -6.932 1.00 33.11 C ATOM 1510 C VAL A 89 13.270 8.498 -5.644 1.00 41.24 C ATOM 1511 O VAL A 89 13.668 7.444 -5.138 1.00 34.21 O ATOM 1512 CB VAL A 89 10.915 8.708 -6.727 1.00 42.33 C ATOM 1513 CG1 VAL A 89 10.636 10.112 -6.168 1.00 42.31 C ATOM 1514 CG2 VAL A 89 10.136 8.560 -8.048 1.00 12.00 C ATOM 0 H VAL A 89 12.300 6.431 -7.151 1.00 41.03 H new ATOM 0 HA VAL A 89 12.759 9.359 -7.514 1.00 33.11 H new ATOM 0 HB VAL A 89 10.584 7.943 -6.024 1.00 42.33 H new ATOM 0 HG11 VAL A 89 9.563 10.242 -6.030 1.00 42.31 H new ATOM 0 HG12 VAL A 89 11.142 10.229 -5.209 1.00 42.31 H new ATOM 0 HG13 VAL A 89 11.006 10.862 -6.867 1.00 42.31 H new ATOM 0 HG21 VAL A 89 9.073 8.715 -7.863 1.00 12.00 H new ATOM 0 HG22 VAL A 89 10.491 9.300 -8.765 1.00 12.00 H new ATOM 0 HG23 VAL A 89 10.292 7.560 -8.452 1.00 12.00 H new ATOM 1524 N SER A 90 13.546 9.693 -5.130 1.00 44.35 N ATOM 1525 CA SER A 90 14.326 9.990 -3.937 1.00 70.55 C ATOM 1526 C SER A 90 13.711 9.396 -2.655 1.00 32.11 C ATOM 1527 O SER A 90 12.626 8.814 -2.701 1.00 14.32 O ATOM 1528 CB SER A 90 14.516 11.516 -3.869 1.00 5.03 C ATOM 1529 OG SER A 90 14.396 12.138 -5.148 1.00 23.42 O ATOM 0 H SER A 90 13.202 10.545 -5.574 1.00 44.35 H new ATOM 0 HA SER A 90 15.301 9.507 -4.005 1.00 70.55 H new ATOM 0 HB2 SER A 90 13.776 11.941 -3.191 1.00 5.03 H new ATOM 0 HB3 SER A 90 15.498 11.739 -3.451 1.00 5.03 H new ATOM 0 HG SER A 90 14.522 13.105 -5.054 1.00 23.42 H new ATOM 1535 N VAL A 91 14.356 9.583 -1.496 1.00 33.54 N ATOM 1536 CA VAL A 91 13.911 9.060 -0.191 1.00 3.00 C ATOM 1537 C VAL A 91 13.268 10.090 0.762 1.00 25.50 C ATOM 1538 O VAL A 91 12.932 9.758 1.902 1.00 63.35 O ATOM 1539 CB VAL A 91 15.090 8.331 0.484 1.00 63.34 C ATOM 1540 CG1 VAL A 91 15.481 7.061 -0.289 1.00 31.40 C ATOM 1541 CG2 VAL A 91 16.330 9.223 0.655 1.00 41.04 C ATOM 0 H VAL A 91 15.224 10.115 -1.435 1.00 33.54 H new ATOM 0 HA VAL A 91 13.095 8.370 -0.405 1.00 3.00 H new ATOM 0 HB VAL A 91 14.735 8.059 1.478 1.00 63.34 H new ATOM 0 HG11 VAL A 91 16.315 6.571 0.214 1.00 31.40 H new ATOM 0 HG12 VAL A 91 14.630 6.381 -0.326 1.00 31.40 H new ATOM 0 HG13 VAL A 91 15.776 7.329 -1.304 1.00 31.40 H new ATOM 0 HG21 VAL A 91 17.125 8.653 1.136 1.00 41.04 H new ATOM 0 HG22 VAL A 91 16.669 9.566 -0.323 1.00 41.04 H new ATOM 0 HG23 VAL A 91 16.076 10.084 1.273 1.00 41.04 H new ATOM 1551 N SER A 92 13.147 11.349 0.352 1.00 52.31 N ATOM 1552 CA SER A 92 12.554 12.445 1.142 1.00 1.02 C ATOM 1553 C SER A 92 11.442 13.216 0.405 1.00 45.03 C ATOM 1554 O SER A 92 11.111 14.348 0.764 1.00 23.53 O ATOM 1555 CB SER A 92 13.678 13.345 1.669 1.00 74.24 C ATOM 1556 OG SER A 92 14.806 13.385 0.811 1.00 65.34 O ATOM 0 H SER A 92 13.467 11.654 -0.568 1.00 52.31 H new ATOM 0 HA SER A 92 12.030 12.008 1.992 1.00 1.02 H new ATOM 0 HB2 SER A 92 13.294 14.356 1.802 1.00 74.24 H new ATOM 0 HB3 SER A 92 13.989 12.991 2.652 1.00 74.24 H new ATOM 0 HG SER A 92 15.489 13.974 1.195 1.00 65.34 H new ATOM 1562 N THR A 93 10.928 12.635 -0.671 1.00 22.30 N ATOM 1563 CA THR A 93 9.894 13.150 -1.555 1.00 63.21 C ATOM 1564 C THR A 93 8.500 12.881 -0.968 1.00 71.44 C ATOM 1565 O THR A 93 8.311 11.842 -0.326 1.00 54.15 O ATOM 1566 CB THR A 93 10.022 12.378 -2.896 1.00 10.32 C ATOM 1567 OG1 THR A 93 11.332 11.883 -3.119 1.00 62.51 O ATOM 1568 CG2 THR A 93 9.623 13.184 -4.131 1.00 1.34 C ATOM 0 H THR A 93 11.251 11.715 -0.971 1.00 22.30 H new ATOM 0 HA THR A 93 10.014 14.225 -1.687 1.00 63.21 H new ATOM 0 HB THR A 93 9.317 11.556 -2.772 1.00 10.32 H new ATOM 0 HG1 THR A 93 11.365 10.931 -2.890 1.00 62.51 H new ATOM 0 HG21 THR A 93 9.743 12.568 -5.022 1.00 1.34 H new ATOM 0 HG22 THR A 93 8.582 13.494 -4.042 1.00 1.34 H new ATOM 0 HG23 THR A 93 10.259 14.066 -4.211 1.00 1.34 H new ATOM 1576 N PRO A 94 7.498 13.737 -1.203 1.00 34.20 N ATOM 1577 CA PRO A 94 6.165 13.484 -0.704 1.00 41.31 C ATOM 1578 C PRO A 94 5.434 12.454 -1.593 1.00 12.24 C ATOM 1579 O PRO A 94 5.636 12.312 -2.817 1.00 21.51 O ATOM 1580 CB PRO A 94 5.486 14.846 -0.696 1.00 52.31 C ATOM 1581 CG PRO A 94 6.134 15.582 -1.864 1.00 42.45 C ATOM 1582 CD PRO A 94 7.554 15.010 -1.899 1.00 74.11 C ATOM 0 HA PRO A 94 6.162 13.045 0.294 1.00 41.31 H new ATOM 0 HB2 PRO A 94 4.408 14.756 -0.828 1.00 52.31 H new ATOM 0 HB3 PRO A 94 5.649 15.369 0.246 1.00 52.31 H new ATOM 0 HG2 PRO A 94 5.604 15.399 -2.799 1.00 42.45 H new ATOM 0 HG3 PRO A 94 6.139 16.661 -1.707 1.00 42.45 H new ATOM 0 HD2 PRO A 94 7.894 14.877 -2.926 1.00 74.11 H new ATOM 0 HD3 PRO A 94 8.258 15.687 -1.415 1.00 74.11 H new ATOM 1590 N ILE A 95 4.592 11.665 -0.933 1.00 1.44 N ATOM 1591 CA ILE A 95 3.800 10.651 -1.604 1.00 45.02 C ATOM 1592 C ILE A 95 2.759 11.305 -2.516 1.00 54.21 C ATOM 1593 O ILE A 95 2.263 10.625 -3.406 1.00 4.03 O ATOM 1594 CB ILE A 95 3.256 9.607 -0.611 1.00 14.31 C ATOM 1595 CG1 ILE A 95 2.571 8.427 -1.345 1.00 23.52 C ATOM 1596 CG2 ILE A 95 2.380 10.214 0.495 1.00 54.15 C ATOM 1597 CD1 ILE A 95 2.638 7.141 -0.523 1.00 14.30 C ATOM 0 H ILE A 95 4.443 11.713 0.075 1.00 1.44 H new ATOM 0 HA ILE A 95 4.435 10.067 -2.270 1.00 45.02 H new ATOM 0 HB ILE A 95 4.121 9.198 -0.088 1.00 14.31 H new ATOM 0 HG12 ILE A 95 1.529 8.678 -1.546 1.00 23.52 H new ATOM 0 HG13 ILE A 95 3.053 8.269 -2.310 1.00 23.52 H new ATOM 0 HG21 ILE A 95 2.031 9.423 1.158 1.00 54.15 H new ATOM 0 HG22 ILE A 95 2.964 10.935 1.067 1.00 54.15 H new ATOM 0 HG23 ILE A 95 1.523 10.715 0.046 1.00 54.15 H new ATOM 0 HD11 ILE A 95 2.148 6.335 -1.068 1.00 14.30 H new ATOM 0 HD12 ILE A 95 3.680 6.877 -0.345 1.00 14.30 H new ATOM 0 HD13 ILE A 95 2.134 7.292 0.431 1.00 14.30 H new ATOM 1609 N SER A 96 2.398 12.577 -2.309 1.00 12.42 N ATOM 1610 CA SER A 96 1.435 13.284 -3.142 1.00 45.45 C ATOM 1611 C SER A 96 2.001 13.388 -4.562 1.00 31.54 C ATOM 1612 O SER A 96 1.323 13.005 -5.514 1.00 63.44 O ATOM 1613 CB SER A 96 1.164 14.681 -2.574 1.00 21.52 C ATOM 1614 OG SER A 96 2.332 15.243 -2.004 1.00 32.51 O ATOM 0 H SER A 96 2.774 13.145 -1.549 1.00 12.42 H new ATOM 0 HA SER A 96 0.492 12.738 -3.160 1.00 45.45 H new ATOM 0 HB2 SER A 96 0.795 15.332 -3.366 1.00 21.52 H new ATOM 0 HB3 SER A 96 0.381 14.622 -1.818 1.00 21.52 H new ATOM 0 HG SER A 96 2.128 16.134 -1.652 1.00 32.51 H new ATOM 1620 N GLU A 97 3.240 13.878 -4.714 1.00 4.13 N ATOM 1621 CA GLU A 97 3.831 13.992 -6.034 1.00 42.33 C ATOM 1622 C GLU A 97 4.100 12.599 -6.575 1.00 41.15 C ATOM 1623 O GLU A 97 3.805 12.367 -7.746 1.00 43.24 O ATOM 1624 CB GLU A 97 5.042 14.928 -6.072 1.00 45.22 C ATOM 1625 CG GLU A 97 6.366 14.376 -5.526 1.00 61.45 C ATOM 1626 CD GLU A 97 7.478 15.423 -5.616 1.00 34.13 C ATOM 1627 OE1 GLU A 97 7.455 16.387 -4.817 1.00 44.15 O ATOM 1628 OE2 GLU A 97 8.343 15.354 -6.524 1.00 42.22 O ATOM 0 H GLU A 97 3.835 14.194 -3.948 1.00 4.13 H new ATOM 0 HA GLU A 97 3.121 14.479 -6.703 1.00 42.33 H new ATOM 0 HB2 GLU A 97 5.203 15.232 -7.106 1.00 45.22 H new ATOM 0 HB3 GLU A 97 4.793 15.828 -5.510 1.00 45.22 H new ATOM 0 HG2 GLU A 97 6.235 14.068 -4.489 1.00 61.45 H new ATOM 0 HG3 GLU A 97 6.653 13.487 -6.088 1.00 61.45 H new ATOM 1635 N VAL A 98 4.598 11.660 -5.746 1.00 42.21 N ATOM 1636 CA VAL A 98 4.812 10.315 -6.297 1.00 62.32 C ATOM 1637 C VAL A 98 3.477 9.755 -6.813 1.00 5.21 C ATOM 1638 O VAL A 98 3.456 9.084 -7.842 1.00 54.11 O ATOM 1639 CB VAL A 98 5.582 9.402 -5.329 1.00 11.23 C ATOM 1640 CG1 VAL A 98 5.549 7.916 -5.720 1.00 45.41 C ATOM 1641 CG2 VAL A 98 7.045 9.861 -5.338 1.00 45.22 C ATOM 0 H VAL A 98 4.843 11.793 -4.765 1.00 42.21 H new ATOM 0 HA VAL A 98 5.475 10.370 -7.161 1.00 62.32 H new ATOM 0 HB VAL A 98 5.107 9.483 -4.351 1.00 11.23 H new ATOM 0 HG11 VAL A 98 6.113 7.335 -4.990 1.00 45.41 H new ATOM 0 HG12 VAL A 98 4.516 7.568 -5.740 1.00 45.41 H new ATOM 0 HG13 VAL A 98 5.994 7.789 -6.707 1.00 45.41 H new ATOM 0 HG21 VAL A 98 7.627 9.236 -4.661 1.00 45.22 H new ATOM 0 HG22 VAL A 98 7.447 9.775 -6.347 1.00 45.22 H new ATOM 0 HG23 VAL A 98 7.103 10.900 -5.012 1.00 45.22 H new ATOM 1651 N TYR A 99 2.367 10.027 -6.125 1.00 21.23 N ATOM 1652 CA TYR A 99 1.053 9.567 -6.524 1.00 52.05 C ATOM 1653 C TYR A 99 0.713 10.067 -7.921 1.00 21.40 C ATOM 1654 O TYR A 99 0.486 9.246 -8.806 1.00 64.55 O ATOM 1655 CB TYR A 99 -0.008 10.022 -5.523 1.00 13.21 C ATOM 1656 CG TYR A 99 -1.429 9.625 -5.854 1.00 45.14 C ATOM 1657 CD1 TYR A 99 -1.797 8.276 -5.797 1.00 5.21 C ATOM 1658 CD2 TYR A 99 -2.398 10.597 -6.153 1.00 31.42 C ATOM 1659 CE1 TYR A 99 -3.120 7.877 -6.018 1.00 53.21 C ATOM 1660 CE2 TYR A 99 -3.728 10.209 -6.388 1.00 61.32 C ATOM 1661 CZ TYR A 99 -4.098 8.850 -6.306 1.00 50.05 C ATOM 1662 OH TYR A 99 -5.393 8.484 -6.493 1.00 23.52 O ATOM 0 H TYR A 99 2.364 10.579 -5.267 1.00 21.23 H new ATOM 0 HA TYR A 99 1.065 8.477 -6.539 1.00 52.05 H new ATOM 0 HB2 TYR A 99 0.245 9.617 -4.543 1.00 13.21 H new ATOM 0 HB3 TYR A 99 0.037 11.108 -5.441 1.00 13.21 H new ATOM 0 HD1 TYR A 99 -1.047 7.530 -5.579 1.00 5.21 H new ATOM 0 HD2 TYR A 99 -2.122 11.640 -6.202 1.00 31.42 H new ATOM 0 HE1 TYR A 99 -3.389 6.832 -5.968 1.00 53.21 H new ATOM 0 HE2 TYR A 99 -4.470 10.954 -6.632 1.00 61.32 H new ATOM 0 HH TYR A 99 -5.430 7.704 -7.085 1.00 23.52 H new ATOM 1672 N GLU A 100 0.656 11.385 -8.137 1.00 70.34 N ATOM 1673 CA GLU A 100 0.323 11.897 -9.468 1.00 62.31 C ATOM 1674 C GLU A 100 1.391 11.572 -10.526 1.00 24.20 C ATOM 1675 O GLU A 100 1.084 11.670 -11.714 1.00 4.23 O ATOM 1676 CB GLU A 100 -0.048 13.388 -9.434 1.00 14.02 C ATOM 1677 CG GLU A 100 0.948 14.293 -8.707 1.00 5.14 C ATOM 1678 CD GLU A 100 0.640 15.777 -8.928 1.00 50.21 C ATOM 1679 OE1 GLU A 100 -0.488 16.226 -8.613 1.00 74.51 O ATOM 1680 OE2 GLU A 100 1.536 16.537 -9.369 1.00 23.34 O ATOM 0 H GLU A 100 0.831 12.098 -7.429 1.00 70.34 H new ATOM 0 HA GLU A 100 -0.570 11.360 -9.787 1.00 62.31 H new ATOM 0 HB2 GLU A 100 -0.154 13.742 -10.459 1.00 14.02 H new ATOM 0 HB3 GLU A 100 -1.023 13.492 -8.958 1.00 14.02 H new ATOM 0 HG2 GLU A 100 0.926 14.073 -7.640 1.00 5.14 H new ATOM 0 HG3 GLU A 100 1.957 14.076 -9.056 1.00 5.14 H new ATOM 1687 N SER A 101 2.595 11.142 -10.141 1.00 2.23 N ATOM 1688 CA SER A 101 3.669 10.792 -11.062 1.00 63.45 C ATOM 1689 C SER A 101 3.569 9.324 -11.518 1.00 25.24 C ATOM 1690 O SER A 101 3.709 9.036 -12.708 1.00 63.42 O ATOM 1691 CB SER A 101 4.986 11.056 -10.316 1.00 4.00 C ATOM 1692 OG SER A 101 6.159 10.873 -11.079 1.00 50.24 O ATOM 0 H SER A 101 2.851 11.027 -9.161 1.00 2.23 H new ATOM 0 HA SER A 101 3.608 11.391 -11.971 1.00 63.45 H new ATOM 0 HB2 SER A 101 4.973 12.079 -9.940 1.00 4.00 H new ATOM 0 HB3 SER A 101 5.031 10.398 -9.448 1.00 4.00 H new ATOM 0 HG SER A 101 6.944 11.065 -10.524 1.00 50.24 H new ATOM 1698 N GLU A 102 3.191 8.409 -10.617 1.00 61.42 N ATOM 1699 CA GLU A 102 3.089 6.969 -10.876 1.00 51.45 C ATOM 1700 C GLU A 102 1.654 6.442 -10.845 1.00 51.41 C ATOM 1701 O GLU A 102 1.454 5.231 -10.878 1.00 62.31 O ATOM 1702 CB GLU A 102 3.980 6.238 -9.853 1.00 53.34 C ATOM 1703 CG GLU A 102 5.481 6.417 -10.141 1.00 32.34 C ATOM 1704 CD GLU A 102 5.965 5.637 -11.371 1.00 73.24 C ATOM 1705 OE1 GLU A 102 5.489 4.508 -11.617 1.00 50.01 O ATOM 1706 OE2 GLU A 102 6.884 6.110 -12.072 1.00 64.24 O ATOM 0 H GLU A 102 2.941 8.658 -9.660 1.00 61.42 H new ATOM 0 HA GLU A 102 3.432 6.777 -11.892 1.00 51.45 H new ATOM 0 HB2 GLU A 102 3.759 6.610 -8.853 1.00 53.34 H new ATOM 0 HB3 GLU A 102 3.737 5.175 -9.859 1.00 53.34 H new ATOM 0 HG2 GLU A 102 5.691 7.477 -10.287 1.00 32.34 H new ATOM 0 HG3 GLU A 102 6.051 6.096 -9.269 1.00 32.34 H new ATOM 1713 N LYS A 103 0.639 7.308 -10.759 1.00 63.53 N ATOM 1714 CA LYS A 103 -0.771 6.911 -10.718 1.00 34.44 C ATOM 1715 C LYS A 103 -1.093 5.947 -11.844 1.00 61.35 C ATOM 1716 O LYS A 103 -0.913 6.270 -13.019 1.00 61.25 O ATOM 1717 CB LYS A 103 -1.701 8.144 -10.768 1.00 25.13 C ATOM 1718 CG LYS A 103 -1.234 9.257 -11.729 1.00 11.22 C ATOM 1719 CD LYS A 103 -2.124 10.508 -11.678 1.00 63.12 C ATOM 1720 CE LYS A 103 -3.430 10.342 -12.432 1.00 11.10 C ATOM 1721 NZ LYS A 103 -3.237 10.151 -13.885 1.00 50.03 N ATOM 0 H LYS A 103 0.776 8.318 -10.715 1.00 63.53 H new ATOM 0 HA LYS A 103 -0.946 6.400 -9.771 1.00 34.44 H new ATOM 0 HB2 LYS A 103 -2.698 7.820 -11.065 1.00 25.13 H new ATOM 0 HB3 LYS A 103 -1.787 8.560 -9.764 1.00 25.13 H new ATOM 0 HG2 LYS A 103 -0.210 9.536 -11.482 1.00 11.22 H new ATOM 0 HG3 LYS A 103 -1.221 8.868 -12.747 1.00 11.22 H new ATOM 0 HD2 LYS A 103 -2.341 10.750 -10.638 1.00 63.12 H new ATOM 0 HD3 LYS A 103 -1.576 11.353 -12.094 1.00 63.12 H new ATOM 0 HE2 LYS A 103 -3.971 9.487 -12.027 1.00 11.10 H new ATOM 0 HE3 LYS A 103 -4.053 11.221 -12.266 1.00 11.10 H new ATOM 0 HZ1 LYS A 103 -4.145 10.280 -14.376 1.00 50.03 H new ATOM 0 HZ2 LYS A 103 -2.550 10.847 -14.239 1.00 50.03 H new ATOM 0 HZ3 LYS A 103 -2.880 9.191 -14.065 1.00 50.03 H new ATOM 1735 N ASP A 104 -1.620 4.785 -11.479 1.00 53.32 N ATOM 1736 CA ASP A 104 -2.010 3.786 -12.458 1.00 33.10 C ATOM 1737 C ASP A 104 -3.339 4.258 -13.028 1.00 11.12 C ATOM 1738 O ASP A 104 -4.036 5.040 -12.375 1.00 50.14 O ATOM 1739 CB ASP A 104 -2.154 2.408 -11.795 1.00 45.12 C ATOM 1740 CG ASP A 104 -0.970 1.496 -12.103 1.00 62.53 C ATOM 1741 OD1 ASP A 104 0.190 1.927 -11.919 1.00 31.43 O ATOM 1742 OD2 ASP A 104 -1.209 0.334 -12.517 1.00 14.20 O ATOM 0 H ASP A 104 -1.786 4.514 -10.510 1.00 53.32 H new ATOM 0 HA ASP A 104 -1.261 3.678 -13.242 1.00 33.10 H new ATOM 0 HB2 ASP A 104 -2.244 2.533 -10.716 1.00 45.12 H new ATOM 0 HB3 ASP A 104 -3.074 1.935 -12.139 1.00 45.12 H new ATOM 1747 N GLU A 105 -3.759 3.755 -14.187 1.00 72.21 N ATOM 1748 CA GLU A 105 -5.029 4.141 -14.808 1.00 31.43 C ATOM 1749 C GLU A 105 -6.217 3.884 -13.847 1.00 22.32 C ATOM 1750 O GLU A 105 -7.241 4.560 -13.932 1.00 5.30 O ATOM 1751 CB GLU A 105 -5.137 3.441 -16.179 1.00 50.01 C ATOM 1752 CG GLU A 105 -6.544 3.325 -16.791 1.00 23.10 C ATOM 1753 CD GLU A 105 -7.030 4.623 -17.440 1.00 11.34 C ATOM 1754 OE1 GLU A 105 -6.740 4.820 -18.640 1.00 31.23 O ATOM 1755 OE2 GLU A 105 -7.756 5.407 -16.781 1.00 50.01 O ATOM 0 H GLU A 105 -3.230 3.068 -14.724 1.00 72.21 H new ATOM 0 HA GLU A 105 -5.065 5.214 -14.997 1.00 31.43 H new ATOM 0 HB2 GLU A 105 -4.503 3.977 -16.885 1.00 50.01 H new ATOM 0 HB3 GLU A 105 -4.726 2.436 -16.081 1.00 50.01 H new ATOM 0 HG2 GLU A 105 -6.544 2.531 -17.538 1.00 23.10 H new ATOM 0 HG3 GLU A 105 -7.248 3.030 -16.013 1.00 23.10 H new ATOM 1762 N ASP A 106 -6.109 2.949 -12.892 1.00 4.32 N ATOM 1763 CA ASP A 106 -7.182 2.662 -11.931 1.00 30.21 C ATOM 1764 C ASP A 106 -7.320 3.830 -10.934 1.00 5.04 C ATOM 1765 O ASP A 106 -8.366 4.014 -10.318 1.00 5.13 O ATOM 1766 CB ASP A 106 -6.887 1.423 -11.054 1.00 74.45 C ATOM 1767 CG ASP A 106 -6.481 0.116 -11.722 1.00 45.34 C ATOM 1768 OD1 ASP A 106 -5.491 0.116 -12.496 1.00 14.00 O ATOM 1769 OD2 ASP A 106 -7.068 -0.933 -11.392 1.00 73.44 O ATOM 0 H ASP A 106 -5.277 2.372 -12.765 1.00 4.32 H new ATOM 0 HA ASP A 106 -8.076 2.499 -12.532 1.00 30.21 H new ATOM 0 HB2 ASP A 106 -6.093 1.696 -10.358 1.00 74.45 H new ATOM 0 HB3 ASP A 106 -7.778 1.224 -10.459 1.00 74.45 H new ATOM 1774 N GLY A 107 -6.234 4.587 -10.736 1.00 30.34 N ATOM 1775 CA GLY A 107 -6.083 5.726 -9.838 1.00 22.43 C ATOM 1776 C GLY A 107 -5.339 5.332 -8.553 1.00 10.04 C ATOM 1777 O GLY A 107 -5.254 6.136 -7.627 1.00 10.40 O ATOM 0 H GLY A 107 -5.370 4.398 -11.244 1.00 30.34 H new ATOM 0 HA2 GLY A 107 -5.538 6.522 -10.346 1.00 22.43 H new ATOM 0 HA3 GLY A 107 -7.066 6.124 -9.584 1.00 22.43 H new ATOM 1781 N PHE A 108 -4.865 4.087 -8.438 1.00 13.31 N ATOM 1782 CA PHE A 108 -4.121 3.565 -7.290 1.00 43.15 C ATOM 1783 C PHE A 108 -2.609 3.751 -7.470 1.00 11.04 C ATOM 1784 O PHE A 108 -2.135 3.876 -8.598 1.00 65.42 O ATOM 1785 CB PHE A 108 -4.359 2.045 -7.197 1.00 3.03 C ATOM 1786 CG PHE A 108 -5.606 1.596 -6.471 1.00 12.00 C ATOM 1787 CD1 PHE A 108 -5.689 1.780 -5.080 1.00 10.52 C ATOM 1788 CD2 PHE A 108 -6.621 0.889 -7.146 1.00 31.24 C ATOM 1789 CE1 PHE A 108 -6.776 1.255 -4.365 1.00 61.12 C ATOM 1790 CE2 PHE A 108 -7.713 0.370 -6.427 1.00 50.21 C ATOM 1791 CZ PHE A 108 -7.786 0.547 -5.036 1.00 11.13 C ATOM 0 H PHE A 108 -4.995 3.390 -9.171 1.00 13.31 H new ATOM 0 HA PHE A 108 -4.461 4.101 -6.404 1.00 43.15 H new ATOM 0 HB2 PHE A 108 -4.392 1.643 -8.210 1.00 3.03 H new ATOM 0 HB3 PHE A 108 -3.497 1.595 -6.703 1.00 3.03 H new ATOM 0 HD1 PHE A 108 -4.915 2.326 -4.561 1.00 10.52 H new ATOM 0 HD2 PHE A 108 -6.561 0.746 -8.215 1.00 31.24 H new ATOM 0 HE1 PHE A 108 -6.836 1.396 -3.296 1.00 61.12 H new ATOM 0 HE2 PHE A 108 -8.495 -0.165 -6.945 1.00 50.21 H new ATOM 0 HZ PHE A 108 -8.619 0.139 -4.482 1.00 11.13 H new ATOM 1801 N LEU A 109 -1.858 3.697 -6.362 1.00 22.50 N ATOM 1802 CA LEU A 109 -0.393 3.775 -6.342 1.00 5.22 C ATOM 1803 C LEU A 109 0.084 2.353 -6.052 1.00 1.02 C ATOM 1804 O LEU A 109 -0.422 1.726 -5.114 1.00 62.42 O ATOM 1805 CB LEU A 109 0.089 4.786 -5.292 1.00 62.34 C ATOM 1806 CG LEU A 109 1.589 4.769 -4.938 1.00 22.30 C ATOM 1807 CD1 LEU A 109 2.573 4.867 -6.109 1.00 54.01 C ATOM 1808 CD2 LEU A 109 1.878 5.961 -4.016 1.00 64.51 C ATOM 0 H LEU A 109 -2.264 3.595 -5.432 1.00 22.50 H new ATOM 0 HA LEU A 109 0.016 4.133 -7.287 1.00 5.22 H new ATOM 0 HB2 LEU A 109 -0.164 5.786 -5.644 1.00 62.34 H new ATOM 0 HB3 LEU A 109 -0.477 4.618 -4.376 1.00 62.34 H new ATOM 0 HG LEU A 109 1.753 3.790 -4.487 1.00 22.30 H new ATOM 0 HD11 LEU A 109 3.594 4.845 -5.729 1.00 54.01 H new ATOM 0 HD12 LEU A 109 2.419 4.026 -6.785 1.00 54.01 H new ATOM 0 HD13 LEU A 109 2.407 5.800 -6.647 1.00 54.01 H new ATOM 0 HD21 LEU A 109 2.936 5.969 -3.752 1.00 64.51 H new ATOM 0 HD22 LEU A 109 1.625 6.888 -4.530 1.00 64.51 H new ATOM 0 HD23 LEU A 109 1.279 5.874 -3.110 1.00 64.51 H new ATOM 1820 N TYR A 110 1.012 1.819 -6.843 1.00 13.02 N ATOM 1821 CA TYR A 110 1.551 0.472 -6.694 1.00 31.44 C ATOM 1822 C TYR A 110 2.919 0.545 -6.010 1.00 12.24 C ATOM 1823 O TYR A 110 3.830 1.209 -6.505 1.00 3.00 O ATOM 1824 CB TYR A 110 1.652 -0.167 -8.090 1.00 62.22 C ATOM 1825 CG TYR A 110 0.328 -0.607 -8.701 1.00 65.25 C ATOM 1826 CD1 TYR A 110 -0.696 0.320 -8.992 1.00 31.32 C ATOM 1827 CD2 TYR A 110 0.111 -1.971 -8.968 1.00 5.32 C ATOM 1828 CE1 TYR A 110 -1.939 -0.118 -9.481 1.00 11.24 C ATOM 1829 CE2 TYR A 110 -1.117 -2.411 -9.485 1.00 21.33 C ATOM 1830 CZ TYR A 110 -2.152 -1.485 -9.748 1.00 63.11 C ATOM 1831 OH TYR A 110 -3.347 -1.905 -10.250 1.00 54.45 O ATOM 0 H TYR A 110 1.420 2.327 -7.627 1.00 13.02 H new ATOM 0 HA TYR A 110 0.900 -0.142 -6.072 1.00 31.44 H new ATOM 0 HB2 TYR A 110 2.126 0.546 -8.765 1.00 62.22 H new ATOM 0 HB3 TYR A 110 2.311 -1.033 -8.028 1.00 62.22 H new ATOM 0 HD1 TYR A 110 -0.523 1.375 -8.838 1.00 31.32 H new ATOM 0 HD2 TYR A 110 0.897 -2.686 -8.773 1.00 5.32 H new ATOM 0 HE1 TYR A 110 -2.732 0.595 -9.652 1.00 11.24 H new ATOM 0 HE2 TYR A 110 -1.272 -3.461 -9.683 1.00 21.33 H new ATOM 0 HH TYR A 110 -3.742 -1.192 -10.795 1.00 54.45 H new ATOM 1841 N MET A 111 3.098 -0.144 -4.879 1.00 61.15 N ATOM 1842 CA MET A 111 4.342 -0.149 -4.115 1.00 72.52 C ATOM 1843 C MET A 111 4.706 -1.581 -3.726 1.00 5.33 C ATOM 1844 O MET A 111 3.906 -2.316 -3.136 1.00 45.45 O ATOM 1845 CB MET A 111 4.140 0.730 -2.870 1.00 61.32 C ATOM 1846 CG MET A 111 4.124 2.225 -3.214 1.00 73.12 C ATOM 1847 SD MET A 111 3.416 3.308 -1.939 1.00 43.22 S ATOM 1848 CE MET A 111 4.675 3.232 -0.643 1.00 45.21 C ATOM 0 H MET A 111 2.368 -0.723 -4.464 1.00 61.15 H new ATOM 0 HA MET A 111 5.163 0.250 -4.711 1.00 72.52 H new ATOM 0 HB2 MET A 111 3.202 0.460 -2.385 1.00 61.32 H new ATOM 0 HB3 MET A 111 4.938 0.532 -2.154 1.00 61.32 H new ATOM 0 HG2 MET A 111 5.146 2.546 -3.413 1.00 73.12 H new ATOM 0 HG3 MET A 111 3.561 2.362 -4.137 1.00 73.12 H new ATOM 0 HE1 MET A 111 4.533 4.060 0.052 1.00 45.21 H new ATOM 0 HE2 MET A 111 4.587 2.288 -0.105 1.00 45.21 H new ATOM 0 HE3 MET A 111 5.665 3.302 -1.093 1.00 45.21 H new ATOM 1858 N VAL A 112 5.968 -1.958 -3.930 1.00 33.50 N ATOM 1859 CA VAL A 112 6.454 -3.299 -3.622 1.00 61.21 C ATOM 1860 C VAL A 112 7.698 -3.179 -2.744 1.00 64.22 C ATOM 1861 O VAL A 112 8.491 -2.256 -2.948 1.00 73.22 O ATOM 1862 CB VAL A 112 6.714 -4.084 -4.932 1.00 62.33 C ATOM 1863 CG1 VAL A 112 6.667 -5.586 -4.646 1.00 4.22 C ATOM 1864 CG2 VAL A 112 5.696 -3.795 -6.054 1.00 3.30 C ATOM 0 H VAL A 112 6.682 -1.339 -4.314 1.00 33.50 H new ATOM 0 HA VAL A 112 5.706 -3.865 -3.067 1.00 61.21 H new ATOM 0 HB VAL A 112 7.693 -3.756 -5.280 1.00 62.33 H new ATOM 0 HG11 VAL A 112 6.850 -6.138 -5.568 1.00 4.22 H new ATOM 0 HG12 VAL A 112 7.432 -5.841 -3.913 1.00 4.22 H new ATOM 0 HG13 VAL A 112 5.685 -5.851 -4.253 1.00 4.22 H new ATOM 0 HG21 VAL A 112 5.949 -4.384 -6.936 1.00 3.30 H new ATOM 0 HG22 VAL A 112 4.695 -4.062 -5.715 1.00 3.30 H new ATOM 0 HG23 VAL A 112 5.723 -2.735 -6.306 1.00 3.30 H new ATOM 1874 N TYR A 113 7.895 -4.061 -1.760 1.00 14.34 N ATOM 1875 CA TYR A 113 9.083 -3.999 -0.900 1.00 21.32 C ATOM 1876 C TYR A 113 9.867 -5.309 -0.927 1.00 11.42 C ATOM 1877 O TYR A 113 9.266 -6.385 -1.010 1.00 62.14 O ATOM 1878 CB TYR A 113 8.718 -3.560 0.520 1.00 60.51 C ATOM 1879 CG TYR A 113 7.972 -4.574 1.366 1.00 74.43 C ATOM 1880 CD1 TYR A 113 8.682 -5.518 2.135 1.00 52.21 C ATOM 1881 CD2 TYR A 113 6.567 -4.563 1.397 1.00 34.53 C ATOM 1882 CE1 TYR A 113 7.995 -6.447 2.935 1.00 34.45 C ATOM 1883 CE2 TYR A 113 5.874 -5.488 2.195 1.00 13.22 C ATOM 1884 CZ TYR A 113 6.583 -6.434 2.969 1.00 60.03 C ATOM 1885 OH TYR A 113 5.900 -7.332 3.728 1.00 4.35 O ATOM 0 H TYR A 113 7.253 -4.822 -1.539 1.00 14.34 H new ATOM 0 HA TYR A 113 9.748 -3.236 -1.304 1.00 21.32 H new ATOM 0 HB2 TYR A 113 9.636 -3.289 1.041 1.00 60.51 H new ATOM 0 HB3 TYR A 113 8.111 -2.657 0.454 1.00 60.51 H new ATOM 0 HD1 TYR A 113 9.762 -5.527 2.109 1.00 52.21 H new ATOM 0 HD2 TYR A 113 6.020 -3.843 0.807 1.00 34.53 H new ATOM 0 HE1 TYR A 113 8.545 -7.168 3.522 1.00 34.45 H new ATOM 0 HE2 TYR A 113 4.794 -5.476 2.217 1.00 13.22 H new ATOM 0 HH TYR A 113 6.430 -8.151 3.822 1.00 4.35 H new ATOM 1895 N ALA A 114 11.198 -5.202 -0.839 1.00 44.11 N ATOM 1896 CA ALA A 114 12.131 -6.325 -0.849 1.00 44.42 C ATOM 1897 C ALA A 114 13.470 -5.908 -0.232 1.00 15.11 C ATOM 1898 O ALA A 114 13.692 -4.730 0.050 1.00 55.12 O ATOM 1899 CB ALA A 114 12.390 -6.753 -2.297 1.00 44.11 C ATOM 0 H ALA A 114 11.666 -4.300 -0.756 1.00 44.11 H new ATOM 0 HA ALA A 114 11.697 -7.143 -0.274 1.00 44.42 H new ATOM 0 HB1 ALA A 114 13.086 -7.591 -2.310 1.00 44.11 H new ATOM 0 HB2 ALA A 114 11.451 -7.054 -2.761 1.00 44.11 H new ATOM 0 HB3 ALA A 114 12.817 -5.918 -2.852 1.00 44.11 H new ATOM 1905 N SER A 115 14.382 -6.858 -0.044 1.00 12.12 N ATOM 1906 CA SER A 115 15.702 -6.612 0.507 1.00 34.34 C ATOM 1907 C SER A 115 16.686 -6.676 -0.670 1.00 41.30 C ATOM 1908 O SER A 115 17.448 -7.636 -0.798 1.00 4.22 O ATOM 1909 CB SER A 115 15.944 -7.674 1.597 1.00 73.33 C ATOM 1910 OG SER A 115 17.190 -7.541 2.242 1.00 12.02 O ATOM 0 H SER A 115 14.216 -7.837 -0.276 1.00 12.12 H new ATOM 0 HA SER A 115 15.823 -5.638 0.982 1.00 34.34 H new ATOM 0 HB2 SER A 115 15.150 -7.608 2.340 1.00 73.33 H new ATOM 0 HB3 SER A 115 15.880 -8.665 1.148 1.00 73.33 H new ATOM 0 HG SER A 115 17.181 -6.742 2.809 1.00 12.02 H new ATOM 1916 N GLN A 116 16.711 -5.603 -1.468 1.00 3.01 N ATOM 1917 CA GLN A 116 17.536 -5.367 -2.650 1.00 45.42 C ATOM 1918 C GLN A 116 17.149 -3.979 -3.172 1.00 11.31 C ATOM 1919 O GLN A 116 15.958 -3.679 -3.236 1.00 42.42 O ATOM 1920 CB GLN A 116 17.251 -6.406 -3.760 1.00 72.12 C ATOM 1921 CG GLN A 116 18.382 -7.431 -3.943 1.00 54.12 C ATOM 1922 CD GLN A 116 18.021 -8.464 -5.010 1.00 72.53 C ATOM 1923 OE1 GLN A 116 17.553 -9.564 -4.713 1.00 14.01 O ATOM 1924 NE2 GLN A 116 18.191 -8.140 -6.279 1.00 65.54 N ATOM 0 H GLN A 116 16.098 -4.809 -1.283 1.00 3.01 H new ATOM 0 HA GLN A 116 18.591 -5.443 -2.388 1.00 45.42 H new ATOM 0 HB2 GLN A 116 16.327 -6.934 -3.524 1.00 72.12 H new ATOM 0 HB3 GLN A 116 17.088 -5.884 -4.703 1.00 72.12 H new ATOM 0 HG2 GLN A 116 19.301 -6.917 -4.226 1.00 54.12 H new ATOM 0 HG3 GLN A 116 18.577 -7.935 -2.996 1.00 54.12 H new ATOM 0 HE21 GLN A 116 18.578 -7.229 -6.525 1.00 65.54 H new ATOM 0 HE22 GLN A 116 17.935 -8.801 -7.013 1.00 65.54 H new ATOM 1933 N GLU A 117 18.124 -3.136 -3.520 1.00 30.32 N ATOM 1934 CA GLU A 117 17.862 -1.799 -4.061 1.00 12.13 C ATOM 1935 C GLU A 117 17.585 -1.905 -5.569 1.00 51.40 C ATOM 1936 O GLU A 117 16.809 -1.142 -6.149 1.00 54.43 O ATOM 1937 CB GLU A 117 19.117 -0.922 -3.868 1.00 21.35 C ATOM 1938 CG GLU A 117 18.872 0.550 -4.260 1.00 63.24 C ATOM 1939 CD GLU A 117 20.132 1.376 -4.543 1.00 61.44 C ATOM 1940 OE1 GLU A 117 21.238 0.822 -4.735 1.00 54.32 O ATOM 1941 OE2 GLU A 117 20.003 2.624 -4.621 1.00 25.23 O ATOM 0 H GLU A 117 19.116 -3.360 -3.435 1.00 30.32 H new ATOM 0 HA GLU A 117 17.005 -1.363 -3.547 1.00 12.13 H new ATOM 0 HB2 GLU A 117 19.434 -0.970 -2.826 1.00 21.35 H new ATOM 0 HB3 GLU A 117 19.933 -1.324 -4.468 1.00 21.35 H new ATOM 0 HG2 GLU A 117 18.238 0.571 -5.147 1.00 63.24 H new ATOM 0 HG3 GLU A 117 18.314 1.033 -3.458 1.00 63.24 H new ATOM 1948 N THR A 118 18.244 -2.864 -6.211 1.00 22.23 N ATOM 1949 CA THR A 118 18.190 -3.140 -7.628 1.00 5.11 C ATOM 1950 C THR A 118 17.912 -4.635 -7.800 1.00 25.35 C ATOM 1951 O THR A 118 18.672 -5.468 -7.288 1.00 61.34 O ATOM 1952 CB THR A 118 19.528 -2.655 -8.233 1.00 23.52 C ATOM 1953 OG1 THR A 118 20.633 -3.131 -7.473 1.00 12.33 O ATOM 1954 CG2 THR A 118 19.634 -1.124 -8.209 1.00 32.22 C ATOM 0 H THR A 118 18.866 -3.504 -5.718 1.00 22.23 H new ATOM 0 HA THR A 118 17.392 -2.617 -8.156 1.00 5.11 H new ATOM 0 HB THR A 118 19.549 -3.034 -9.255 1.00 23.52 H new ATOM 0 HG1 THR A 118 20.461 -4.052 -7.187 1.00 12.33 H new ATOM 0 HG21 THR A 118 20.587 -0.818 -8.642 1.00 32.22 H new ATOM 0 HG22 THR A 118 18.817 -0.694 -8.789 1.00 32.22 H new ATOM 0 HG23 THR A 118 19.573 -0.771 -7.179 1.00 32.22 H new ATOM 1962 N PHE A 119 16.789 -4.973 -8.434 1.00 44.21 N ATOM 1963 CA PHE A 119 16.370 -6.345 -8.688 1.00 5.32 C ATOM 1964 C PHE A 119 17.168 -6.950 -9.832 1.00 42.12 C ATOM 1965 O PHE A 119 17.090 -6.385 -10.945 1.00 33.35 O ATOM 1966 CB PHE A 119 14.881 -6.378 -9.040 1.00 51.01 C ATOM 1967 CG PHE A 119 13.942 -6.233 -7.867 1.00 43.20 C ATOM 1968 CD1 PHE A 119 14.109 -7.038 -6.724 1.00 10.41 C ATOM 1969 CD2 PHE A 119 12.851 -5.351 -7.953 1.00 70.33 C ATOM 1970 CE1 PHE A 119 13.173 -6.976 -5.683 1.00 64.32 C ATOM 1971 CE2 PHE A 119 11.896 -5.315 -6.926 1.00 31.25 C ATOM 1972 CZ PHE A 119 12.050 -6.141 -5.801 1.00 23.15 C ATOM 0 H PHE A 119 16.132 -4.281 -8.793 1.00 44.21 H new ATOM 0 HA PHE A 119 16.549 -6.929 -7.785 1.00 5.32 H new ATOM 0 HB2 PHE A 119 14.674 -5.579 -9.752 1.00 51.01 H new ATOM 0 HB3 PHE A 119 14.664 -7.319 -9.545 1.00 51.01 H new ATOM 0 HD1 PHE A 119 14.957 -7.702 -6.650 1.00 10.41 H new ATOM 0 HD2 PHE A 119 12.748 -4.701 -8.809 1.00 70.33 H new ATOM 0 HE1 PHE A 119 13.315 -7.569 -4.792 1.00 64.32 H new ATOM 0 HE2 PHE A 119 11.045 -4.654 -7.000 1.00 31.25 H new ATOM 0 HZ PHE A 119 11.301 -6.134 -5.023 1.00 23.15 H new TER 1982 PHE A 119 ATOM 1983 N ASN B 169 -20.793 -14.919 8.479 1.00 63.03 N ATOM 1984 CA ASN B 169 -19.868 -15.643 9.375 1.00 23.11 C ATOM 1985 C ASN B 169 -18.446 -15.478 8.856 1.00 74.32 C ATOM 1986 O ASN B 169 -17.891 -14.399 9.061 1.00 31.04 O ATOM 1987 CB ASN B 169 -20.276 -17.105 9.638 1.00 32.44 C ATOM 1988 CG ASN B 169 -21.586 -17.193 10.419 1.00 54.34 C ATOM 1989 OD1 ASN B 169 -22.358 -16.239 10.458 1.00 51.22 O ATOM 1990 ND2 ASN B 169 -21.867 -18.319 11.061 1.00 54.25 N ATOM 0 HA ASN B 169 -19.923 -15.195 10.367 1.00 23.11 H new ATOM 0 HB2 ASN B 169 -20.382 -17.630 8.689 1.00 32.44 H new ATOM 0 HB3 ASN B 169 -19.486 -17.609 10.194 1.00 32.44 H new ATOM 0 HD21 ASN B 169 -22.732 -18.399 11.595 1.00 54.25 H new ATOM 0 HD22 ASN B 169 -21.218 -19.105 11.021 1.00 54.25 H new HETATM 1997 N SEP B 170 -17.844 -16.478 8.188 1.00 74.34 N HETATM 1998 CA SEP B 170 -16.481 -16.367 7.653 1.00 52.52 C HETATM 1999 CB SEP B 170 -16.046 -17.706 7.044 1.00 51.24 C HETATM 2000 OG SEP B 170 -16.262 -18.715 8.025 1.00 63.44 O HETATM 2001 C SEP B 170 -16.409 -15.148 6.714 1.00 33.00 C HETATM 2002 O SEP B 170 -15.460 -14.365 6.788 1.00 55.31 O HETATM 2003 P SEP B 170 -15.865 -20.246 7.778 1.00 64.34 P HETATM 2004 O1P SEP B 170 -16.715 -20.650 6.643 1.00 53.22 O HETATM 2005 O2P SEP B 170 -14.417 -20.251 7.482 1.00 33.45 O HETATM 2006 O3P SEP B 170 -16.215 -20.915 9.050 1.00 34.31 O HETATM 0 HB3 SEP B 170 -16.619 -17.920 6.142 1.00 51.24 H new HETATM 0 HB2 SEP B 170 -14.996 -17.672 6.754 1.00 51.24 H new HETATM 0 HA SEP B 170 -15.750 -16.175 8.438 1.00 52.52 H new HETATM 0 H SEP B 170 -18.349 -17.361 8.118 1.00 74.34 H new HETATM 2011 N SEP B 171 -17.475 -14.903 5.941 1.00 35.01 N HETATM 2012 CA SEP B 171 -17.606 -13.747 5.071 1.00 0.54 C HETATM 2013 CB SEP B 171 -17.862 -14.093 3.597 1.00 51.15 C HETATM 2014 OG SEP B 171 -19.088 -14.767 3.342 1.00 42.22 O HETATM 2015 C SEP B 171 -18.702 -12.906 5.745 1.00 11.22 C HETATM 2016 O SEP B 171 -19.685 -13.453 6.267 1.00 15.22 O HETATM 2017 P SEP B 171 -19.722 -14.745 1.862 1.00 40.31 P HETATM 2018 O1P SEP B 171 -18.728 -15.474 1.056 1.00 55.14 O HETATM 2019 O2P SEP B 171 -21.022 -15.430 2.010 1.00 40.55 O HETATM 2020 O3P SEP B 171 -19.843 -13.307 1.550 1.00 43.11 O HETATM 0 HB3 SEP B 171 -17.843 -13.172 3.015 1.00 51.15 H new HETATM 0 HB2 SEP B 171 -17.042 -14.714 3.237 1.00 51.15 H new HETATM 0 HA SEP B 171 -16.675 -13.188 4.980 1.00 0.54 H new ATOM 2025 N GLY B 172 -18.413 -11.627 5.977 1.00 34.11 N ATOM 2026 CA GLY B 172 -19.311 -10.677 6.621 1.00 63.35 C ATOM 2027 C GLY B 172 -18.607 -9.333 6.781 1.00 14.54 C ATOM 2028 O GLY B 172 -17.484 -9.159 6.299 1.00 74.04 O ATOM 0 H GLY B 172 -17.519 -11.213 5.713 1.00 34.11 H new ATOM 0 HA2 GLY B 172 -20.216 -10.556 6.026 1.00 63.35 H new ATOM 0 HA3 GLY B 172 -19.619 -11.056 7.596 1.00 63.35 H new HETATM 2032 N SEP B 173 -19.233 -8.387 7.477 1.00 61.15 N HETATM 2033 CA SEP B 173 -18.727 -7.040 7.731 1.00 0.22 C HETATM 2034 CB SEP B 173 -19.943 -6.164 8.078 1.00 74.12 C HETATM 2035 OG SEP B 173 -20.976 -6.375 7.119 1.00 43.44 O HETATM 2036 C SEP B 173 -17.628 -7.030 8.813 1.00 72.34 C HETATM 2037 O SEP B 173 -17.821 -6.453 9.883 1.00 1.21 O HETATM 2038 P SEP B 173 -21.117 -5.455 5.816 1.00 74.35 P HETATM 2039 O1P SEP B 173 -22.141 -6.156 5.012 1.00 75.35 O HETATM 2040 O2P SEP B 173 -21.531 -4.151 6.360 1.00 22.34 O HETATM 2041 O3P SEP B 173 -19.770 -5.474 5.208 1.00 51.52 O HETATM 0 HB3 SEP B 173 -20.305 -6.407 9.077 1.00 74.12 H new HETATM 0 HB2 SEP B 173 -19.654 -5.113 8.091 1.00 74.12 H new HETATM 0 HA SEP B 173 -18.230 -6.635 6.849 1.00 0.22 H new HETATM 0 H SEP B 173 -20.232 -8.579 7.550 1.00 61.15 H new HETATM 2046 N SEP B 174 -16.493 -7.684 8.548 1.00 55.42 N HETATM 2047 CA SEP B 174 -15.328 -7.817 9.431 1.00 32.34 C HETATM 2048 CB SEP B 174 -15.334 -9.240 10.012 1.00 33.31 C HETATM 2049 OG SEP B 174 -16.231 -9.415 11.097 1.00 2.12 O HETATM 2050 C SEP B 174 -13.985 -7.629 8.708 1.00 53.11 C HETATM 2051 O SEP B 174 -12.934 -7.718 9.343 1.00 24.01 O HETATM 2052 P SEP B 174 -15.710 -9.334 12.611 1.00 43.44 P HETATM 2053 O1P SEP B 174 -15.534 -7.888 12.817 1.00 53.52 O HETATM 2054 O2P SEP B 174 -16.850 -9.920 13.339 1.00 0.44 O HETATM 2055 O3P SEP B 174 -14.482 -10.150 12.626 1.00 4.31 O HETATM 0 HB3 SEP B 174 -15.594 -9.943 9.221 1.00 33.31 H new HETATM 0 HB2 SEP B 174 -14.326 -9.491 10.343 1.00 33.31 H new HETATM 0 HA SEP B 174 -15.411 -7.038 10.189 1.00 32.34 H new ATOM 2060 N GLU B 175 -13.973 -7.559 7.377 1.00 73.13 N ATOM 2061 CA GLU B 175 -12.752 -7.404 6.608 1.00 72.35 C ATOM 2062 C GLU B 175 -12.589 -5.942 6.237 1.00 42.11 C ATOM 2063 O GLU B 175 -13.316 -5.443 5.372 1.00 2.53 O ATOM 2064 CB GLU B 175 -12.780 -8.309 5.365 1.00 60.23 C ATOM 2065 CG GLU B 175 -12.485 -9.780 5.684 1.00 41.13 C ATOM 2066 CD GLU B 175 -11.008 -10.004 6.020 1.00 75.25 C ATOM 2067 OE1 GLU B 175 -10.619 -9.793 7.188 1.00 2.40 O ATOM 2068 OE2 GLU B 175 -10.234 -10.372 5.104 1.00 20.00 O ATOM 0 H GLU B 175 -14.816 -7.609 6.806 1.00 73.13 H new ATOM 0 HA GLU B 175 -11.893 -7.710 7.205 1.00 72.35 H new ATOM 0 HB2 GLU B 175 -13.759 -8.236 4.892 1.00 60.23 H new ATOM 0 HB3 GLU B 175 -12.049 -7.946 4.643 1.00 60.23 H new ATOM 0 HG2 GLU B 175 -13.101 -10.100 6.524 1.00 41.13 H new ATOM 0 HG3 GLU B 175 -12.762 -10.399 4.831 1.00 41.13 H new ATOM 2075 N ASP B 176 -11.691 -5.241 6.939 1.00 13.13 N ATOM 2076 CA ASP B 176 -11.404 -3.837 6.649 1.00 12.10 C ATOM 2077 C ASP B 176 -10.893 -3.841 5.205 1.00 33.00 C ATOM 2078 O ASP B 176 -10.108 -4.730 4.853 1.00 63.21 O ATOM 2079 CB ASP B 176 -10.288 -3.270 7.549 1.00 43.34 C ATOM 2080 CG ASP B 176 -10.674 -2.928 8.988 1.00 1.44 C ATOM 2081 OD1 ASP B 176 -11.682 -2.218 9.221 1.00 73.13 O ATOM 2082 OD2 ASP B 176 -9.890 -3.293 9.899 1.00 71.02 O ATOM 0 H ASP B 176 -11.151 -5.627 7.713 1.00 13.13 H new ATOM 0 HA ASP B 176 -12.290 -3.224 6.814 1.00 12.10 H new ATOM 0 HB2 ASP B 176 -9.474 -3.994 7.578 1.00 43.34 H new ATOM 0 HB3 ASP B 176 -9.896 -2.368 7.078 1.00 43.34 H new HETATM 2087 N SEP B 177 -11.085 -2.765 4.444 1.00 64.41 N HETATM 2088 CA SEP B 177 -10.653 -2.757 3.050 1.00 53.52 C HETATM 2089 CB SEP B 177 -11.764 -2.133 2.193 1.00 44.34 C HETATM 2090 OG SEP B 177 -12.823 -3.053 2.010 1.00 52.15 O HETATM 2091 C SEP B 177 -9.366 -1.968 2.881 1.00 14.52 C HETATM 2092 O SEP B 177 -8.508 -2.414 2.116 1.00 35.20 O HETATM 2093 P SEP B 177 -12.903 -3.978 0.717 1.00 32.33 P HETATM 2094 O1P SEP B 177 -13.506 -3.095 -0.299 1.00 70.34 O HETATM 2095 O2P SEP B 177 -11.506 -4.365 0.431 1.00 33.41 O HETATM 2096 O3P SEP B 177 -13.779 -5.085 1.133 1.00 23.14 O HETATM 0 HB3 SEP B 177 -12.138 -1.229 2.674 1.00 44.34 H new HETATM 0 HB2 SEP B 177 -11.361 -1.836 1.225 1.00 44.34 H new HETATM 0 HA SEP B 177 -10.461 -3.782 2.732 1.00 53.52 H new HETATM 0 H SEP B 177 -11.999 -2.390 4.697 1.00 64.41 H new ATOM 2101 N PHE B 178 -9.100 -0.971 3.719 1.00 52.14 N ATOM 2102 CA PHE B 178 -7.889 -0.168 3.665 1.00 30.42 C ATOM 2103 C PHE B 178 -7.371 -0.017 5.087 1.00 54.14 C ATOM 2104 O PHE B 178 -8.131 -0.188 6.038 1.00 62.12 O ATOM 2105 CB PHE B 178 -8.181 1.211 3.058 1.00 10.11 C ATOM 2106 CG PHE B 178 -8.491 1.227 1.575 1.00 74.01 C ATOM 2107 CD1 PHE B 178 -9.710 0.717 1.089 1.00 5.50 C ATOM 2108 CD2 PHE B 178 -7.576 1.794 0.671 1.00 70.02 C ATOM 2109 CE1 PHE B 178 -9.968 0.690 -0.290 1.00 72.44 C ATOM 2110 CE2 PHE B 178 -7.859 1.814 -0.702 1.00 12.43 C ATOM 2111 CZ PHE B 178 -9.038 1.231 -1.188 1.00 61.05 C ATOM 0 H PHE B 178 -9.735 -0.695 4.469 1.00 52.14 H new ATOM 0 HA PHE B 178 -7.144 -0.654 3.036 1.00 30.42 H new ATOM 0 HB2 PHE B 178 -9.024 1.650 3.591 1.00 10.11 H new ATOM 0 HB3 PHE B 178 -7.320 1.855 3.237 1.00 10.11 H new ATOM 0 HD1 PHE B 178 -10.451 0.345 1.781 1.00 5.50 H new ATOM 0 HD2 PHE B 178 -6.651 2.216 1.036 1.00 70.02 H new ATOM 0 HE1 PHE B 178 -10.884 0.252 -0.659 1.00 72.44 H new ATOM 0 HE2 PHE B 178 -7.167 2.280 -1.388 1.00 12.43 H new ATOM 0 HZ PHE B 178 -9.229 1.199 -2.251 1.00 61.05 H new ATOM 2121 N VAL B 179 -6.089 0.311 5.238 1.00 14.24 N ATOM 2122 CA VAL B 179 -5.487 0.498 6.545 1.00 54.43 C ATOM 2123 C VAL B 179 -4.724 1.829 6.572 1.00 75.12 C ATOM 2124 O VAL B 179 -3.771 2.063 5.828 1.00 1.51 O ATOM 2125 CB VAL B 179 -4.754 -0.783 6.986 1.00 40.22 C ATOM 2126 CG1 VAL B 179 -3.462 -1.086 6.233 1.00 20.20 C ATOM 2127 CG2 VAL B 179 -4.457 -0.729 8.478 1.00 54.23 C ATOM 0 H VAL B 179 -5.446 0.453 4.459 1.00 14.24 H new ATOM 0 HA VAL B 179 -6.227 0.621 7.336 1.00 54.43 H new ATOM 0 HB VAL B 179 -5.441 -1.594 6.743 1.00 40.22 H new ATOM 0 HG11 VAL B 179 -3.024 -2.007 6.618 1.00 20.20 H new ATOM 0 HG12 VAL B 179 -3.679 -1.204 5.171 1.00 20.20 H new ATOM 0 HG13 VAL B 179 -2.759 -0.264 6.371 1.00 20.20 H new ATOM 0 HG21 VAL B 179 -3.939 -1.639 8.779 1.00 54.23 H new ATOM 0 HG22 VAL B 179 -3.828 0.135 8.693 1.00 54.23 H new ATOM 0 HG23 VAL B 179 -5.392 -0.643 9.032 1.00 54.23 H new ATOM 2137 N GLU B 180 -5.201 2.767 7.379 1.00 41.53 N ATOM 2138 CA GLU B 180 -4.598 4.083 7.531 1.00 70.02 C ATOM 2139 C GLU B 180 -3.222 4.018 8.197 1.00 1.41 C ATOM 2140 O GLU B 180 -2.940 3.111 8.990 1.00 20.33 O ATOM 2141 CB GLU B 180 -5.572 4.995 8.289 1.00 1.32 C ATOM 2142 CG GLU B 180 -5.634 4.661 9.784 1.00 23.12 C ATOM 2143 CD GLU B 180 -6.592 5.560 10.558 1.00 4.42 C ATOM 2144 OE1 GLU B 180 -7.827 5.400 10.411 1.00 3.12 O ATOM 2145 OE2 GLU B 180 -6.106 6.400 11.357 1.00 50.33 O ATOM 0 H GLU B 180 -6.031 2.632 7.956 1.00 41.53 H new ATOM 0 HA GLU B 180 -4.419 4.505 6.542 1.00 70.02 H new ATOM 0 HB2 GLU B 180 -5.267 6.034 8.163 1.00 1.32 H new ATOM 0 HB3 GLU B 180 -6.568 4.900 7.856 1.00 1.32 H new ATOM 0 HG2 GLU B 180 -5.941 3.622 9.906 1.00 23.12 H new ATOM 0 HG3 GLU B 180 -4.636 4.750 10.212 1.00 23.12 H new ATOM 2152 N ILE B 181 -2.381 5.024 7.940 1.00 74.12 N ATOM 2153 CA ILE B 181 -1.061 5.066 8.553 1.00 50.15 C ATOM 2154 C ILE B 181 -1.230 5.513 10.012 1.00 22.33 C ATOM 2155 O ILE B 181 -2.034 6.396 10.324 1.00 63.01 O ATOM 2156 CB ILE B 181 -0.166 6.075 7.773 1.00 21.22 C ATOM 2157 CG1 ILE B 181 0.822 5.294 6.884 1.00 50.45 C ATOM 2158 CG2 ILE B 181 0.558 7.122 8.655 1.00 22.10 C ATOM 2159 CD1 ILE B 181 1.859 6.226 6.261 1.00 53.12 C ATOM 0 H ILE B 181 -2.591 5.807 7.321 1.00 74.12 H new ATOM 0 HA ILE B 181 -0.585 4.086 8.522 1.00 50.15 H new ATOM 0 HB ILE B 181 -0.835 6.674 7.155 1.00 21.22 H new ATOM 0 HG12 ILE B 181 1.325 4.531 7.478 1.00 50.45 H new ATOM 0 HG13 ILE B 181 0.275 4.776 6.096 1.00 50.45 H new ATOM 0 HG21 ILE B 181 1.156 7.779 8.023 1.00 22.10 H new ATOM 0 HG22 ILE B 181 -0.180 7.713 9.198 1.00 22.10 H new ATOM 0 HG23 ILE B 181 1.208 6.612 9.366 1.00 22.10 H new ATOM 0 HD11 ILE B 181 2.542 5.647 5.640 1.00 53.12 H new ATOM 0 HD12 ILE B 181 1.355 6.973 5.648 1.00 53.12 H new ATOM 0 HD13 ILE B 181 2.421 6.724 7.051 1.00 53.12 H new ATOM 2171 N ARG B 182 -0.455 4.912 10.919 1.00 13.51 N ATOM 2172 CA ARG B 182 -0.458 5.269 12.336 1.00 12.13 C ATOM 2173 C ARG B 182 0.583 6.372 12.449 1.00 4.31 C ATOM 2174 O ARG B 182 1.754 6.126 12.756 1.00 51.45 O ATOM 2175 CB ARG B 182 -0.135 4.067 13.224 1.00 4.20 C ATOM 2176 CG ARG B 182 -1.351 3.318 13.790 1.00 2.32 C ATOM 2177 CD ARG B 182 -2.461 2.981 12.785 1.00 75.05 C ATOM 2178 NE ARG B 182 -3.618 3.892 12.903 1.00 0.34 N ATOM 2179 CZ ARG B 182 -4.865 3.564 13.268 1.00 34.34 C ATOM 2180 NH1 ARG B 182 -5.201 2.306 13.536 1.00 11.20 N ATOM 2181 NH2 ARG B 182 -5.794 4.503 13.344 1.00 40.33 N ATOM 0 H ARG B 182 0.195 4.161 10.687 1.00 13.51 H new ATOM 0 HA ARG B 182 -1.437 5.602 12.679 1.00 12.13 H new ATOM 0 HB2 ARG B 182 0.468 3.364 12.649 1.00 4.20 H new ATOM 0 HB3 ARG B 182 0.480 4.407 14.057 1.00 4.20 H new ATOM 0 HG2 ARG B 182 -1.003 2.389 14.242 1.00 2.32 H new ATOM 0 HG3 ARG B 182 -1.783 3.919 14.590 1.00 2.32 H new ATOM 0 HD2 ARG B 182 -2.060 3.035 11.773 1.00 75.05 H new ATOM 0 HD3 ARG B 182 -2.792 1.954 12.943 1.00 75.05 H new ATOM 0 HE ARG B 182 -3.450 4.874 12.684 1.00 0.34 H new ATOM 0 HH11 ARG B 182 -4.503 1.566 13.466 1.00 11.20 H new ATOM 0 HH12 ARG B 182 -6.157 2.081 13.812 1.00 11.20 H new ATOM 0 HH21 ARG B 182 -5.560 5.471 13.125 1.00 40.33 H new ATOM 0 HH22 ARG B 182 -6.745 4.259 13.621 1.00 40.33 H new ATOM 2195 N MET B 183 0.149 7.561 12.059 1.00 72.03 N ATOM 2196 CA MET B 183 0.918 8.802 12.056 1.00 31.31 C ATOM 2197 C MET B 183 1.228 9.233 13.495 1.00 34.10 C ATOM 2198 O MET B 183 1.022 8.468 14.445 1.00 40.45 O ATOM 2199 CB MET B 183 0.162 9.904 11.281 1.00 64.34 C ATOM 2200 CG MET B 183 -1.199 10.257 11.889 1.00 13.44 C ATOM 2201 SD MET B 183 -1.868 11.823 11.272 1.00 64.24 S ATOM 2202 CE MET B 183 -3.529 11.758 11.995 1.00 63.13 C ATOM 0 H MET B 183 -0.802 7.696 11.716 1.00 72.03 H new ATOM 0 HA MET B 183 1.866 8.634 11.545 1.00 31.31 H new ATOM 0 HB2 MET B 183 0.779 10.802 11.247 1.00 64.34 H new ATOM 0 HB3 MET B 183 0.017 9.578 10.251 1.00 64.34 H new ATOM 0 HG2 MET B 183 -1.906 9.456 11.672 1.00 13.44 H new ATOM 0 HG3 MET B 183 -1.103 10.312 12.973 1.00 13.44 H new ATOM 0 HE1 MET B 183 -4.084 12.653 11.713 1.00 63.13 H new ATOM 0 HE2 MET B 183 -4.052 10.876 11.626 1.00 63.13 H new ATOM 0 HE3 MET B 183 -3.451 11.706 13.081 1.00 63.13 H new ATOM 2212 N ALA B 184 1.777 10.434 13.639 1.00 50.51 N ATOM 2213 CA ALA B 184 2.121 11.043 14.906 1.00 74.15 C ATOM 2214 C ALA B 184 1.140 12.195 15.169 1.00 51.11 C ATOM 2215 O ALA B 184 0.214 12.466 14.394 1.00 61.02 O ATOM 2216 CB ALA B 184 3.580 11.523 14.850 1.00 64.15 C ATOM 0 H ALA B 184 2.001 11.028 12.841 1.00 50.51 H new ATOM 0 HA ALA B 184 2.040 10.331 15.728 1.00 74.15 H new ATOM 0 HB1 ALA B 184 3.848 11.984 15.801 1.00 64.15 H new ATOM 0 HB2 ALA B 184 4.236 10.673 14.661 1.00 64.15 H new ATOM 0 HB3 ALA B 184 3.692 12.253 14.049 1.00 64.15 H new ATOM 2222 N GLU B 185 1.328 12.855 16.300 1.00 54.21 N ATOM 2223 CA GLU B 185 0.570 13.997 16.768 1.00 51.33 C ATOM 2224 C GLU B 185 1.529 14.787 17.641 1.00 43.25 C ATOM 2225 O GLU B 185 1.329 16.009 17.775 1.00 2.23 O ATOM 2226 CB GLU B 185 -0.725 13.575 17.490 1.00 61.02 C ATOM 2227 CG GLU B 185 -0.574 12.993 18.906 1.00 50.11 C ATOM 2228 CD GLU B 185 0.191 11.665 19.005 1.00 0.10 C ATOM 2229 OE1 GLU B 185 -0.148 10.680 18.306 1.00 60.25 O ATOM 2230 OE2 GLU B 185 1.095 11.532 19.866 1.00 12.32 O ATOM 0 H GLU B 185 2.062 12.588 16.956 1.00 54.21 H new ATOM 0 HA GLU B 185 0.211 14.616 15.946 1.00 51.33 H new ATOM 0 HB2 GLU B 185 -1.380 14.445 17.549 1.00 61.02 H new ATOM 0 HB3 GLU B 185 -1.233 12.835 16.871 1.00 61.02 H new ATOM 0 HG2 GLU B 185 -0.067 13.730 19.529 1.00 50.11 H new ATOM 0 HG3 GLU B 185 -1.569 12.850 19.327 1.00 50.11 H new TER 2237 GLU B 185