USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1160 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 145 SER OG : rot 122:sc= 0.722 USER MOD Set 1.2: A 148 THR OG1 : rot 150:sc= 0.955 USER MOD Set 2.1: A 94 HIS : no HD1:sc= 0.84 K(o=0.54,f=-3.8) USER MOD Set 2.2: A 137 TYR OH : rot 37:sc= -0.297 USER MOD Set 3.1: A 87 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 124 THR OG1 : rot -41:sc= 0.662 USER MOD Set 4.1: A 1 MET CE :methyl -179:sc= -1.38 (180deg=-1.23!) USER MOD Set 4.2: A 43 GLN :FLIP amide:sc= -0.517 F(o=-4.1,f=-1.9) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= -0.462 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0921 USER MOD Single : A 20 THR OG1 : rot 169:sc= 1.15 USER MOD Single : A 22 GLN : amide:sc= -0.292 K(o=-0.29,f=-2.5) USER MOD Single : A 25 GLN : amide:sc= -0.0215 K(o=-0.021,f=-1.2) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 6:sc= -0.52 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0635 X(o=-0.063,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -175:sc= -0.0278 (180deg=-0.0893) USER MOD Single : A 74 THR OG1 : rot 10:sc= -0.444 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -4.16! C(o=-4.2!,f=-8.7!) USER MOD Single : A 86 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.27) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -33:sc= 0.788 USER MOD Single : A 95 GLN : amide:sc= 0.316 K(o=0.32,f=-0.67) USER MOD Single : A 96 TYR OH : rot 30:sc= 0.648 USER MOD Single : A 99 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.11) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -125:sc= 0.654 (180deg=-2.66!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -158:sc= -1.96 (180deg=-4.74!) USER MOD Single : A 116 ASN : amide:sc= 0.236 K(o=0.24,f=-11!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot -47:sc= -0.863 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc=0.000958 X(o=0.00096,f=0) USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 165 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 166 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.480 -4.766 23.424 1.00 62.22 N ATOM 2 CA MET A 1 0.429 -4.082 22.104 1.00 43.21 C ATOM 3 C MET A 1 -0.265 -4.944 21.060 1.00 45.43 C ATOM 4 O MET A 1 -0.251 -6.173 21.138 1.00 31.22 O ATOM 5 CB MET A 1 1.858 -3.762 21.660 1.00 34.41 C ATOM 6 CG MET A 1 1.992 -2.409 20.984 1.00 65.41 C ATOM 7 SD MET A 1 3.702 -1.999 20.583 1.00 75.41 S ATOM 8 CE MET A 1 4.471 -2.147 22.193 1.00 72.25 C ATOM 0 H1 MET A 1 0.959 -4.153 24.114 1.00 62.22 H new ATOM 0 H2 MET A 1 -0.488 -4.964 23.750 1.00 62.22 H new ATOM 0 H3 MET A 1 1.004 -5.659 23.332 1.00 62.22 H new ATOM 0 HA MET A 1 -0.147 -3.162 22.204 1.00 43.21 H new ATOM 0 HB2 MET A 1 2.516 -3.792 22.529 1.00 34.41 H new ATOM 0 HB3 MET A 1 2.200 -4.538 20.974 1.00 34.41 H new ATOM 0 HG2 MET A 1 1.397 -2.403 20.071 1.00 65.41 H new ATOM 0 HG3 MET A 1 1.581 -1.639 21.637 1.00 65.41 H new ATOM 0 HE1 MET A 1 5.531 -1.906 22.114 1.00 72.25 H new ATOM 0 HE2 MET A 1 3.993 -1.458 22.889 1.00 72.25 H new ATOM 0 HE3 MET A 1 4.358 -3.168 22.558 1.00 72.25 H new ATOM 18 N THR A 2 -0.871 -4.285 20.083 1.00 61.43 N ATOM 19 CA THR A 2 -1.577 -4.972 19.013 1.00 14.30 C ATOM 20 C THR A 2 -0.720 -5.019 17.749 1.00 53.53 C ATOM 21 O THR A 2 0.075 -4.115 17.492 1.00 41.51 O ATOM 22 CB THR A 2 -2.915 -4.271 18.747 1.00 62.41 C ATOM 23 OG1 THR A 2 -3.976 -4.966 19.376 1.00 74.35 O ATOM 24 CG2 THR A 2 -3.263 -4.144 17.281 1.00 24.25 C ATOM 0 H THR A 2 -0.887 -3.268 20.010 1.00 61.43 H new ATOM 0 HA THR A 2 -1.776 -6.000 19.316 1.00 14.30 H new ATOM 0 HB THR A 2 -2.791 -3.268 19.155 1.00 62.41 H new ATOM 0 HG1 THR A 2 -4.821 -4.504 19.197 1.00 74.35 H new ATOM 0 HG21 THR A 2 -4.223 -3.638 17.177 1.00 24.25 H new ATOM 0 HG22 THR A 2 -2.491 -3.566 16.773 1.00 24.25 H new ATOM 0 HG23 THR A 2 -3.326 -5.136 16.835 1.00 24.25 H new ATOM 32 N GLU A 3 -0.886 -6.080 16.966 1.00 23.44 N ATOM 33 CA GLU A 3 -0.127 -6.243 15.731 1.00 41.01 C ATOM 34 C GLU A 3 -1.026 -6.067 14.512 1.00 60.11 C ATOM 35 O GLU A 3 -1.978 -6.822 14.314 1.00 61.21 O ATOM 36 CB GLU A 3 0.544 -7.618 15.698 1.00 23.21 C ATOM 37 CG GLU A 3 2.062 -7.554 15.730 1.00 31.03 C ATOM 38 CD GLU A 3 2.709 -8.884 15.398 1.00 13.20 C ATOM 39 OE1 GLU A 3 2.255 -9.915 15.938 1.00 33.41 O ATOM 40 OE2 GLU A 3 3.669 -8.895 14.600 1.00 52.43 O ATOM 0 H GLU A 3 -1.538 -6.839 17.164 1.00 23.44 H new ATOM 0 HA GLU A 3 0.644 -5.473 15.702 1.00 41.01 H new ATOM 0 HB2 GLU A 3 0.195 -8.204 16.548 1.00 23.21 H new ATOM 0 HB3 GLU A 3 0.230 -8.145 14.797 1.00 23.21 H new ATOM 0 HG2 GLU A 3 2.405 -6.800 15.021 1.00 31.03 H new ATOM 0 HG3 GLU A 3 2.388 -7.233 16.719 1.00 31.03 H new ATOM 47 N TYR A 4 -0.716 -5.063 13.699 1.00 43.40 N ATOM 48 CA TYR A 4 -1.493 -4.784 12.498 1.00 2.14 C ATOM 49 C TYR A 4 -0.714 -5.165 11.245 1.00 54.15 C ATOM 50 O TYR A 4 0.402 -4.692 11.027 1.00 63.43 O ATOM 51 CB TYR A 4 -1.870 -3.303 12.444 1.00 31.23 C ATOM 52 CG TYR A 4 -2.946 -2.916 13.432 1.00 22.35 C ATOM 53 CD1 TYR A 4 -4.185 -3.544 13.421 1.00 24.00 C ATOM 54 CD2 TYR A 4 -2.723 -1.920 14.374 1.00 14.35 C ATOM 55 CE1 TYR A 4 -5.172 -3.191 14.321 1.00 60.41 C ATOM 56 CE2 TYR A 4 -3.706 -1.561 15.277 1.00 43.33 C ATOM 57 CZ TYR A 4 -4.928 -2.198 15.246 1.00 4.32 C ATOM 58 OH TYR A 4 -5.908 -1.842 16.144 1.00 51.21 O ATOM 0 H TYR A 4 0.068 -4.429 13.850 1.00 43.40 H new ATOM 0 HA TYR A 4 -2.402 -5.384 12.536 1.00 2.14 H new ATOM 0 HB2 TYR A 4 -0.980 -2.703 12.635 1.00 31.23 H new ATOM 0 HB3 TYR A 4 -2.209 -3.059 11.437 1.00 31.23 H new ATOM 0 HD1 TYR A 4 -4.380 -4.321 12.697 1.00 24.00 H new ATOM 0 HD2 TYR A 4 -1.767 -1.418 14.401 1.00 14.35 H new ATOM 0 HE1 TYR A 4 -6.130 -3.690 14.300 1.00 60.41 H new ATOM 0 HE2 TYR A 4 -3.517 -0.785 16.004 1.00 43.33 H new ATOM 0 HH TYR A 4 -5.574 -1.128 16.727 1.00 51.21 H new ATOM 68 N LYS A 5 -1.309 -6.022 10.423 1.00 62.01 N ATOM 69 CA LYS A 5 -0.671 -6.464 9.190 1.00 24.53 C ATOM 70 C LYS A 5 -1.243 -5.720 7.988 1.00 0.01 C ATOM 71 O LYS A 5 -2.440 -5.798 7.709 1.00 72.24 O ATOM 72 CB LYS A 5 -0.854 -7.973 9.012 1.00 22.52 C ATOM 73 CG LYS A 5 0.427 -8.768 9.204 1.00 52.43 C ATOM 74 CD LYS A 5 0.924 -9.356 7.893 1.00 45.45 C ATOM 75 CE LYS A 5 1.302 -10.821 8.048 1.00 4.31 C ATOM 76 NZ LYS A 5 2.542 -10.991 8.853 1.00 41.12 N ATOM 0 H LYS A 5 -2.232 -6.424 10.589 1.00 62.01 H new ATOM 0 HA LYS A 5 0.394 -6.242 9.256 1.00 24.53 H new ATOM 0 HB2 LYS A 5 -1.601 -8.326 9.723 1.00 22.52 H new ATOM 0 HB3 LYS A 5 -1.246 -8.168 8.014 1.00 22.52 H new ATOM 0 HG2 LYS A 5 1.196 -8.123 9.628 1.00 52.43 H new ATOM 0 HG3 LYS A 5 0.253 -9.571 9.921 1.00 52.43 H new ATOM 0 HD2 LYS A 5 0.150 -9.257 7.132 1.00 45.45 H new ATOM 0 HD3 LYS A 5 1.788 -8.791 7.544 1.00 45.45 H new ATOM 0 HE2 LYS A 5 0.483 -11.359 8.525 1.00 4.31 H new ATOM 0 HE3 LYS A 5 1.445 -11.266 7.063 1.00 4.31 H new ATOM 0 HZ1 LYS A 5 2.766 -12.003 8.936 1.00 41.12 H new ATOM 0 HZ2 LYS A 5 3.330 -10.499 8.385 1.00 41.12 H new ATOM 0 HZ3 LYS A 5 2.398 -10.590 9.802 1.00 41.12 H new ATOM 90 N LEU A 6 -0.381 -4.997 7.281 1.00 65.13 N ATOM 91 CA LEU A 6 -0.802 -4.236 6.110 1.00 0.24 C ATOM 92 C LEU A 6 -0.180 -4.799 4.837 1.00 31.32 C ATOM 93 O LEU A 6 1.042 -4.825 4.690 1.00 13.30 O ATOM 94 CB LEU A 6 -0.416 -2.765 6.270 1.00 0.14 C ATOM 95 CG LEU A 6 -0.633 -2.186 7.669 1.00 2.34 C ATOM 96 CD1 LEU A 6 -0.327 -0.696 7.682 1.00 24.50 C ATOM 97 CD2 LEU A 6 -2.058 -2.446 8.138 1.00 61.35 C ATOM 0 H LEU A 6 0.613 -4.922 7.498 1.00 65.13 H new ATOM 0 HA LEU A 6 -1.886 -4.317 6.027 1.00 0.24 H new ATOM 0 HB2 LEU A 6 0.635 -2.650 6.005 1.00 0.14 H new ATOM 0 HB3 LEU A 6 -0.991 -2.175 5.556 1.00 0.14 H new ATOM 0 HG LEU A 6 0.050 -2.682 8.358 1.00 2.34 H new ATOM 0 HD11 LEU A 6 -0.487 -0.301 8.685 1.00 24.50 H new ATOM 0 HD12 LEU A 6 0.711 -0.535 7.389 1.00 24.50 H new ATOM 0 HD13 LEU A 6 -0.985 -0.183 6.981 1.00 24.50 H new ATOM 0 HD21 LEU A 6 -2.195 -2.027 9.135 1.00 61.35 H new ATOM 0 HD22 LEU A 6 -2.759 -1.977 7.448 1.00 61.35 H new ATOM 0 HD23 LEU A 6 -2.241 -3.520 8.167 1.00 61.35 H new ATOM 109 N VAL A 7 -1.029 -5.246 3.916 1.00 65.20 N ATOM 110 CA VAL A 7 -0.565 -5.804 2.656 1.00 11.50 C ATOM 111 C VAL A 7 -0.371 -4.710 1.611 1.00 34.21 C ATOM 112 O VAL A 7 -1.336 -4.223 1.020 1.00 11.02 O ATOM 113 CB VAL A 7 -1.554 -6.850 2.114 1.00 33.04 C ATOM 114 CG1 VAL A 7 -1.003 -7.507 0.861 1.00 61.24 C ATOM 115 CG2 VAL A 7 -1.865 -7.892 3.177 1.00 73.55 C ATOM 0 H VAL A 7 -2.043 -5.231 4.022 1.00 65.20 H new ATOM 0 HA VAL A 7 0.392 -6.287 2.852 1.00 11.50 H new ATOM 0 HB VAL A 7 -2.482 -6.343 1.852 1.00 33.04 H new ATOM 0 HG11 VAL A 7 -1.717 -8.244 0.493 1.00 61.24 H new ATOM 0 HG12 VAL A 7 -0.837 -6.749 0.096 1.00 61.24 H new ATOM 0 HG13 VAL A 7 -0.060 -8.001 1.094 1.00 61.24 H new ATOM 0 HG21 VAL A 7 -2.566 -8.623 2.775 1.00 73.55 H new ATOM 0 HG22 VAL A 7 -0.945 -8.396 3.473 1.00 73.55 H new ATOM 0 HG23 VAL A 7 -2.307 -7.405 4.046 1.00 73.55 H new ATOM 125 N VAL A 8 0.881 -4.326 1.388 1.00 11.44 N ATOM 126 CA VAL A 8 1.201 -3.290 0.417 1.00 12.23 C ATOM 127 C VAL A 8 1.188 -3.842 -1.004 1.00 72.51 C ATOM 128 O VAL A 8 1.884 -4.810 -1.312 1.00 30.43 O ATOM 129 CB VAL A 8 2.579 -2.668 0.703 1.00 23.23 C ATOM 130 CG1 VAL A 8 2.818 -1.465 -0.194 1.00 1.21 C ATOM 131 CG2 VAL A 8 2.697 -2.282 2.169 1.00 0.12 C ATOM 0 H VAL A 8 1.691 -4.718 1.868 1.00 11.44 H new ATOM 0 HA VAL A 8 0.434 -2.521 0.508 1.00 12.23 H new ATOM 0 HB VAL A 8 3.345 -3.412 0.485 1.00 23.23 H new ATOM 0 HG11 VAL A 8 3.797 -1.038 0.023 1.00 1.21 H new ATOM 0 HG12 VAL A 8 2.781 -1.776 -1.238 1.00 1.21 H new ATOM 0 HG13 VAL A 8 2.048 -0.716 -0.011 1.00 1.21 H new ATOM 0 HG21 VAL A 8 3.678 -1.844 2.352 1.00 0.12 H new ATOM 0 HG22 VAL A 8 1.923 -1.556 2.417 1.00 0.12 H new ATOM 0 HG23 VAL A 8 2.574 -3.169 2.790 1.00 0.12 H new ATOM 141 N VAL A 9 0.394 -3.217 -1.868 1.00 21.32 N ATOM 142 CA VAL A 9 0.291 -3.643 -3.258 1.00 43.15 C ATOM 143 C VAL A 9 0.332 -2.445 -4.203 1.00 64.23 C ATOM 144 O VAL A 9 -0.107 -1.350 -3.852 1.00 60.32 O ATOM 145 CB VAL A 9 -1.004 -4.442 -3.508 1.00 71.13 C ATOM 146 CG1 VAL A 9 -1.060 -5.665 -2.606 1.00 52.25 C ATOM 147 CG2 VAL A 9 -2.228 -3.562 -3.297 1.00 54.55 C ATOM 0 H VAL A 9 -0.187 -2.414 -1.629 1.00 21.32 H new ATOM 0 HA VAL A 9 1.147 -4.288 -3.457 1.00 43.15 H new ATOM 0 HB VAL A 9 -1.003 -4.780 -4.544 1.00 71.13 H new ATOM 0 HG11 VAL A 9 -1.981 -6.216 -2.797 1.00 52.25 H new ATOM 0 HG12 VAL A 9 -0.204 -6.308 -2.811 1.00 52.25 H new ATOM 0 HG13 VAL A 9 -1.036 -5.349 -1.563 1.00 52.25 H new ATOM 0 HG21 VAL A 9 -3.131 -4.145 -3.478 1.00 54.55 H new ATOM 0 HG22 VAL A 9 -2.236 -3.190 -2.273 1.00 54.55 H new ATOM 0 HG23 VAL A 9 -2.195 -2.720 -3.989 1.00 54.55 H new ATOM 157 N GLY A 10 0.861 -2.660 -5.402 1.00 72.02 N ATOM 158 CA GLY A 10 0.948 -1.588 -6.376 1.00 41.31 C ATOM 159 C GLY A 10 2.004 -1.845 -7.434 1.00 51.33 C ATOM 160 O GLY A 10 2.976 -1.098 -7.545 1.00 23.21 O ATOM 0 H GLY A 10 1.231 -3.557 -5.717 1.00 72.02 H new ATOM 0 HA2 GLY A 10 -0.021 -1.461 -6.859 1.00 41.31 H new ATOM 0 HA3 GLY A 10 1.173 -0.653 -5.863 1.00 41.31 H new ATOM 164 N ALA A 11 1.811 -2.904 -8.215 1.00 52.13 N ATOM 165 CA ALA A 11 2.751 -3.261 -9.273 1.00 43.04 C ATOM 166 C ALA A 11 4.183 -3.317 -8.749 1.00 55.24 C ATOM 167 O ALA A 11 4.415 -3.268 -7.541 1.00 74.53 O ATOM 168 CB ALA A 11 2.647 -2.272 -10.425 1.00 11.22 C ATOM 0 H ALA A 11 1.011 -3.531 -8.135 1.00 52.13 H new ATOM 0 HA ALA A 11 2.489 -4.256 -9.634 1.00 43.04 H new ATOM 0 HB1 ALA A 11 3.353 -2.549 -11.208 1.00 11.22 H new ATOM 0 HB2 ALA A 11 1.634 -2.288 -10.828 1.00 11.22 H new ATOM 0 HB3 ALA A 11 2.879 -1.269 -10.066 1.00 11.22 H new ATOM 174 N GLY A 12 5.139 -3.419 -9.667 1.00 1.33 N ATOM 175 CA GLY A 12 6.537 -3.480 -9.280 1.00 3.03 C ATOM 176 C GLY A 12 7.348 -2.339 -9.861 1.00 54.22 C ATOM 177 O GLY A 12 8.463 -2.542 -10.342 1.00 33.33 O ATOM 0 H GLY A 12 4.971 -3.461 -10.672 1.00 1.33 H new ATOM 0 HA2 GLY A 12 6.611 -3.458 -8.193 1.00 3.03 H new ATOM 0 HA3 GLY A 12 6.961 -4.428 -9.610 1.00 3.03 H new ATOM 181 N GLY A 13 6.786 -1.135 -9.816 1.00 34.44 N ATOM 182 CA GLY A 13 7.476 0.027 -10.344 1.00 11.21 C ATOM 183 C GLY A 13 6.691 1.308 -10.141 1.00 45.42 C ATOM 184 O GLY A 13 6.701 2.192 -10.997 1.00 1.03 O ATOM 0 H GLY A 13 5.864 -0.944 -9.423 1.00 34.44 H new ATOM 0 HA2 GLY A 13 8.448 0.120 -9.860 1.00 11.21 H new ATOM 0 HA3 GLY A 13 7.662 -0.117 -11.408 1.00 11.21 H new ATOM 188 N VAL A 14 6.006 1.406 -9.006 1.00 45.10 N ATOM 189 CA VAL A 14 5.208 2.586 -8.694 1.00 23.43 C ATOM 190 C VAL A 14 5.822 3.385 -7.547 1.00 4.45 C ATOM 191 O VAL A 14 5.621 4.596 -7.444 1.00 62.43 O ATOM 192 CB VAL A 14 3.761 2.200 -8.326 1.00 72.31 C ATOM 193 CG1 VAL A 14 3.148 1.341 -9.419 1.00 23.23 C ATOM 194 CG2 VAL A 14 3.715 1.477 -6.988 1.00 34.12 C ATOM 0 H VAL A 14 5.988 0.682 -8.287 1.00 45.10 H new ATOM 0 HA VAL A 14 5.195 3.206 -9.591 1.00 23.43 H new ATOM 0 HB VAL A 14 3.176 3.115 -8.235 1.00 72.31 H new ATOM 0 HG11 VAL A 14 2.127 1.077 -9.144 1.00 23.23 H new ATOM 0 HG12 VAL A 14 3.139 1.897 -10.357 1.00 23.23 H new ATOM 0 HG13 VAL A 14 3.737 0.432 -9.541 1.00 23.23 H new ATOM 0 HG21 VAL A 14 2.684 1.215 -6.751 1.00 34.12 H new ATOM 0 HG22 VAL A 14 4.316 0.569 -7.044 1.00 34.12 H new ATOM 0 HG23 VAL A 14 4.112 2.128 -6.209 1.00 34.12 H new ATOM 204 N GLY A 15 6.567 2.700 -6.687 1.00 11.03 N ATOM 205 CA GLY A 15 7.195 3.360 -5.557 1.00 11.04 C ATOM 206 C GLY A 15 6.643 2.890 -4.224 1.00 23.14 C ATOM 207 O GLY A 15 6.806 3.563 -3.207 1.00 61.22 O ATOM 0 H GLY A 15 6.748 1.698 -6.752 1.00 11.03 H new ATOM 0 HA2 GLY A 15 8.269 3.177 -5.586 1.00 11.04 H new ATOM 0 HA3 GLY A 15 7.053 4.437 -5.645 1.00 11.04 H new ATOM 211 N LYS A 16 5.989 1.731 -4.227 1.00 63.40 N ATOM 212 CA LYS A 16 5.415 1.176 -3.007 1.00 20.42 C ATOM 213 C LYS A 16 6.502 0.910 -1.972 1.00 52.44 C ATOM 214 O LYS A 16 6.293 1.096 -0.774 1.00 31.52 O ATOM 215 CB LYS A 16 4.661 -0.118 -3.317 1.00 20.23 C ATOM 216 CG LYS A 16 5.491 -1.138 -4.081 1.00 35.05 C ATOM 217 CD LYS A 16 5.991 -2.247 -3.169 1.00 42.01 C ATOM 218 CE LYS A 16 5.127 -3.492 -3.280 1.00 74.55 C ATOM 219 NZ LYS A 16 5.671 -4.459 -4.273 1.00 34.43 N ATOM 0 H LYS A 16 5.844 1.160 -5.060 1.00 63.40 H new ATOM 0 HA LYS A 16 4.716 1.905 -2.597 1.00 20.42 H new ATOM 0 HB2 LYS A 16 4.323 -0.564 -2.382 1.00 20.23 H new ATOM 0 HB3 LYS A 16 3.770 0.121 -3.897 1.00 20.23 H new ATOM 0 HG2 LYS A 16 4.892 -1.568 -4.883 1.00 35.05 H new ATOM 0 HG3 LYS A 16 6.340 -0.640 -4.549 1.00 35.05 H new ATOM 0 HD2 LYS A 16 7.021 -2.494 -3.426 1.00 42.01 H new ATOM 0 HD3 LYS A 16 5.995 -1.897 -2.137 1.00 42.01 H new ATOM 0 HE2 LYS A 16 5.058 -3.974 -2.305 1.00 74.55 H new ATOM 0 HE3 LYS A 16 4.115 -3.207 -3.568 1.00 74.55 H new ATOM 0 HZ1 LYS A 16 5.053 -5.294 -4.319 1.00 34.43 H new ATOM 0 HZ2 LYS A 16 5.714 -4.008 -5.209 1.00 34.43 H new ATOM 0 HZ3 LYS A 16 6.627 -4.751 -3.986 1.00 34.43 H new ATOM 233 N SER A 17 7.666 0.477 -2.446 1.00 51.21 N ATOM 234 CA SER A 17 8.790 0.188 -1.564 1.00 64.42 C ATOM 235 C SER A 17 9.302 1.465 -0.907 1.00 12.01 C ATOM 236 O SER A 17 9.591 1.486 0.289 1.00 71.44 O ATOM 237 CB SER A 17 9.918 -0.487 -2.346 1.00 61.33 C ATOM 238 OG SER A 17 9.815 -0.211 -3.732 1.00 13.13 O ATOM 0 H SER A 17 7.855 0.319 -3.436 1.00 51.21 H new ATOM 0 HA SER A 17 8.446 -0.490 -0.783 1.00 64.42 H new ATOM 0 HB2 SER A 17 10.881 -0.139 -1.974 1.00 61.33 H new ATOM 0 HB3 SER A 17 9.883 -1.564 -2.183 1.00 61.33 H new ATOM 0 HG SER A 17 10.549 -0.652 -4.209 1.00 13.13 H new ATOM 244 N ALA A 18 9.409 2.529 -1.697 1.00 60.21 N ATOM 245 CA ALA A 18 9.884 3.812 -1.193 1.00 71.52 C ATOM 246 C ALA A 18 9.026 4.297 -0.030 1.00 44.31 C ATOM 247 O ALA A 18 9.542 4.792 0.972 1.00 34.22 O ATOM 248 CB ALA A 18 9.895 4.844 -2.310 1.00 73.50 C ATOM 0 H ALA A 18 9.173 2.527 -2.689 1.00 60.21 H new ATOM 0 HA ALA A 18 10.902 3.677 -0.827 1.00 71.52 H new ATOM 0 HB1 ALA A 18 10.252 5.798 -1.921 1.00 73.50 H new ATOM 0 HB2 ALA A 18 10.556 4.508 -3.109 1.00 73.50 H new ATOM 0 HB3 ALA A 18 8.885 4.967 -2.702 1.00 73.50 H new ATOM 254 N LEU A 19 7.712 4.150 -0.168 1.00 72.23 N ATOM 255 CA LEU A 19 6.783 4.572 0.873 1.00 42.35 C ATOM 256 C LEU A 19 6.958 3.726 2.130 1.00 52.01 C ATOM 257 O LEU A 19 6.757 4.204 3.246 1.00 44.43 O ATOM 258 CB LEU A 19 5.341 4.470 0.373 1.00 21.31 C ATOM 259 CG LEU A 19 4.949 5.500 -0.688 1.00 61.32 C ATOM 260 CD1 LEU A 19 3.702 5.049 -1.433 1.00 44.04 C ATOM 261 CD2 LEU A 19 4.726 6.863 -0.050 1.00 12.00 C ATOM 0 H LEU A 19 7.267 3.742 -0.990 1.00 72.23 H new ATOM 0 HA LEU A 19 7.000 5.611 1.120 1.00 42.35 H new ATOM 0 HB2 LEU A 19 5.184 3.472 -0.036 1.00 21.31 H new ATOM 0 HB3 LEU A 19 4.669 4.575 1.225 1.00 21.31 H new ATOM 0 HG LEU A 19 5.766 5.585 -1.405 1.00 61.32 H new ATOM 0 HD11 LEU A 19 3.438 5.794 -2.184 1.00 44.04 H new ATOM 0 HD12 LEU A 19 3.895 4.094 -1.921 1.00 44.04 H new ATOM 0 HD13 LEU A 19 2.878 4.936 -0.728 1.00 44.04 H new ATOM 0 HD21 LEU A 19 4.448 7.584 -0.819 1.00 12.00 H new ATOM 0 HD22 LEU A 19 3.927 6.793 0.688 1.00 12.00 H new ATOM 0 HD23 LEU A 19 5.643 7.190 0.439 1.00 12.00 H new ATOM 273 N THR A 20 7.335 2.465 1.941 1.00 35.52 N ATOM 274 CA THR A 20 7.538 1.552 3.059 1.00 64.13 C ATOM 275 C THR A 20 8.742 1.975 3.893 1.00 64.35 C ATOM 276 O THR A 20 8.644 2.122 5.111 1.00 3.14 O ATOM 277 CB THR A 20 7.731 0.122 2.552 1.00 1.11 C ATOM 278 OG1 THR A 20 6.628 -0.283 1.762 1.00 73.54 O ATOM 279 CG2 THR A 20 7.896 -0.890 3.665 1.00 71.00 C ATOM 0 H THR A 20 7.506 2.053 1.024 1.00 35.52 H new ATOM 0 HA THR A 20 6.650 1.588 3.690 1.00 64.13 H new ATOM 0 HB THR A 20 8.649 0.145 1.965 1.00 1.11 H new ATOM 0 HG1 THR A 20 6.845 -1.121 1.303 1.00 73.54 H new ATOM 0 HG21 THR A 20 8.029 -1.884 3.237 1.00 71.00 H new ATOM 0 HG22 THR A 20 8.770 -0.633 4.264 1.00 71.00 H new ATOM 0 HG23 THR A 20 7.008 -0.883 4.298 1.00 71.00 H new ATOM 287 N ILE A 21 9.877 2.173 3.230 1.00 12.52 N ATOM 288 CA ILE A 21 11.094 2.580 3.904 1.00 62.13 C ATOM 289 C ILE A 21 10.941 3.978 4.503 1.00 53.32 C ATOM 290 O ILE A 21 11.568 4.304 5.510 1.00 70.42 O ATOM 291 CB ILE A 21 12.288 2.548 2.926 1.00 50.33 C ATOM 292 CG1 ILE A 21 12.765 1.110 2.720 1.00 72.45 C ATOM 293 CG2 ILE A 21 13.426 3.415 3.430 1.00 72.34 C ATOM 294 CD1 ILE A 21 11.860 0.294 1.823 1.00 34.54 C ATOM 0 H ILE A 21 9.974 2.056 2.221 1.00 12.52 H new ATOM 0 HA ILE A 21 11.285 1.877 4.715 1.00 62.13 H new ATOM 0 HB ILE A 21 11.955 2.949 1.969 1.00 50.33 H new ATOM 0 HG12 ILE A 21 13.767 1.126 2.292 1.00 72.45 H new ATOM 0 HG13 ILE A 21 12.840 0.619 3.690 1.00 72.45 H new ATOM 0 HG21 ILE A 21 14.255 3.375 2.723 1.00 72.34 H new ATOM 0 HG22 ILE A 21 13.083 4.445 3.529 1.00 72.34 H new ATOM 0 HG23 ILE A 21 13.760 3.049 4.401 1.00 72.34 H new ATOM 0 HD11 ILE A 21 12.261 -0.715 1.722 1.00 34.54 H new ATOM 0 HD12 ILE A 21 10.862 0.246 2.259 1.00 34.54 H new ATOM 0 HD13 ILE A 21 11.804 0.762 0.840 1.00 34.54 H new ATOM 306 N GLN A 22 10.101 4.797 3.878 1.00 60.31 N ATOM 307 CA GLN A 22 9.865 6.155 4.354 1.00 20.43 C ATOM 308 C GLN A 22 9.144 6.135 5.698 1.00 11.12 C ATOM 309 O GLN A 22 9.480 6.893 6.607 1.00 25.35 O ATOM 310 CB GLN A 22 9.044 6.943 3.331 1.00 11.41 C ATOM 311 CG GLN A 22 9.871 7.485 2.177 1.00 53.54 C ATOM 312 CD GLN A 22 10.802 8.603 2.602 1.00 25.52 C ATOM 313 OE1 GLN A 22 10.886 8.943 3.782 1.00 22.31 O ATOM 314 NE2 GLN A 22 11.509 9.183 1.638 1.00 1.42 N ATOM 0 H GLN A 22 9.573 4.544 3.042 1.00 60.31 H new ATOM 0 HA GLN A 22 10.830 6.644 4.484 1.00 20.43 H new ATOM 0 HB2 GLN A 22 8.259 6.300 2.934 1.00 11.41 H new ATOM 0 HB3 GLN A 22 8.551 7.774 3.835 1.00 11.41 H new ATOM 0 HG2 GLN A 22 10.457 6.675 1.743 1.00 53.54 H new ATOM 0 HG3 GLN A 22 9.204 7.850 1.396 1.00 53.54 H new ATOM 0 HE21 GLN A 22 11.408 8.869 0.673 1.00 1.42 H new ATOM 0 HE22 GLN A 22 12.152 9.942 1.863 1.00 1.42 H new ATOM 323 N LEU A 23 8.152 5.259 5.815 1.00 40.42 N ATOM 324 CA LEU A 23 7.383 5.134 7.048 1.00 10.45 C ATOM 325 C LEU A 23 8.169 4.372 8.116 1.00 44.02 C ATOM 326 O LEU A 23 7.741 4.283 9.267 1.00 23.53 O ATOM 327 CB LEU A 23 6.057 4.423 6.771 1.00 75.22 C ATOM 328 CG LEU A 23 5.159 4.223 7.992 1.00 4.10 C ATOM 329 CD1 LEU A 23 4.828 5.560 8.636 1.00 4.34 C ATOM 330 CD2 LEU A 23 3.886 3.488 7.600 1.00 53.44 C ATOM 0 H LEU A 23 7.861 4.625 5.071 1.00 40.42 H new ATOM 0 HA LEU A 23 7.183 6.138 7.423 1.00 10.45 H new ATOM 0 HB2 LEU A 23 5.506 4.994 6.024 1.00 75.22 H new ATOM 0 HB3 LEU A 23 6.270 3.448 6.333 1.00 75.22 H new ATOM 0 HG LEU A 23 5.697 3.616 8.721 1.00 4.10 H new ATOM 0 HD11 LEU A 23 4.188 5.398 9.503 1.00 4.34 H new ATOM 0 HD12 LEU A 23 5.749 6.050 8.951 1.00 4.34 H new ATOM 0 HD13 LEU A 23 4.309 6.192 7.916 1.00 4.34 H new ATOM 0 HD21 LEU A 23 3.258 3.354 8.480 1.00 53.44 H new ATOM 0 HD22 LEU A 23 3.345 4.070 6.854 1.00 53.44 H new ATOM 0 HD23 LEU A 23 4.142 2.513 7.185 1.00 53.44 H new ATOM 342 N ILE A 24 9.318 3.819 7.729 1.00 44.41 N ATOM 343 CA ILE A 24 10.153 3.064 8.656 1.00 74.01 C ATOM 344 C ILE A 24 11.463 3.794 8.943 1.00 1.54 C ATOM 345 O ILE A 24 11.688 4.274 10.055 1.00 3.23 O ATOM 346 CB ILE A 24 10.469 1.659 8.101 1.00 12.41 C ATOM 347 CG1 ILE A 24 9.172 0.896 7.818 1.00 41.51 C ATOM 348 CG2 ILE A 24 11.348 0.880 9.071 1.00 24.30 C ATOM 349 CD1 ILE A 24 8.439 0.457 9.068 1.00 35.54 C ATOM 0 H ILE A 24 9.689 3.881 6.781 1.00 44.41 H new ATOM 0 HA ILE A 24 9.590 2.966 9.584 1.00 74.01 H new ATOM 0 HB ILE A 24 11.016 1.774 7.165 1.00 12.41 H new ATOM 0 HG12 ILE A 24 8.512 1.527 7.223 1.00 41.51 H new ATOM 0 HG13 ILE A 24 9.402 0.018 7.215 1.00 41.51 H new ATOM 0 HG21 ILE A 24 11.558 -0.107 8.659 1.00 24.30 H new ATOM 0 HG22 ILE A 24 12.285 1.416 9.224 1.00 24.30 H new ATOM 0 HG23 ILE A 24 10.831 0.773 10.025 1.00 24.30 H new ATOM 0 HD11 ILE A 24 7.531 -0.077 8.789 1.00 35.54 H new ATOM 0 HD12 ILE A 24 9.081 -0.201 9.654 1.00 35.54 H new ATOM 0 HD13 ILE A 24 8.177 1.332 9.663 1.00 35.54 H new ATOM 361 N GLN A 25 12.328 3.864 7.937 1.00 64.02 N ATOM 362 CA GLN A 25 13.621 4.525 8.081 1.00 14.42 C ATOM 363 C GLN A 25 13.517 6.020 7.792 1.00 64.04 C ATOM 364 O GLN A 25 14.309 6.814 8.298 1.00 31.30 O ATOM 365 CB GLN A 25 14.648 3.880 7.147 1.00 0.22 C ATOM 366 CG GLN A 25 14.541 2.366 7.084 1.00 22.40 C ATOM 367 CD GLN A 25 15.719 1.726 6.380 1.00 12.14 C ATOM 368 OE1 GLN A 25 16.837 2.240 6.421 1.00 32.42 O ATOM 369 NE2 GLN A 25 15.471 0.597 5.730 1.00 13.33 N ATOM 0 H GLN A 25 12.157 3.471 7.012 1.00 64.02 H new ATOM 0 HA GLN A 25 13.947 4.404 9.114 1.00 14.42 H new ATOM 0 HB2 GLN A 25 14.522 4.288 6.144 1.00 0.22 H new ATOM 0 HB3 GLN A 25 15.650 4.152 7.478 1.00 0.22 H new ATOM 0 HG2 GLN A 25 14.468 1.969 8.096 1.00 22.40 H new ATOM 0 HG3 GLN A 25 13.621 2.092 6.567 1.00 22.40 H new ATOM 0 HE21 GLN A 25 14.528 0.209 5.724 1.00 13.33 H new ATOM 0 HE22 GLN A 25 16.223 0.117 5.236 1.00 13.33 H new ATOM 588 N TYR A 40 7.953 -5.247 7.512 1.00 2.11 N ATOM 589 CA TYR A 40 8.531 -4.124 8.239 1.00 72.12 C ATOM 590 C TYR A 40 7.731 -3.830 9.504 1.00 74.42 C ATOM 591 O TYR A 40 6.569 -3.429 9.437 1.00 0.14 O ATOM 592 CB TYR A 40 8.577 -2.880 7.349 1.00 74.42 C ATOM 593 CG TYR A 40 9.580 -2.977 6.222 1.00 43.41 C ATOM 594 CD1 TYR A 40 9.282 -3.678 5.060 1.00 61.11 C ATOM 595 CD2 TYR A 40 10.825 -2.368 6.320 1.00 23.12 C ATOM 596 CE1 TYR A 40 10.196 -3.768 4.027 1.00 12.14 C ATOM 597 CE2 TYR A 40 11.744 -2.453 5.292 1.00 10.33 C ATOM 598 CZ TYR A 40 11.425 -3.154 4.148 1.00 2.12 C ATOM 599 OH TYR A 40 12.338 -3.242 3.122 1.00 12.15 O ATOM 0 HA TYR A 40 9.548 -4.392 8.526 1.00 72.12 H new ATOM 0 HB2 TYR A 40 7.586 -2.708 6.928 1.00 74.42 H new ATOM 0 HB3 TYR A 40 8.817 -2.013 7.964 1.00 74.42 H new ATOM 0 HD1 TYR A 40 8.321 -4.160 4.962 1.00 61.11 H new ATOM 0 HD2 TYR A 40 11.079 -1.819 7.215 1.00 23.12 H new ATOM 0 HE1 TYR A 40 9.949 -4.316 3.130 1.00 12.14 H new ATOM 0 HE2 TYR A 40 12.707 -1.973 5.384 1.00 10.33 H new ATOM 0 HH TYR A 40 13.152 -2.754 3.366 1.00 12.15 H new ATOM 609 N ARG A 41 8.360 -4.033 10.657 1.00 22.04 N ATOM 610 CA ARG A 41 7.704 -3.791 11.936 1.00 71.35 C ATOM 611 C ARG A 41 8.074 -2.418 12.488 1.00 23.45 C ATOM 612 O ARG A 41 9.238 -2.019 12.457 1.00 5.23 O ATOM 613 CB ARG A 41 8.083 -4.882 12.942 1.00 12.04 C ATOM 614 CG ARG A 41 6.953 -5.856 13.235 1.00 44.10 C ATOM 615 CD ARG A 41 7.424 -7.012 14.104 1.00 22.31 C ATOM 616 NE ARG A 41 6.455 -7.343 15.146 1.00 33.34 N ATOM 617 CZ ARG A 41 6.731 -8.113 16.196 1.00 14.12 C ATOM 618 NH1 ARG A 41 7.942 -8.633 16.347 1.00 32.11 N ATOM 619 NH2 ARG A 41 5.792 -8.363 17.099 1.00 2.12 N ATOM 0 H ARG A 41 9.322 -4.364 10.732 1.00 22.04 H new ATOM 0 HA ARG A 41 6.626 -3.816 11.774 1.00 71.35 H new ATOM 0 HB2 ARG A 41 8.940 -5.436 12.559 1.00 12.04 H new ATOM 0 HB3 ARG A 41 8.398 -4.412 13.874 1.00 12.04 H new ATOM 0 HG2 ARG A 41 6.140 -5.331 13.736 1.00 44.10 H new ATOM 0 HG3 ARG A 41 6.553 -6.243 12.298 1.00 44.10 H new ATOM 0 HD2 ARG A 41 7.598 -7.888 13.479 1.00 22.31 H new ATOM 0 HD3 ARG A 41 8.378 -6.754 14.564 1.00 22.31 H new ATOM 0 HE ARG A 41 5.512 -6.962 15.064 1.00 33.34 H new ATOM 0 HH11 ARG A 41 8.668 -8.444 15.656 1.00 32.11 H new ATOM 0 HH12 ARG A 41 8.147 -9.222 17.154 1.00 32.11 H new ATOM 0 HH21 ARG A 41 4.859 -7.965 16.988 1.00 2.12 H new ATOM 0 HH22 ARG A 41 6.003 -8.953 17.904 1.00 2.12 H new ATOM 633 N LYS A 42 7.075 -1.701 12.991 1.00 72.40 N ATOM 634 CA LYS A 42 7.293 -0.373 13.551 1.00 32.12 C ATOM 635 C LYS A 42 6.301 -0.090 14.676 1.00 71.15 C ATOM 636 O LYS A 42 5.185 -0.609 14.679 1.00 74.35 O ATOM 637 CB LYS A 42 7.167 0.692 12.455 1.00 63.24 C ATOM 638 CG LYS A 42 7.146 2.119 12.983 1.00 31.21 C ATOM 639 CD LYS A 42 7.238 3.134 11.856 1.00 73.23 C ATOM 640 CE LYS A 42 8.162 4.286 12.219 1.00 14.02 C ATOM 641 NZ LYS A 42 7.596 5.131 13.306 1.00 73.05 N ATOM 0 H LYS A 42 6.106 -2.018 13.022 1.00 72.40 H new ATOM 0 HA LYS A 42 8.301 -0.337 13.965 1.00 32.12 H new ATOM 0 HB2 LYS A 42 7.999 0.584 11.760 1.00 63.24 H new ATOM 0 HB3 LYS A 42 6.253 0.511 11.889 1.00 63.24 H new ATOM 0 HG2 LYS A 42 6.229 2.285 13.549 1.00 31.21 H new ATOM 0 HG3 LYS A 42 7.977 2.264 13.673 1.00 31.21 H new ATOM 0 HD2 LYS A 42 7.602 2.645 10.953 1.00 73.23 H new ATOM 0 HD3 LYS A 42 6.244 3.520 11.631 1.00 73.23 H new ATOM 0 HE2 LYS A 42 9.128 3.891 12.532 1.00 14.02 H new ATOM 0 HE3 LYS A 42 8.340 4.901 11.337 1.00 14.02 H new ATOM 0 HZ1 LYS A 42 8.256 5.905 13.524 1.00 73.05 H new ATOM 0 HZ2 LYS A 42 6.686 5.529 12.998 1.00 73.05 H new ATOM 0 HZ3 LYS A 42 7.450 4.551 14.157 1.00 73.05 H new ATOM 655 N GLN A 43 6.716 0.740 15.628 1.00 1.40 N ATOM 656 CA GLN A 43 5.865 1.096 16.757 1.00 12.14 C ATOM 657 C GLN A 43 5.405 2.546 16.650 1.00 22.11 C ATOM 658 O GLN A 43 6.222 3.466 16.611 1.00 71.42 O ATOM 659 CB GLN A 43 6.614 0.878 18.074 1.00 1.33 C ATOM 660 CG GLN A 43 5.804 1.252 19.305 1.00 13.34 C ATOM 661 CD GLN A 43 6.530 0.935 20.598 1.00 4.13 C ATOM 662 OE1 GLN A 43 5.787 0.468 21.594 1.00 64.30 O flip ATOM 663 NE2 GLN A 43 7.745 1.107 20.699 1.00 55.43 N flip ATOM 0 H GLN A 43 7.637 1.179 15.640 1.00 1.40 H new ATOM 0 HA GLN A 43 4.985 0.453 16.739 1.00 12.14 H new ATOM 0 HB2 GLN A 43 6.907 -0.169 18.147 1.00 1.33 H new ATOM 0 HB3 GLN A 43 7.532 1.465 18.061 1.00 1.33 H new ATOM 0 HG2 GLN A 43 5.573 2.317 19.274 1.00 13.34 H new ATOM 0 HG3 GLN A 43 4.853 0.719 19.286 1.00 13.34 H new ATOM 0 HE21 GLN A 43 8.277 1.468 19.907 1.00 55.43 H new ATOM 0 HE22 GLN A 43 8.220 0.888 21.575 1.00 55.43 H new ATOM 672 N VAL A 44 4.091 2.743 16.600 1.00 50.02 N ATOM 673 CA VAL A 44 3.524 4.081 16.495 1.00 4.30 C ATOM 674 C VAL A 44 2.373 4.273 17.478 1.00 12.32 C ATOM 675 O VAL A 44 1.987 3.342 18.185 1.00 31.45 O ATOM 676 CB VAL A 44 3.017 4.364 15.068 1.00 31.42 C ATOM 677 CG1 VAL A 44 4.172 4.356 14.079 1.00 60.23 C ATOM 678 CG2 VAL A 44 1.956 3.350 14.667 1.00 13.22 C ATOM 0 H VAL A 44 3.400 1.993 16.631 1.00 50.02 H new ATOM 0 HA VAL A 44 4.323 4.782 16.737 1.00 4.30 H new ATOM 0 HB VAL A 44 2.564 5.355 15.054 1.00 31.42 H new ATOM 0 HG11 VAL A 44 3.794 4.558 13.077 1.00 60.23 H new ATOM 0 HG12 VAL A 44 4.894 5.124 14.356 1.00 60.23 H new ATOM 0 HG13 VAL A 44 4.657 3.380 14.094 1.00 60.23 H new ATOM 0 HG21 VAL A 44 1.610 3.566 13.656 1.00 13.22 H new ATOM 0 HG22 VAL A 44 2.381 2.347 14.698 1.00 13.22 H new ATOM 0 HG23 VAL A 44 1.116 3.410 15.359 1.00 13.22 H new ATOM 688 N VAL A 45 1.829 5.485 17.515 1.00 74.21 N ATOM 689 CA VAL A 45 0.721 5.800 18.410 1.00 50.31 C ATOM 690 C VAL A 45 -0.472 6.346 17.632 1.00 21.24 C ATOM 691 O VAL A 45 -0.486 7.512 17.236 1.00 30.04 O ATOM 692 CB VAL A 45 1.137 6.827 19.480 1.00 2.22 C ATOM 693 CG1 VAL A 45 0.005 7.060 20.470 1.00 40.01 C ATOM 694 CG2 VAL A 45 2.396 6.369 20.199 1.00 51.11 C ATOM 0 H VAL A 45 2.137 6.266 16.935 1.00 74.21 H new ATOM 0 HA VAL A 45 0.437 4.870 18.903 1.00 50.31 H new ATOM 0 HB VAL A 45 1.353 7.773 18.982 1.00 2.22 H new ATOM 0 HG11 VAL A 45 0.319 7.789 21.217 1.00 40.01 H new ATOM 0 HG12 VAL A 45 -0.870 7.438 19.940 1.00 40.01 H new ATOM 0 HG13 VAL A 45 -0.247 6.121 20.962 1.00 40.01 H new ATOM 0 HG21 VAL A 45 2.674 7.107 20.951 1.00 51.11 H new ATOM 0 HG22 VAL A 45 2.210 5.410 20.683 1.00 51.11 H new ATOM 0 HG23 VAL A 45 3.207 6.261 19.479 1.00 51.11 H new ATOM 704 N ILE A 46 -1.471 5.497 17.418 1.00 31.05 N ATOM 705 CA ILE A 46 -2.668 5.895 16.689 1.00 74.14 C ATOM 706 C ILE A 46 -3.927 5.577 17.489 1.00 43.11 C ATOM 707 O ILE A 46 -4.034 4.516 18.102 1.00 32.23 O ATOM 708 CB ILE A 46 -2.749 5.195 15.319 1.00 34.44 C ATOM 709 CG1 ILE A 46 -1.446 5.397 14.543 1.00 2.34 C ATOM 710 CG2 ILE A 46 -3.932 5.722 14.522 1.00 1.03 C ATOM 711 CD1 ILE A 46 -1.388 4.618 13.247 1.00 70.11 C ATOM 0 H ILE A 46 -1.475 4.529 17.739 1.00 31.05 H new ATOM 0 HA ILE A 46 -2.603 6.972 16.533 1.00 74.14 H new ATOM 0 HB ILE A 46 -2.894 4.127 15.482 1.00 34.44 H new ATOM 0 HG12 ILE A 46 -1.323 6.458 14.326 1.00 2.34 H new ATOM 0 HG13 ILE A 46 -0.607 5.101 15.173 1.00 2.34 H new ATOM 0 HG21 ILE A 46 -3.975 5.217 13.557 1.00 1.03 H new ATOM 0 HG22 ILE A 46 -4.854 5.533 15.071 1.00 1.03 H new ATOM 0 HG23 ILE A 46 -3.816 6.794 14.365 1.00 1.03 H new ATOM 0 HD11 ILE A 46 -0.437 4.809 12.750 1.00 70.11 H new ATOM 0 HD12 ILE A 46 -1.480 3.553 13.458 1.00 70.11 H new ATOM 0 HD13 ILE A 46 -2.206 4.931 12.598 1.00 70.11 H new ATOM 723 N ASP A 47 -4.878 6.506 17.478 1.00 24.43 N ATOM 724 CA ASP A 47 -6.131 6.328 18.203 1.00 25.34 C ATOM 725 C ASP A 47 -5.883 6.236 19.706 1.00 15.20 C ATOM 726 O ASP A 47 -6.636 5.585 20.430 1.00 34.35 O ATOM 727 CB ASP A 47 -6.854 5.070 17.715 1.00 4.21 C ATOM 728 CG ASP A 47 -8.351 5.274 17.593 1.00 54.11 C ATOM 729 OD1 ASP A 47 -8.882 6.188 18.259 1.00 0.22 O ATOM 730 OD2 ASP A 47 -8.993 4.521 16.830 1.00 25.04 O ATOM 0 H ASP A 47 -4.804 7.390 16.975 1.00 24.43 H new ATOM 0 HA ASP A 47 -6.759 7.197 18.010 1.00 25.34 H new ATOM 0 HB2 ASP A 47 -6.450 4.775 16.746 1.00 4.21 H new ATOM 0 HB3 ASP A 47 -6.657 4.250 18.406 1.00 4.21 H new ATOM 735 N GLY A 48 -4.823 6.892 20.169 1.00 13.03 N ATOM 736 CA GLY A 48 -4.498 6.870 21.583 1.00 55.42 C ATOM 737 C GLY A 48 -4.193 5.472 22.084 1.00 11.32 C ATOM 738 O GLY A 48 -4.381 5.173 23.264 1.00 64.11 O ATOM 0 H GLY A 48 -4.184 7.438 19.591 1.00 13.03 H new ATOM 0 HA2 GLY A 48 -3.638 7.514 21.765 1.00 55.42 H new ATOM 0 HA3 GLY A 48 -5.332 7.283 22.151 1.00 55.42 H new ATOM 742 N GLU A 49 -3.721 4.614 21.186 1.00 23.01 N ATOM 743 CA GLU A 49 -3.389 3.240 21.542 1.00 51.00 C ATOM 744 C GLU A 49 -2.186 2.748 20.744 1.00 52.22 C ATOM 745 O GLU A 49 -2.295 2.463 19.551 1.00 71.14 O ATOM 746 CB GLU A 49 -4.591 2.324 21.297 1.00 34.42 C ATOM 747 CG GLU A 49 -4.325 0.866 21.635 1.00 60.12 C ATOM 748 CD GLU A 49 -5.382 0.276 22.549 1.00 43.50 C ATOM 749 OE1 GLU A 49 -6.434 -0.160 22.036 1.00 52.12 O ATOM 750 OE2 GLU A 49 -5.157 0.249 23.777 1.00 13.03 O ATOM 0 H GLU A 49 -3.560 4.846 20.206 1.00 23.01 H new ATOM 0 HA GLU A 49 -3.133 3.215 22.601 1.00 51.00 H new ATOM 0 HB2 GLU A 49 -5.434 2.678 21.891 1.00 34.42 H new ATOM 0 HB3 GLU A 49 -4.886 2.398 20.250 1.00 34.42 H new ATOM 0 HG2 GLU A 49 -4.282 0.285 20.713 1.00 60.12 H new ATOM 0 HG3 GLU A 49 -3.349 0.780 22.112 1.00 60.12 H new ATOM 757 N THR A 50 -1.039 2.650 21.410 1.00 44.00 N ATOM 758 CA THR A 50 0.186 2.192 20.764 1.00 74.34 C ATOM 759 C THR A 50 -0.017 0.825 20.118 1.00 72.15 C ATOM 760 O THR A 50 -0.511 -0.106 20.754 1.00 63.13 O ATOM 761 CB THR A 50 1.328 2.126 21.779 1.00 42.33 C ATOM 762 OG1 THR A 50 1.537 3.390 22.381 1.00 23.24 O ATOM 763 CG2 THR A 50 2.643 1.682 21.173 1.00 61.12 C ATOM 0 H THR A 50 -0.933 2.882 22.398 1.00 44.00 H new ATOM 0 HA THR A 50 0.445 2.907 19.983 1.00 74.34 H new ATOM 0 HB THR A 50 1.018 1.385 22.515 1.00 42.33 H new ATOM 0 HG1 THR A 50 2.270 3.327 23.028 1.00 23.24 H new ATOM 0 HG21 THR A 50 3.410 1.657 21.947 1.00 61.12 H new ATOM 0 HG22 THR A 50 2.528 0.687 20.743 1.00 61.12 H new ATOM 0 HG23 THR A 50 2.939 2.382 20.392 1.00 61.12 H new ATOM 771 N CYS A 51 0.368 0.711 18.851 1.00 61.03 N ATOM 772 CA CYS A 51 0.227 -0.542 18.120 1.00 42.31 C ATOM 773 C CYS A 51 1.361 -0.720 17.117 1.00 34.20 C ATOM 774 O CYS A 51 1.974 0.253 16.677 1.00 35.35 O ATOM 775 CB CYS A 51 -1.118 -0.584 17.395 1.00 44.45 C ATOM 776 SG CYS A 51 -2.550 -0.650 18.497 1.00 2.43 S ATOM 0 H CYS A 51 0.780 1.471 18.310 1.00 61.03 H new ATOM 0 HA CYS A 51 0.272 -1.359 18.840 1.00 42.31 H new ATOM 0 HB2 CYS A 51 -1.203 0.297 16.759 1.00 44.45 H new ATOM 0 HB3 CYS A 51 -1.138 -1.454 16.739 1.00 44.45 H new ATOM 0 HG CYS A 51 -2.156 -0.518 19.729 1.00 2.43 H new ATOM 782 N LEU A 52 1.632 -1.969 16.756 1.00 12.23 N ATOM 783 CA LEU A 52 2.690 -2.275 15.801 1.00 22.12 C ATOM 784 C LEU A 52 2.177 -2.154 14.371 1.00 41.33 C ATOM 785 O LEU A 52 1.019 -2.462 14.088 1.00 63.42 O ATOM 786 CB LEU A 52 3.234 -3.684 16.045 1.00 61.14 C ATOM 787 CG LEU A 52 3.889 -3.894 17.413 1.00 65.24 C ATOM 788 CD1 LEU A 52 3.394 -5.183 18.053 1.00 5.41 C ATOM 789 CD2 LEU A 52 5.405 -3.910 17.282 1.00 14.41 C ATOM 0 H LEU A 52 1.134 -2.786 17.110 1.00 12.23 H new ATOM 0 HA LEU A 52 3.496 -1.555 15.942 1.00 22.12 H new ATOM 0 HB2 LEU A 52 2.417 -4.397 15.936 1.00 61.14 H new ATOM 0 HB3 LEU A 52 3.964 -3.915 15.269 1.00 61.14 H new ATOM 0 HG LEU A 52 3.608 -3.062 18.059 1.00 65.24 H new ATOM 0 HD11 LEU A 52 3.871 -5.314 19.024 1.00 5.41 H new ATOM 0 HD12 LEU A 52 2.313 -5.133 18.184 1.00 5.41 H new ATOM 0 HD13 LEU A 52 3.643 -6.027 17.410 1.00 5.41 H new ATOM 0 HD21 LEU A 52 5.853 -4.060 18.264 1.00 14.41 H new ATOM 0 HD22 LEU A 52 5.704 -4.721 16.618 1.00 14.41 H new ATOM 0 HD23 LEU A 52 5.745 -2.960 16.870 1.00 14.41 H new ATOM 801 N LEU A 53 3.044 -1.700 13.473 1.00 70.43 N ATOM 802 CA LEU A 53 2.675 -1.534 12.072 1.00 51.55 C ATOM 803 C LEU A 53 3.475 -2.477 11.179 1.00 73.31 C ATOM 804 O LEU A 53 4.581 -2.152 10.749 1.00 10.40 O ATOM 805 CB LEU A 53 2.897 -0.085 11.634 1.00 22.13 C ATOM 806 CG LEU A 53 1.873 0.916 12.171 1.00 74.23 C ATOM 807 CD1 LEU A 53 2.207 2.324 11.703 1.00 42.41 C ATOM 808 CD2 LEU A 53 0.469 0.527 11.734 1.00 1.03 C ATOM 0 H LEU A 53 4.006 -1.441 13.690 1.00 70.43 H new ATOM 0 HA LEU A 53 1.618 -1.780 11.970 1.00 51.55 H new ATOM 0 HB2 LEU A 53 3.891 0.227 11.954 1.00 22.13 H new ATOM 0 HB3 LEU A 53 2.886 -0.045 10.545 1.00 22.13 H new ATOM 0 HG LEU A 53 1.912 0.898 13.260 1.00 74.23 H new ATOM 0 HD11 LEU A 53 1.468 3.023 12.095 1.00 42.41 H new ATOM 0 HD12 LEU A 53 3.197 2.602 12.065 1.00 42.41 H new ATOM 0 HD13 LEU A 53 2.196 2.357 10.614 1.00 42.41 H new ATOM 0 HD21 LEU A 53 -0.247 1.250 12.125 1.00 1.03 H new ATOM 0 HD22 LEU A 53 0.417 0.516 10.645 1.00 1.03 H new ATOM 0 HD23 LEU A 53 0.230 -0.465 12.118 1.00 1.03 H new ATOM 820 N ASP A 54 2.906 -3.646 10.904 1.00 71.31 N ATOM 821 CA ASP A 54 3.564 -4.637 10.060 1.00 31.34 C ATOM 822 C ASP A 54 3.267 -4.377 8.587 1.00 33.43 C ATOM 823 O ASP A 54 2.204 -4.743 8.084 1.00 62.51 O ATOM 824 CB ASP A 54 3.109 -6.047 10.443 1.00 10.21 C ATOM 825 CG ASP A 54 4.230 -7.063 10.344 1.00 72.31 C ATOM 826 OD1 ASP A 54 5.113 -6.890 9.478 1.00 12.32 O ATOM 827 OD2 ASP A 54 4.224 -8.032 11.132 1.00 52.30 O ATOM 0 H ASP A 54 1.991 -3.930 11.253 1.00 71.31 H new ATOM 0 HA ASP A 54 4.640 -4.556 10.216 1.00 31.34 H new ATOM 0 HB2 ASP A 54 2.721 -6.036 11.461 1.00 10.21 H new ATOM 0 HB3 ASP A 54 2.289 -6.350 9.792 1.00 10.21 H new ATOM 832 N ILE A 55 4.211 -3.742 7.902 1.00 60.11 N ATOM 833 CA ILE A 55 4.048 -3.431 6.486 1.00 44.13 C ATOM 834 C ILE A 55 4.606 -4.549 5.611 1.00 14.11 C ATOM 835 O ILE A 55 5.817 -4.760 5.553 1.00 3.43 O ATOM 836 CB ILE A 55 4.747 -2.107 6.114 1.00 4.45 C ATOM 837 CG1 ILE A 55 4.478 -1.038 7.177 1.00 24.02 C ATOM 838 CG2 ILE A 55 4.281 -1.631 4.746 1.00 63.40 C ATOM 839 CD1 ILE A 55 3.007 -0.819 7.461 1.00 43.01 C ATOM 0 H ILE A 55 5.096 -3.433 8.303 1.00 60.11 H new ATOM 0 HA ILE A 55 2.978 -3.330 6.307 1.00 44.13 H new ATOM 0 HB ILE A 55 5.822 -2.283 6.072 1.00 4.45 H new ATOM 0 HG12 ILE A 55 4.979 -1.324 8.102 1.00 24.02 H new ATOM 0 HG13 ILE A 55 4.921 -0.096 6.853 1.00 24.02 H new ATOM 0 HG21 ILE A 55 4.782 -0.696 4.496 1.00 63.40 H new ATOM 0 HG22 ILE A 55 4.524 -2.384 3.997 1.00 63.40 H new ATOM 0 HG23 ILE A 55 3.203 -1.471 4.764 1.00 63.40 H new ATOM 0 HD11 ILE A 55 2.894 -0.048 8.224 1.00 43.01 H new ATOM 0 HD12 ILE A 55 2.503 -0.502 6.548 1.00 43.01 H new ATOM 0 HD13 ILE A 55 2.563 -1.749 7.816 1.00 43.01 H new ATOM 851 N LEU A 56 3.714 -5.263 4.931 1.00 21.44 N ATOM 852 CA LEU A 56 4.116 -6.361 4.058 1.00 5.13 C ATOM 853 C LEU A 56 4.613 -5.837 2.714 1.00 41.43 C ATOM 854 O LEU A 56 3.880 -5.162 1.991 1.00 3.00 O ATOM 855 CB LEU A 56 2.947 -7.323 3.842 1.00 35.23 C ATOM 856 CG LEU A 56 3.221 -8.473 2.869 1.00 60.15 C ATOM 857 CD1 LEU A 56 4.601 -9.068 3.111 1.00 51.22 C ATOM 858 CD2 LEU A 56 2.149 -9.542 3.001 1.00 44.33 C ATOM 0 H LEU A 56 2.708 -5.101 4.968 1.00 21.44 H new ATOM 0 HA LEU A 56 4.933 -6.895 4.543 1.00 5.13 H new ATOM 0 HB2 LEU A 56 2.661 -7.744 4.806 1.00 35.23 H new ATOM 0 HB3 LEU A 56 2.092 -6.754 3.476 1.00 35.23 H new ATOM 0 HG LEU A 56 3.195 -8.078 1.854 1.00 60.15 H new ATOM 0 HD11 LEU A 56 4.774 -9.883 2.408 1.00 51.22 H new ATOM 0 HD12 LEU A 56 5.359 -8.298 2.968 1.00 51.22 H new ATOM 0 HD13 LEU A 56 4.659 -9.449 4.131 1.00 51.22 H new ATOM 0 HD21 LEU A 56 2.356 -10.353 2.303 1.00 44.33 H new ATOM 0 HD22 LEU A 56 2.146 -9.931 4.019 1.00 44.33 H new ATOM 0 HD23 LEU A 56 1.174 -9.110 2.775 1.00 44.33 H new ATOM 870 N ASP A 57 5.860 -6.157 2.386 1.00 22.44 N ATOM 871 CA ASP A 57 6.455 -5.724 1.127 1.00 3.53 C ATOM 872 C ASP A 57 6.842 -6.926 0.272 1.00 62.14 C ATOM 873 O ASP A 57 7.910 -7.510 0.451 1.00 43.43 O ATOM 874 CB ASP A 57 7.684 -4.852 1.390 1.00 3.41 C ATOM 875 CG ASP A 57 7.881 -3.794 0.323 1.00 2.32 C ATOM 876 OD1 ASP A 57 8.332 -4.146 -0.787 1.00 53.23 O ATOM 877 OD2 ASP A 57 7.584 -2.612 0.598 1.00 41.41 O ATOM 0 H ASP A 57 6.479 -6.715 2.975 1.00 22.44 H new ATOM 0 HA ASP A 57 5.714 -5.136 0.585 1.00 3.53 H new ATOM 0 HB2 ASP A 57 7.582 -4.369 2.362 1.00 3.41 H new ATOM 0 HB3 ASP A 57 8.571 -5.484 1.439 1.00 3.41 H new ATOM 882 N THR A 58 5.963 -7.294 -0.654 1.00 2.13 N ATOM 883 CA THR A 58 6.208 -8.431 -1.534 1.00 10.21 C ATOM 884 C THR A 58 7.128 -8.043 -2.687 1.00 75.02 C ATOM 885 O THR A 58 7.623 -6.918 -2.749 1.00 73.30 O ATOM 886 CB THR A 58 4.887 -8.973 -2.081 1.00 5.32 C ATOM 887 OG1 THR A 58 4.400 -8.147 -3.124 1.00 22.00 O ATOM 888 CG2 THR A 58 3.801 -9.078 -1.033 1.00 52.13 C ATOM 0 H THR A 58 5.074 -6.821 -0.815 1.00 2.13 H new ATOM 0 HA THR A 58 6.699 -9.209 -0.950 1.00 10.21 H new ATOM 0 HB THR A 58 5.115 -9.975 -2.444 1.00 5.32 H new ATOM 0 HG1 THR A 58 3.555 -8.511 -3.462 1.00 22.00 H new ATOM 0 HG21 THR A 58 2.892 -9.469 -1.489 1.00 52.13 H new ATOM 0 HG22 THR A 58 4.126 -9.749 -0.238 1.00 52.13 H new ATOM 0 HG23 THR A 58 3.602 -8.091 -0.615 1.00 52.13 H new ATOM 896 N ALA A 59 7.351 -8.984 -3.598 1.00 10.12 N ATOM 897 CA ALA A 59 8.211 -8.744 -4.751 1.00 33.13 C ATOM 898 C ALA A 59 7.385 -8.490 -6.007 1.00 11.11 C ATOM 899 O ALA A 59 6.475 -9.253 -6.330 1.00 42.54 O ATOM 900 CB ALA A 59 9.148 -9.924 -4.962 1.00 45.44 C ATOM 0 H ALA A 59 6.948 -9.920 -3.560 1.00 10.12 H new ATOM 0 HA ALA A 59 8.806 -7.852 -4.553 1.00 33.13 H new ATOM 0 HB1 ALA A 59 9.785 -9.733 -5.826 1.00 45.44 H new ATOM 0 HB2 ALA A 59 9.769 -10.059 -4.076 1.00 45.44 H new ATOM 0 HB3 ALA A 59 8.563 -10.827 -5.136 1.00 45.44 H new ATOM 1002 N MET A 67 2.022 -17.073 -3.594 1.00 41.51 N ATOM 1003 CA MET A 67 2.230 -16.466 -2.287 1.00 44.25 C ATOM 1004 C MET A 67 1.271 -15.301 -2.064 1.00 62.24 C ATOM 1005 O MET A 67 0.974 -14.943 -0.924 1.00 41.41 O ATOM 1006 CB MET A 67 3.681 -16.000 -2.143 1.00 22.33 C ATOM 1007 CG MET A 67 4.715 -17.043 -2.562 1.00 1.04 C ATOM 1008 SD MET A 67 4.149 -18.746 -2.340 1.00 44.01 S ATOM 1009 CE MET A 67 5.564 -19.479 -1.526 1.00 10.53 C ATOM 0 HA MET A 67 2.026 -17.220 -1.526 1.00 44.25 H new ATOM 0 HB2 MET A 67 3.824 -15.101 -2.743 1.00 22.33 H new ATOM 0 HB3 MET A 67 3.861 -15.722 -1.104 1.00 22.33 H new ATOM 0 HG2 MET A 67 4.973 -16.887 -3.610 1.00 1.04 H new ATOM 0 HG3 MET A 67 5.627 -16.893 -1.984 1.00 1.04 H new ATOM 0 HE1 MET A 67 5.363 -20.531 -1.324 1.00 10.53 H new ATOM 0 HE2 MET A 67 6.439 -19.394 -2.170 1.00 10.53 H new ATOM 0 HE3 MET A 67 5.753 -18.959 -0.587 1.00 10.53 H new ATOM 1019 N ARG A 68 0.775 -14.719 -3.154 1.00 2.31 N ATOM 1020 CA ARG A 68 -0.163 -13.605 -3.057 1.00 34.32 C ATOM 1021 C ARG A 68 -1.383 -14.022 -2.245 1.00 42.51 C ATOM 1022 O ARG A 68 -1.801 -13.321 -1.324 1.00 11.31 O ATOM 1023 CB ARG A 68 -0.596 -13.140 -4.449 1.00 44.43 C ATOM 1024 CG ARG A 68 0.440 -12.278 -5.152 1.00 13.33 C ATOM 1025 CD ARG A 68 -0.202 -11.075 -5.826 1.00 31.33 C ATOM 1026 NE ARG A 68 0.794 -10.172 -6.398 1.00 30.42 N ATOM 1027 CZ ARG A 68 1.450 -10.416 -7.530 1.00 72.03 C ATOM 1028 NH1 ARG A 68 1.220 -11.531 -8.212 1.00 21.35 N ATOM 1029 NH2 ARG A 68 2.339 -9.541 -7.980 1.00 2.52 N ATOM 0 H ARG A 68 1.005 -14.998 -4.108 1.00 2.31 H new ATOM 0 HA ARG A 68 0.336 -12.776 -2.556 1.00 34.32 H new ATOM 0 HB2 ARG A 68 -0.808 -14.014 -5.065 1.00 44.43 H new ATOM 0 HB3 ARG A 68 -1.526 -12.578 -4.362 1.00 44.43 H new ATOM 0 HG2 ARG A 68 1.183 -11.939 -4.430 1.00 13.33 H new ATOM 0 HG3 ARG A 68 0.968 -12.875 -5.896 1.00 13.33 H new ATOM 0 HD2 ARG A 68 -0.876 -11.416 -6.612 1.00 31.33 H new ATOM 0 HD3 ARG A 68 -0.808 -10.533 -5.100 1.00 31.33 H new ATOM 0 HE ARG A 68 0.998 -9.305 -5.901 1.00 30.42 H new ATOM 0 HH11 ARG A 68 0.537 -12.207 -7.869 1.00 21.35 H new ATOM 0 HH12 ARG A 68 1.726 -11.712 -9.079 1.00 21.35 H new ATOM 0 HH21 ARG A 68 2.519 -8.683 -7.459 1.00 2.52 H new ATOM 0 HH22 ARG A 68 2.843 -9.726 -8.847 1.00 2.52 H new ATOM 1043 N ASP A 69 -1.938 -15.182 -2.587 1.00 44.44 N ATOM 1044 CA ASP A 69 -3.097 -15.714 -1.884 1.00 13.40 C ATOM 1045 C ASP A 69 -2.789 -15.856 -0.398 1.00 33.53 C ATOM 1046 O ASP A 69 -3.675 -15.733 0.448 1.00 61.33 O ATOM 1047 CB ASP A 69 -3.491 -17.072 -2.470 1.00 42.13 C ATOM 1048 CG ASP A 69 -4.930 -17.440 -2.168 1.00 35.34 C ATOM 1049 OD1 ASP A 69 -5.359 -17.256 -1.009 1.00 73.23 O ATOM 1050 OD2 ASP A 69 -5.628 -17.912 -3.089 1.00 52.42 O ATOM 0 H ASP A 69 -1.601 -15.771 -3.349 1.00 44.44 H new ATOM 0 HA ASP A 69 -3.930 -15.022 -2.007 1.00 13.40 H new ATOM 0 HB2 ASP A 69 -3.343 -17.055 -3.550 1.00 42.13 H new ATOM 0 HB3 ASP A 69 -2.831 -17.842 -2.070 1.00 42.13 H new ATOM 1055 N GLN A 70 -1.520 -16.107 -0.090 1.00 54.04 N ATOM 1056 CA GLN A 70 -1.082 -16.255 1.290 1.00 10.31 C ATOM 1057 C GLN A 70 -0.908 -14.889 1.942 1.00 70.43 C ATOM 1058 O GLN A 70 -1.284 -14.688 3.096 1.00 53.40 O ATOM 1059 CB GLN A 70 0.233 -17.036 1.349 1.00 34.42 C ATOM 1060 CG GLN A 70 0.798 -17.178 2.754 1.00 13.52 C ATOM 1061 CD GLN A 70 0.780 -18.611 3.250 1.00 0.40 C ATOM 1062 OE1 GLN A 70 1.783 -19.119 3.751 1.00 2.42 O ATOM 1063 NE2 GLN A 70 -0.364 -19.271 3.111 1.00 3.51 N ATOM 0 H GLN A 70 -0.777 -16.212 -0.781 1.00 54.04 H new ATOM 0 HA GLN A 70 -1.845 -16.809 1.837 1.00 10.31 H new ATOM 0 HB2 GLN A 70 0.074 -18.029 0.929 1.00 34.42 H new ATOM 0 HB3 GLN A 70 0.970 -16.537 0.719 1.00 34.42 H new ATOM 0 HG2 GLN A 70 1.822 -16.806 2.769 1.00 13.52 H new ATOM 0 HG3 GLN A 70 0.222 -16.554 3.438 1.00 13.52 H new ATOM 0 HE21 GLN A 70 -1.171 -18.810 2.690 1.00 3.51 H new ATOM 0 HE22 GLN A 70 -0.436 -20.239 3.425 1.00 3.51 H new ATOM 1072 N TYR A 71 -0.340 -13.948 1.192 1.00 44.22 N ATOM 1073 CA TYR A 71 -0.123 -12.599 1.699 1.00 65.04 C ATOM 1074 C TYR A 71 -1.443 -11.968 2.124 1.00 10.50 C ATOM 1075 O TYR A 71 -1.530 -11.327 3.171 1.00 54.15 O ATOM 1076 CB TYR A 71 0.562 -11.734 0.642 1.00 4.41 C ATOM 1077 CG TYR A 71 1.989 -12.147 0.362 1.00 4.32 C ATOM 1078 CD1 TYR A 71 2.719 -12.880 1.291 1.00 12.15 C ATOM 1079 CD2 TYR A 71 2.607 -11.804 -0.831 1.00 54.04 C ATOM 1080 CE1 TYR A 71 4.020 -13.258 1.040 1.00 2.25 C ATOM 1081 CE2 TYR A 71 3.910 -12.179 -1.090 1.00 22.43 C ATOM 1082 CZ TYR A 71 4.613 -12.906 -0.153 1.00 32.22 C ATOM 1083 OH TYR A 71 5.912 -13.281 -0.410 1.00 1.51 O ATOM 0 H TYR A 71 -0.023 -14.096 0.234 1.00 44.22 H new ATOM 0 HA TYR A 71 0.527 -12.662 2.571 1.00 65.04 H new ATOM 0 HB2 TYR A 71 -0.011 -11.783 -0.284 1.00 4.41 H new ATOM 0 HB3 TYR A 71 0.550 -10.695 0.970 1.00 4.41 H new ATOM 0 HD1 TYR A 71 2.258 -13.158 2.227 1.00 12.15 H new ATOM 0 HD2 TYR A 71 2.061 -11.235 -1.569 1.00 54.04 H new ATOM 0 HE1 TYR A 71 4.572 -13.827 1.774 1.00 2.25 H new ATOM 0 HE2 TYR A 71 4.377 -11.904 -2.024 1.00 22.43 H new ATOM 0 HH TYR A 71 6.178 -12.954 -1.295 1.00 1.51 H new ATOM 1093 N MET A 72 -2.475 -12.168 1.309 1.00 33.31 N ATOM 1094 CA MET A 72 -3.795 -11.633 1.609 1.00 43.45 C ATOM 1095 C MET A 72 -4.408 -12.385 2.784 1.00 22.22 C ATOM 1096 O MET A 72 -5.083 -11.798 3.630 1.00 40.21 O ATOM 1097 CB MET A 72 -4.711 -11.737 0.386 1.00 20.20 C ATOM 1098 CG MET A 72 -4.024 -11.396 -0.927 1.00 54.24 C ATOM 1099 SD MET A 72 -5.051 -10.376 -2.004 1.00 33.12 S ATOM 1100 CE MET A 72 -3.809 -9.645 -3.067 1.00 13.32 C ATOM 0 H MET A 72 -2.421 -12.696 0.438 1.00 33.31 H new ATOM 0 HA MET A 72 -3.689 -10.581 1.873 1.00 43.45 H new ATOM 0 HB2 MET A 72 -5.107 -12.751 0.325 1.00 20.20 H new ATOM 0 HB3 MET A 72 -5.562 -11.070 0.524 1.00 20.20 H new ATOM 0 HG2 MET A 72 -3.091 -10.873 -0.719 1.00 54.24 H new ATOM 0 HG3 MET A 72 -3.763 -12.318 -1.447 1.00 54.24 H new ATOM 0 HE1 MET A 72 -4.279 -8.919 -3.731 1.00 13.32 H new ATOM 0 HE2 MET A 72 -3.057 -9.145 -2.457 1.00 13.32 H new ATOM 0 HE3 MET A 72 -3.334 -10.425 -3.661 1.00 13.32 H new ATOM 1110 N ARG A 73 -4.154 -13.688 2.832 1.00 34.14 N ATOM 1111 CA ARG A 73 -4.665 -14.531 3.905 1.00 20.13 C ATOM 1112 C ARG A 73 -3.846 -14.348 5.181 1.00 1.32 C ATOM 1113 O ARG A 73 -4.270 -14.749 6.265 1.00 55.21 O ATOM 1114 CB ARG A 73 -4.650 -15.995 3.476 1.00 22.24 C ATOM 1115 CG ARG A 73 -5.733 -16.331 2.466 1.00 64.02 C ATOM 1116 CD ARG A 73 -5.697 -17.796 2.083 1.00 65.24 C ATOM 1117 NE ARG A 73 -6.085 -18.664 3.192 1.00 24.42 N ATOM 1118 CZ ARG A 73 -6.293 -19.973 3.071 1.00 24.43 C ATOM 1119 NH1 ARG A 73 -6.154 -20.568 1.892 1.00 34.22 N ATOM 1120 NH2 ARG A 73 -6.641 -20.689 4.131 1.00 21.44 N ATOM 0 H ARG A 73 -3.595 -14.184 2.138 1.00 34.14 H new ATOM 0 HA ARG A 73 -5.692 -14.232 4.114 1.00 20.13 H new ATOM 0 HB2 ARG A 73 -3.676 -16.232 3.048 1.00 22.24 H new ATOM 0 HB3 ARG A 73 -4.773 -16.626 4.356 1.00 22.24 H new ATOM 0 HG2 ARG A 73 -6.710 -16.086 2.883 1.00 64.02 H new ATOM 0 HG3 ARG A 73 -5.604 -15.717 1.575 1.00 64.02 H new ATOM 0 HD2 ARG A 73 -6.366 -17.966 1.239 1.00 65.24 H new ATOM 0 HD3 ARG A 73 -4.692 -18.059 1.752 1.00 65.24 H new ATOM 0 HE ARG A 73 -6.203 -18.242 4.113 1.00 24.42 H new ATOM 0 HH11 ARG A 73 -5.887 -20.022 1.073 1.00 34.22 H new ATOM 0 HH12 ARG A 73 -6.315 -21.572 1.805 1.00 34.22 H new ATOM 0 HH21 ARG A 73 -6.749 -20.237 5.039 1.00 21.44 H new ATOM 0 HH22 ARG A 73 -6.801 -21.692 4.039 1.00 21.44 H new ATOM 1134 N THR A 74 -2.674 -13.728 5.047 1.00 30.22 N ATOM 1135 CA THR A 74 -1.801 -13.480 6.188 1.00 20.33 C ATOM 1136 C THR A 74 -1.970 -12.048 6.687 1.00 40.12 C ATOM 1137 O THR A 74 -1.647 -11.738 7.834 1.00 22.31 O ATOM 1138 CB THR A 74 -0.337 -13.717 5.808 1.00 10.30 C ATOM 1139 OG1 THR A 74 0.024 -12.924 4.693 1.00 52.51 O ATOM 1140 CG2 THR A 74 -0.021 -15.158 5.466 1.00 35.43 C ATOM 0 H THR A 74 -2.309 -13.389 4.157 1.00 30.22 H new ATOM 0 HA THR A 74 -2.079 -14.173 6.982 1.00 20.33 H new ATOM 0 HB THR A 74 0.234 -13.443 6.695 1.00 10.30 H new ATOM 0 HG1 THR A 74 -0.692 -12.283 4.502 1.00 52.51 H new ATOM 0 HG21 THR A 74 1.034 -15.248 5.207 1.00 35.43 H new ATOM 0 HG22 THR A 74 -0.239 -15.792 6.325 1.00 35.43 H new ATOM 0 HG23 THR A 74 -0.630 -15.473 4.619 1.00 35.43 H new ATOM 1148 N GLY A 75 -2.466 -11.177 5.811 1.00 60.35 N ATOM 1149 CA GLY A 75 -2.656 -9.789 6.174 1.00 33.34 C ATOM 1150 C GLY A 75 -4.083 -9.469 6.570 1.00 61.33 C ATOM 1151 O GLY A 75 -5.014 -10.191 6.211 1.00 51.21 O ATOM 0 H GLY A 75 -2.739 -11.411 4.857 1.00 60.35 H new ATOM 0 HA2 GLY A 75 -1.991 -9.542 7.002 1.00 33.34 H new ATOM 0 HA3 GLY A 75 -2.368 -9.157 5.334 1.00 33.34 H new ATOM 1155 N GLU A 76 -4.253 -8.376 7.307 1.00 31.24 N ATOM 1156 CA GLU A 76 -5.574 -7.947 7.751 1.00 32.23 C ATOM 1157 C GLU A 76 -6.087 -6.790 6.895 1.00 34.31 C ATOM 1158 O GLU A 76 -7.278 -6.483 6.902 1.00 21.35 O ATOM 1159 CB GLU A 76 -5.530 -7.527 9.222 1.00 2.25 C ATOM 1160 CG GLU A 76 -5.096 -8.642 10.159 1.00 25.13 C ATOM 1161 CD GLU A 76 -6.267 -9.318 10.844 1.00 21.35 C ATOM 1162 OE1 GLU A 76 -6.826 -10.271 10.261 1.00 31.13 O ATOM 1163 OE2 GLU A 76 -6.626 -8.896 11.963 1.00 22.13 O ATOM 0 H GLU A 76 -3.490 -7.770 7.610 1.00 31.24 H new ATOM 0 HA GLU A 76 -6.258 -8.789 7.641 1.00 32.23 H new ATOM 0 HB2 GLU A 76 -4.846 -6.685 9.331 1.00 2.25 H new ATOM 0 HB3 GLU A 76 -6.518 -7.176 9.521 1.00 2.25 H new ATOM 0 HG2 GLU A 76 -4.531 -9.385 9.596 1.00 25.13 H new ATOM 0 HG3 GLU A 76 -4.424 -8.235 10.914 1.00 25.13 H new ATOM 1170 N GLY A 77 -5.179 -6.154 6.156 1.00 32.32 N ATOM 1171 CA GLY A 77 -5.555 -5.041 5.303 1.00 10.11 C ATOM 1172 C GLY A 77 -4.659 -4.926 4.085 1.00 11.11 C ATOM 1173 O GLY A 77 -3.609 -5.564 4.019 1.00 1.15 O ATOM 0 H GLY A 77 -4.187 -6.392 6.134 1.00 32.32 H new ATOM 0 HA2 GLY A 77 -6.589 -5.165 4.981 1.00 10.11 H new ATOM 0 HA3 GLY A 77 -5.508 -4.115 5.875 1.00 10.11 H new ATOM 1177 N PHE A 78 -5.074 -4.117 3.114 1.00 14.31 N ATOM 1178 CA PHE A 78 -4.295 -3.933 1.893 1.00 55.44 C ATOM 1179 C PHE A 78 -4.238 -2.462 1.493 1.00 65.24 C ATOM 1180 O PHE A 78 -5.176 -1.705 1.737 1.00 1.11 O ATOM 1181 CB PHE A 78 -4.891 -4.763 0.754 1.00 52.23 C ATOM 1182 CG PHE A 78 -5.137 -6.197 1.126 1.00 32.24 C ATOM 1183 CD1 PHE A 78 -6.108 -6.528 2.057 1.00 63.42 C ATOM 1184 CD2 PHE A 78 -4.393 -7.214 0.550 1.00 54.44 C ATOM 1185 CE1 PHE A 78 -6.332 -7.845 2.408 1.00 3.41 C ATOM 1186 CE2 PHE A 78 -4.613 -8.533 0.895 1.00 24.21 C ATOM 1187 CZ PHE A 78 -5.583 -8.850 1.827 1.00 72.02 C ATOM 0 H PHE A 78 -5.941 -3.581 3.148 1.00 14.31 H new ATOM 0 HA PHE A 78 -3.278 -4.273 2.089 1.00 55.44 H new ATOM 0 HB2 PHE A 78 -5.831 -4.311 0.438 1.00 52.23 H new ATOM 0 HB3 PHE A 78 -4.217 -4.728 -0.102 1.00 52.23 H new ATOM 0 HD1 PHE A 78 -6.697 -5.747 2.514 1.00 63.42 H new ATOM 0 HD2 PHE A 78 -3.632 -6.972 -0.177 1.00 54.44 H new ATOM 0 HE1 PHE A 78 -7.092 -8.089 3.136 1.00 3.41 H new ATOM 0 HE2 PHE A 78 -4.027 -9.316 0.437 1.00 24.21 H new ATOM 0 HZ PHE A 78 -5.755 -9.881 2.100 1.00 72.02 H new ATOM 1197 N LEU A 79 -3.128 -2.066 0.878 1.00 15.13 N ATOM 1198 CA LEU A 79 -2.945 -0.686 0.444 1.00 63.41 C ATOM 1199 C LEU A 79 -2.677 -0.619 -1.057 1.00 61.43 C ATOM 1200 O LEU A 79 -1.663 -1.124 -1.539 1.00 62.23 O ATOM 1201 CB LEU A 79 -1.788 -0.039 1.211 1.00 42.15 C ATOM 1202 CG LEU A 79 -1.953 1.459 1.491 1.00 32.32 C ATOM 1203 CD1 LEU A 79 -2.199 1.704 2.972 1.00 15.33 C ATOM 1204 CD2 LEU A 79 -0.729 2.230 1.019 1.00 61.22 C ATOM 0 H LEU A 79 -2.342 -2.681 0.669 1.00 15.13 H new ATOM 0 HA LEU A 79 -3.864 -0.139 0.655 1.00 63.41 H new ATOM 0 HB2 LEU A 79 -1.666 -0.559 2.161 1.00 42.15 H new ATOM 0 HB3 LEU A 79 -0.868 -0.188 0.645 1.00 42.15 H new ATOM 0 HG LEU A 79 -2.820 1.817 0.936 1.00 32.32 H new ATOM 0 HD11 LEU A 79 -2.313 2.773 3.150 1.00 15.33 H new ATOM 0 HD12 LEU A 79 -3.107 1.186 3.281 1.00 15.33 H new ATOM 0 HD13 LEU A 79 -1.353 1.329 3.548 1.00 15.33 H new ATOM 0 HD21 LEU A 79 -0.865 3.291 1.226 1.00 61.22 H new ATOM 0 HD22 LEU A 79 0.154 1.868 1.545 1.00 61.22 H new ATOM 0 HD23 LEU A 79 -0.598 2.084 -0.053 1.00 61.22 H new ATOM 1216 N CYS A 80 -3.592 0.008 -1.790 1.00 23.14 N ATOM 1217 CA CYS A 80 -3.453 0.140 -3.236 1.00 71.12 C ATOM 1218 C CYS A 80 -2.718 1.426 -3.598 1.00 75.32 C ATOM 1219 O CYS A 80 -3.288 2.516 -3.540 1.00 40.23 O ATOM 1220 CB CYS A 80 -4.827 0.120 -3.907 1.00 41.54 C ATOM 1221 SG CYS A 80 -5.868 -1.275 -3.418 1.00 64.13 S ATOM 0 H CYS A 80 -4.437 0.432 -1.407 1.00 23.14 H new ATOM 0 HA CYS A 80 -2.868 -0.706 -3.596 1.00 71.12 H new ATOM 0 HB2 CYS A 80 -5.348 1.048 -3.671 1.00 41.54 H new ATOM 0 HB3 CYS A 80 -4.691 0.096 -4.988 1.00 41.54 H new ATOM 0 HG CYS A 80 -7.009 -1.203 -4.036 1.00 64.13 H new ATOM 1227 N VAL A 81 -1.450 1.291 -3.972 1.00 13.54 N ATOM 1228 CA VAL A 81 -0.638 2.443 -4.345 1.00 44.51 C ATOM 1229 C VAL A 81 -0.231 2.372 -5.814 1.00 61.52 C ATOM 1230 O VAL A 81 0.189 1.324 -6.303 1.00 62.54 O ATOM 1231 CB VAL A 81 0.627 2.547 -3.470 1.00 10.15 C ATOM 1232 CG1 VAL A 81 1.477 1.293 -3.600 1.00 3.02 C ATOM 1233 CG2 VAL A 81 1.432 3.785 -3.835 1.00 42.22 C ATOM 0 H VAL A 81 -0.963 0.396 -4.025 1.00 13.54 H new ATOM 0 HA VAL A 81 -1.250 3.331 -4.184 1.00 44.51 H new ATOM 0 HB VAL A 81 0.315 2.638 -2.430 1.00 10.15 H new ATOM 0 HG11 VAL A 81 2.364 1.388 -2.974 1.00 3.02 H new ATOM 0 HG12 VAL A 81 0.898 0.426 -3.280 1.00 3.02 H new ATOM 0 HG13 VAL A 81 1.778 1.164 -4.640 1.00 3.02 H new ATOM 0 HG21 VAL A 81 2.321 3.840 -3.206 1.00 42.22 H new ATOM 0 HG22 VAL A 81 1.731 3.729 -4.882 1.00 42.22 H new ATOM 0 HG23 VAL A 81 0.822 4.675 -3.679 1.00 42.22 H new ATOM 1243 N PHE A 82 -0.359 3.496 -6.511 1.00 5.40 N ATOM 1244 CA PHE A 82 -0.005 3.564 -7.923 1.00 60.33 C ATOM 1245 C PHE A 82 0.523 4.950 -8.283 1.00 11.54 C ATOM 1246 O PHE A 82 0.185 5.941 -7.635 1.00 30.54 O ATOM 1247 CB PHE A 82 -1.217 3.222 -8.793 1.00 1.11 C ATOM 1248 CG PHE A 82 -2.319 4.242 -8.723 1.00 41.23 C ATOM 1249 CD1 PHE A 82 -2.999 4.466 -7.536 1.00 5.14 C ATOM 1250 CD2 PHE A 82 -2.673 4.976 -9.843 1.00 52.04 C ATOM 1251 CE1 PHE A 82 -4.011 5.404 -7.469 1.00 12.11 C ATOM 1252 CE2 PHE A 82 -3.685 5.915 -9.782 1.00 15.53 C ATOM 1253 CZ PHE A 82 -4.355 6.130 -8.593 1.00 52.44 C ATOM 0 H PHE A 82 -0.705 4.372 -6.120 1.00 5.40 H new ATOM 0 HA PHE A 82 0.783 2.834 -8.111 1.00 60.33 H new ATOM 0 HB2 PHE A 82 -0.893 3.121 -9.829 1.00 1.11 H new ATOM 0 HB3 PHE A 82 -1.611 2.253 -8.487 1.00 1.11 H new ATOM 0 HD1 PHE A 82 -2.735 3.901 -6.654 1.00 5.14 H new ATOM 0 HD2 PHE A 82 -2.152 4.813 -10.775 1.00 52.04 H new ATOM 0 HE1 PHE A 82 -4.533 5.570 -6.538 1.00 12.11 H new ATOM 0 HE2 PHE A 82 -3.952 6.480 -10.663 1.00 15.53 H new ATOM 0 HZ PHE A 82 -5.146 6.864 -8.542 1.00 52.44 H new ATOM 1263 N ALA A 83 1.352 5.012 -9.318 1.00 21.32 N ATOM 1264 CA ALA A 83 1.925 6.276 -9.761 1.00 63.30 C ATOM 1265 C ALA A 83 1.044 6.940 -10.814 1.00 21.13 C ATOM 1266 O ALA A 83 0.717 6.336 -11.836 1.00 63.52 O ATOM 1267 CB ALA A 83 3.327 6.057 -10.306 1.00 55.11 C ATOM 0 H ALA A 83 1.642 4.202 -9.866 1.00 21.32 H new ATOM 0 HA ALA A 83 1.981 6.942 -8.900 1.00 63.30 H new ATOM 0 HB1 ALA A 83 3.743 7.010 -10.633 1.00 55.11 H new ATOM 0 HB2 ALA A 83 3.959 5.634 -9.525 1.00 55.11 H new ATOM 0 HB3 ALA A 83 3.286 5.370 -11.151 1.00 55.11 H new ATOM 1273 N ILE A 84 0.661 8.187 -10.557 1.00 0.31 N ATOM 1274 CA ILE A 84 -0.183 8.933 -11.483 1.00 5.25 C ATOM 1275 C ILE A 84 0.508 9.123 -12.830 1.00 22.53 C ATOM 1276 O ILE A 84 -0.151 9.250 -13.862 1.00 71.53 O ATOM 1277 CB ILE A 84 -0.560 10.313 -10.912 1.00 43.33 C ATOM 1278 CG1 ILE A 84 0.683 11.032 -10.388 1.00 21.24 C ATOM 1279 CG2 ILE A 84 -1.594 10.164 -9.808 1.00 22.24 C ATOM 1280 CD1 ILE A 84 0.583 12.540 -10.458 1.00 31.22 C ATOM 0 H ILE A 84 0.922 8.701 -9.716 1.00 0.31 H new ATOM 0 HA ILE A 84 -1.091 8.346 -11.625 1.00 5.25 H new ATOM 0 HB ILE A 84 -0.993 10.913 -11.712 1.00 43.33 H new ATOM 0 HG12 ILE A 84 0.856 10.735 -9.354 1.00 21.24 H new ATOM 0 HG13 ILE A 84 1.550 10.706 -10.962 1.00 21.24 H new ATOM 0 HG21 ILE A 84 -1.850 11.148 -9.414 1.00 22.24 H new ATOM 0 HG22 ILE A 84 -2.489 9.689 -10.210 1.00 22.24 H new ATOM 0 HG23 ILE A 84 -1.185 9.548 -9.007 1.00 22.24 H new ATOM 0 HD11 ILE A 84 1.500 12.984 -10.070 1.00 31.22 H new ATOM 0 HD12 ILE A 84 0.441 12.848 -11.494 1.00 31.22 H new ATOM 0 HD13 ILE A 84 -0.264 12.877 -9.860 1.00 31.22 H new ATOM 1292 N ASN A 85 1.837 9.141 -12.814 1.00 74.42 N ATOM 1293 CA ASN A 85 2.611 9.315 -14.038 1.00 3.11 C ATOM 1294 C ASN A 85 2.531 8.067 -14.918 1.00 63.22 C ATOM 1295 O ASN A 85 2.727 8.138 -16.131 1.00 25.10 O ATOM 1296 CB ASN A 85 4.072 9.644 -13.703 1.00 30.33 C ATOM 1297 CG ASN A 85 4.895 8.414 -13.368 1.00 24.33 C ATOM 1298 OD1 ASN A 85 4.725 7.808 -12.311 1.00 53.14 O ATOM 1299 ND2 ASN A 85 5.792 8.040 -14.272 1.00 62.13 N ATOM 0 H ASN A 85 2.399 9.038 -11.969 1.00 74.42 H new ATOM 0 HA ASN A 85 2.184 10.149 -14.595 1.00 3.11 H new ATOM 0 HB2 ASN A 85 4.526 10.159 -14.550 1.00 30.33 H new ATOM 0 HB3 ASN A 85 4.099 10.333 -12.859 1.00 30.33 H new ATOM 0 HD21 ASN A 85 6.374 7.220 -14.104 1.00 62.13 H new ATOM 0 HD22 ASN A 85 5.899 8.573 -15.135 1.00 62.13 H new ATOM 1306 N ASN A 86 2.243 6.926 -14.298 1.00 75.43 N ATOM 1307 CA ASN A 86 2.138 5.666 -15.024 1.00 55.03 C ATOM 1308 C ASN A 86 0.703 5.147 -15.007 1.00 33.35 C ATOM 1309 O ASN A 86 0.139 4.888 -13.944 1.00 55.13 O ATOM 1310 CB ASN A 86 3.079 4.624 -14.416 1.00 24.21 C ATOM 1311 CG ASN A 86 3.773 3.786 -15.472 1.00 61.04 C ATOM 1312 OD1 ASN A 86 4.322 4.315 -16.439 1.00 63.03 O ATOM 1313 ND2 ASN A 86 3.751 2.471 -15.292 1.00 31.52 N ATOM 0 H ASN A 86 2.078 6.849 -13.294 1.00 75.43 H new ATOM 0 HA ASN A 86 2.427 5.845 -16.059 1.00 55.03 H new ATOM 0 HB2 ASN A 86 3.828 5.128 -13.805 1.00 24.21 H new ATOM 0 HB3 ASN A 86 2.513 3.971 -13.752 1.00 24.21 H new ATOM 0 HD21 ASN A 86 4.201 1.856 -15.970 1.00 31.52 H new ATOM 0 HD22 ASN A 86 3.284 2.076 -14.476 1.00 31.52 H new ATOM 1320 N THR A 87 0.118 4.999 -16.191 1.00 25.24 N ATOM 1321 CA THR A 87 -1.252 4.512 -16.311 1.00 72.02 C ATOM 1322 C THR A 87 -1.344 3.042 -15.914 1.00 71.14 C ATOM 1323 O THR A 87 -2.352 2.601 -15.360 1.00 1.44 O ATOM 1324 CB THR A 87 -1.758 4.698 -17.742 1.00 74.14 C ATOM 1325 OG1 THR A 87 -1.421 5.985 -18.229 1.00 34.31 O ATOM 1326 CG2 THR A 87 -3.257 4.535 -17.872 1.00 13.51 C ATOM 0 H THR A 87 0.571 5.209 -17.081 1.00 25.24 H new ATOM 0 HA THR A 87 -1.878 5.093 -15.633 1.00 72.02 H new ATOM 0 HB THR A 87 -1.272 3.916 -18.325 1.00 74.14 H new ATOM 0 HG1 THR A 87 -1.752 6.085 -19.146 1.00 34.31 H new ATOM 0 HG21 THR A 87 -3.550 4.679 -18.912 1.00 13.51 H new ATOM 0 HG22 THR A 87 -3.543 3.534 -17.550 1.00 13.51 H new ATOM 0 HG23 THR A 87 -3.759 5.274 -17.248 1.00 13.51 H new ATOM 1334 N LYS A 88 -0.287 2.287 -16.199 1.00 40.11 N ATOM 1335 CA LYS A 88 -0.250 0.866 -15.870 1.00 63.41 C ATOM 1336 C LYS A 88 -0.487 0.646 -14.380 1.00 54.01 C ATOM 1337 O LYS A 88 -1.248 -0.237 -13.984 1.00 22.33 O ATOM 1338 CB LYS A 88 1.094 0.261 -16.280 1.00 74.33 C ATOM 1339 CG LYS A 88 1.288 0.168 -17.785 1.00 21.33 C ATOM 1340 CD LYS A 88 2.271 -0.932 -18.154 1.00 24.41 C ATOM 1341 CE LYS A 88 1.559 -2.152 -18.716 1.00 23.30 C ATOM 1342 NZ LYS A 88 2.372 -3.390 -18.562 1.00 32.23 N ATOM 0 H LYS A 88 0.555 2.636 -16.657 1.00 40.11 H new ATOM 0 HA LYS A 88 -1.048 0.370 -16.423 1.00 63.41 H new ATOM 0 HB2 LYS A 88 1.898 0.862 -15.855 1.00 74.33 H new ATOM 0 HB3 LYS A 88 1.180 -0.736 -15.849 1.00 74.33 H new ATOM 0 HG2 LYS A 88 0.329 -0.024 -18.265 1.00 21.33 H new ATOM 0 HG3 LYS A 88 1.650 1.123 -18.166 1.00 21.33 H new ATOM 0 HD2 LYS A 88 2.982 -0.554 -18.889 1.00 24.41 H new ATOM 0 HD3 LYS A 88 2.845 -1.219 -17.273 1.00 24.41 H new ATOM 0 HE2 LYS A 88 0.603 -2.280 -18.208 1.00 23.30 H new ATOM 0 HE3 LYS A 88 1.340 -1.990 -19.772 1.00 23.30 H new ATOM 0 HZ1 LYS A 88 1.851 -4.199 -18.958 1.00 32.23 H new ATOM 0 HZ2 LYS A 88 3.274 -3.278 -19.068 1.00 32.23 H new ATOM 0 HZ3 LYS A 88 2.559 -3.559 -17.553 1.00 32.23 H new ATOM 1356 N SER A 89 0.170 1.457 -13.558 1.00 72.22 N ATOM 1357 CA SER A 89 0.033 1.355 -12.110 1.00 72.51 C ATOM 1358 C SER A 89 -1.417 1.559 -11.685 1.00 4.44 C ATOM 1359 O SER A 89 -1.903 0.903 -10.764 1.00 12.42 O ATOM 1360 CB SER A 89 0.928 2.387 -11.421 1.00 64.44 C ATOM 1361 OG SER A 89 0.570 3.706 -11.797 1.00 24.31 O ATOM 0 H SER A 89 0.803 2.193 -13.870 1.00 72.22 H new ATOM 0 HA SER A 89 0.343 0.354 -11.809 1.00 72.51 H new ATOM 0 HB2 SER A 89 0.846 2.279 -10.339 1.00 64.44 H new ATOM 0 HB3 SER A 89 1.970 2.201 -11.682 1.00 64.44 H new ATOM 0 HG SER A 89 0.251 3.707 -12.724 1.00 24.31 H new ATOM 1367 N PHE A 90 -2.102 2.472 -12.364 1.00 51.14 N ATOM 1368 CA PHE A 90 -3.497 2.765 -12.060 1.00 5.11 C ATOM 1369 C PHE A 90 -4.392 1.583 -12.422 1.00 72.34 C ATOM 1370 O PHE A 90 -5.364 1.290 -11.725 1.00 33.44 O ATOM 1371 CB PHE A 90 -3.951 4.020 -12.813 1.00 24.52 C ATOM 1372 CG PHE A 90 -5.416 4.317 -12.664 1.00 52.52 C ATOM 1373 CD1 PHE A 90 -6.002 4.369 -11.409 1.00 10.02 C ATOM 1374 CD2 PHE A 90 -6.207 4.541 -13.779 1.00 35.32 C ATOM 1375 CE1 PHE A 90 -7.350 4.640 -11.270 1.00 70.34 C ATOM 1376 CE2 PHE A 90 -7.556 4.811 -13.646 1.00 1.33 C ATOM 1377 CZ PHE A 90 -8.128 4.861 -12.390 1.00 44.31 C ATOM 0 H PHE A 90 -1.713 3.023 -13.130 1.00 51.14 H new ATOM 0 HA PHE A 90 -3.582 2.944 -10.988 1.00 5.11 H new ATOM 0 HB2 PHE A 90 -3.378 4.875 -12.455 1.00 24.52 H new ATOM 0 HB3 PHE A 90 -3.719 3.902 -13.871 1.00 24.52 H new ATOM 0 HD1 PHE A 90 -5.399 4.196 -10.530 1.00 10.02 H new ATOM 0 HD2 PHE A 90 -5.765 4.504 -14.764 1.00 35.32 H new ATOM 0 HE1 PHE A 90 -7.795 4.679 -10.287 1.00 70.34 H new ATOM 0 HE2 PHE A 90 -8.162 4.983 -14.523 1.00 1.33 H new ATOM 0 HZ PHE A 90 -9.182 5.073 -12.284 1.00 44.31 H new ATOM 1387 N GLU A 91 -4.059 0.909 -13.518 1.00 22.33 N ATOM 1388 CA GLU A 91 -4.833 -0.240 -13.974 1.00 53.45 C ATOM 1389 C GLU A 91 -4.672 -1.424 -13.023 1.00 41.43 C ATOM 1390 O GLU A 91 -5.558 -2.272 -12.919 1.00 35.41 O ATOM 1391 CB GLU A 91 -4.401 -0.644 -15.386 1.00 34.22 C ATOM 1392 CG GLU A 91 -4.449 0.501 -16.386 1.00 42.41 C ATOM 1393 CD GLU A 91 -5.274 0.170 -17.615 1.00 12.45 C ATOM 1394 OE1 GLU A 91 -4.702 -0.368 -18.586 1.00 4.31 O ATOM 1395 OE2 GLU A 91 -6.491 0.448 -17.605 1.00 11.52 O ATOM 0 H GLU A 91 -3.258 1.139 -14.107 1.00 22.33 H new ATOM 0 HA GLU A 91 -5.884 0.048 -13.989 1.00 53.45 H new ATOM 0 HB2 GLU A 91 -3.386 -1.040 -15.348 1.00 34.22 H new ATOM 0 HB3 GLU A 91 -5.045 -1.450 -15.738 1.00 34.22 H new ATOM 0 HG2 GLU A 91 -4.865 1.384 -15.901 1.00 42.41 H new ATOM 0 HG3 GLU A 91 -3.434 0.754 -16.692 1.00 42.41 H new ATOM 1402 N ASP A 92 -3.537 -1.477 -12.333 1.00 2.41 N ATOM 1403 CA ASP A 92 -3.265 -2.559 -11.394 1.00 21.04 C ATOM 1404 C ASP A 92 -4.170 -2.461 -10.169 1.00 3.24 C ATOM 1405 O ASP A 92 -4.621 -3.475 -9.637 1.00 65.41 O ATOM 1406 CB ASP A 92 -1.795 -2.532 -10.966 1.00 45.20 C ATOM 1407 CG ASP A 92 -1.076 -3.829 -11.284 1.00 64.45 C ATOM 1408 OD1 ASP A 92 -1.287 -4.369 -12.391 1.00 20.02 O ATOM 1409 OD2 ASP A 92 -0.301 -4.304 -10.428 1.00 35.23 O ATOM 0 H ASP A 92 -2.792 -0.784 -12.406 1.00 2.41 H new ATOM 0 HA ASP A 92 -3.472 -3.504 -11.897 1.00 21.04 H new ATOM 0 HB2 ASP A 92 -1.289 -1.707 -11.467 1.00 45.20 H new ATOM 0 HB3 ASP A 92 -1.735 -2.340 -9.895 1.00 45.20 H new ATOM 1414 N ILE A 93 -4.432 -1.236 -9.727 1.00 20.51 N ATOM 1415 CA ILE A 93 -5.285 -1.012 -8.565 1.00 13.11 C ATOM 1416 C ILE A 93 -6.683 -1.580 -8.794 1.00 62.53 C ATOM 1417 O ILE A 93 -7.375 -1.952 -7.847 1.00 2.44 O ATOM 1418 CB ILE A 93 -5.397 0.489 -8.228 1.00 72.21 C ATOM 1419 CG1 ILE A 93 -4.013 1.113 -8.066 1.00 74.22 C ATOM 1420 CG2 ILE A 93 -6.210 0.696 -6.963 1.00 53.31 C ATOM 1421 CD1 ILE A 93 -3.089 0.327 -7.159 1.00 4.33 C ATOM 0 H ILE A 93 -4.067 -0.385 -10.154 1.00 20.51 H new ATOM 0 HA ILE A 93 -4.819 -1.528 -7.725 1.00 13.11 H new ATOM 0 HB ILE A 93 -5.907 0.981 -9.057 1.00 72.21 H new ATOM 0 HG12 ILE A 93 -3.550 1.206 -9.048 1.00 74.22 H new ATOM 0 HG13 ILE A 93 -4.124 2.122 -7.669 1.00 74.22 H new ATOM 0 HG21 ILE A 93 -6.277 1.762 -6.744 1.00 53.31 H new ATOM 0 HG22 ILE A 93 -7.212 0.291 -7.104 1.00 53.31 H new ATOM 0 HG23 ILE A 93 -5.726 0.184 -6.131 1.00 53.31 H new ATOM 0 HD11 ILE A 93 -2.126 0.833 -7.094 1.00 4.33 H new ATOM 0 HD12 ILE A 93 -3.529 0.256 -6.164 1.00 4.33 H new ATOM 0 HD13 ILE A 93 -2.946 -0.674 -7.565 1.00 4.33 H new ATOM 1433 N HIS A 94 -7.093 -1.644 -10.057 1.00 13.34 N ATOM 1434 CA HIS A 94 -8.408 -2.167 -10.407 1.00 34.42 C ATOM 1435 C HIS A 94 -8.433 -3.689 -10.294 1.00 52.41 C ATOM 1436 O HIS A 94 -9.265 -4.256 -9.585 1.00 14.31 O ATOM 1437 CB HIS A 94 -8.788 -1.733 -11.827 1.00 33.30 C ATOM 1438 CG HIS A 94 -9.973 -2.459 -12.389 1.00 52.22 C ATOM 1439 ND1 HIS A 94 -11.257 -2.286 -11.917 1.00 43.50 N ATOM 1440 CD2 HIS A 94 -10.061 -3.366 -13.391 1.00 62.20 C ATOM 1441 CE1 HIS A 94 -12.084 -3.057 -12.602 1.00 53.50 C ATOM 1442 NE2 HIS A 94 -11.383 -3.721 -13.503 1.00 44.32 N ATOM 0 H HIS A 94 -6.534 -1.340 -10.854 1.00 13.34 H new ATOM 0 HA HIS A 94 -9.138 -1.761 -9.706 1.00 34.42 H new ATOM 0 HB2 HIS A 94 -8.997 -0.663 -11.825 1.00 33.30 H new ATOM 0 HB3 HIS A 94 -7.933 -1.890 -12.485 1.00 33.30 H new ATOM 0 HD2 HIS A 94 -9.244 -3.740 -13.990 1.00 62.20 H new ATOM 0 HE1 HIS A 94 -13.151 -3.131 -12.451 1.00 53.50 H new ATOM 0 HE2 HIS A 94 -11.762 -4.389 -14.174 1.00 44.32 H new ATOM 1451 N GLN A 95 -7.516 -4.345 -10.997 1.00 35.52 N ATOM 1452 CA GLN A 95 -7.433 -5.801 -10.976 1.00 61.32 C ATOM 1453 C GLN A 95 -7.030 -6.304 -9.593 1.00 51.12 C ATOM 1454 O GLN A 95 -7.380 -7.416 -9.201 1.00 71.24 O ATOM 1455 CB GLN A 95 -6.433 -6.294 -12.024 1.00 2.11 C ATOM 1456 CG GLN A 95 -5.041 -5.706 -11.866 1.00 42.54 C ATOM 1457 CD GLN A 95 -4.118 -6.601 -11.062 1.00 44.44 C ATOM 1458 OE1 GLN A 95 -4.065 -7.812 -11.278 1.00 61.25 O ATOM 1459 NE2 GLN A 95 -3.386 -6.008 -10.126 1.00 2.20 N ATOM 0 H GLN A 95 -6.820 -3.892 -11.589 1.00 35.52 H new ATOM 0 HA GLN A 95 -8.420 -6.198 -11.213 1.00 61.32 H new ATOM 0 HB2 GLN A 95 -6.367 -7.381 -11.967 1.00 2.11 H new ATOM 0 HB3 GLN A 95 -6.811 -6.049 -13.017 1.00 2.11 H new ATOM 0 HG2 GLN A 95 -4.608 -5.536 -12.852 1.00 42.54 H new ATOM 0 HG3 GLN A 95 -5.114 -4.734 -11.378 1.00 42.54 H new ATOM 0 HE21 GLN A 95 -3.462 -5.001 -9.981 1.00 2.20 H new ATOM 0 HE22 GLN A 95 -2.748 -6.559 -9.552 1.00 2.20 H new ATOM 1468 N TYR A 96 -6.292 -5.477 -8.858 1.00 31.21 N ATOM 1469 CA TYR A 96 -5.842 -5.839 -7.518 1.00 33.33 C ATOM 1470 C TYR A 96 -7.026 -6.166 -6.614 1.00 51.53 C ATOM 1471 O TYR A 96 -7.019 -7.171 -5.904 1.00 21.03 O ATOM 1472 CB TYR A 96 -5.023 -4.700 -6.909 1.00 64.30 C ATOM 1473 CG TYR A 96 -3.537 -4.827 -7.155 1.00 21.43 C ATOM 1474 CD1 TYR A 96 -2.875 -6.027 -6.924 1.00 52.51 C ATOM 1475 CD2 TYR A 96 -2.796 -3.748 -7.618 1.00 31.31 C ATOM 1476 CE1 TYR A 96 -1.517 -6.147 -7.148 1.00 75.12 C ATOM 1477 CE2 TYR A 96 -1.439 -3.860 -7.845 1.00 53.40 C ATOM 1478 CZ TYR A 96 -0.804 -5.061 -7.608 1.00 24.10 C ATOM 1479 OH TYR A 96 0.549 -5.176 -7.833 1.00 61.34 O ATOM 0 H TYR A 96 -5.993 -4.552 -9.168 1.00 31.21 H new ATOM 0 HA TYR A 96 -5.215 -6.727 -7.601 1.00 33.33 H new ATOM 0 HB2 TYR A 96 -5.372 -3.753 -7.320 1.00 64.30 H new ATOM 0 HB3 TYR A 96 -5.204 -4.667 -5.835 1.00 64.30 H new ATOM 0 HD1 TYR A 96 -3.431 -6.880 -6.563 1.00 52.51 H new ATOM 0 HD2 TYR A 96 -3.289 -2.805 -7.804 1.00 31.31 H new ATOM 0 HE1 TYR A 96 -1.017 -7.086 -6.964 1.00 75.12 H new ATOM 0 HE2 TYR A 96 -0.877 -3.011 -8.206 1.00 53.40 H new ATOM 0 HH TYR A 96 0.761 -6.098 -8.088 1.00 61.34 H new ATOM 1489 N ARG A 97 -8.043 -5.310 -6.646 1.00 3.41 N ATOM 1490 CA ARG A 97 -9.235 -5.508 -5.829 1.00 33.21 C ATOM 1491 C ARG A 97 -9.863 -6.871 -6.103 1.00 71.43 C ATOM 1492 O ARG A 97 -10.417 -7.502 -5.203 1.00 44.41 O ATOM 1493 CB ARG A 97 -10.254 -4.400 -6.102 1.00 44.35 C ATOM 1494 CG ARG A 97 -11.519 -4.515 -5.266 1.00 24.24 C ATOM 1495 CD ARG A 97 -11.402 -3.737 -3.964 1.00 50.41 C ATOM 1496 NE ARG A 97 -12.556 -2.870 -3.739 1.00 44.43 N ATOM 1497 CZ ARG A 97 -13.746 -3.310 -3.338 1.00 15.01 C ATOM 1498 NH1 ARG A 97 -13.944 -4.603 -3.116 1.00 62.02 N ATOM 1499 NH2 ARG A 97 -14.742 -2.453 -3.158 1.00 61.11 N ATOM 0 H ARG A 97 -8.065 -4.473 -7.229 1.00 3.41 H new ATOM 0 HA ARG A 97 -8.938 -5.470 -4.781 1.00 33.21 H new ATOM 0 HB2 ARG A 97 -9.788 -3.434 -5.909 1.00 44.35 H new ATOM 0 HB3 ARG A 97 -10.524 -4.418 -7.158 1.00 44.35 H new ATOM 0 HG2 ARG A 97 -12.369 -4.143 -5.838 1.00 24.24 H new ATOM 0 HG3 ARG A 97 -11.717 -5.564 -5.047 1.00 24.24 H new ATOM 0 HD2 ARG A 97 -11.305 -4.435 -3.132 1.00 50.41 H new ATOM 0 HD3 ARG A 97 -10.494 -3.134 -3.982 1.00 50.41 H new ATOM 0 HE ARG A 97 -12.443 -1.869 -3.899 1.00 44.43 H new ATOM 0 HH11 ARG A 97 -13.181 -5.267 -3.253 1.00 62.02 H new ATOM 0 HH12 ARG A 97 -14.859 -4.933 -2.809 1.00 62.02 H new ATOM 0 HH21 ARG A 97 -14.595 -1.458 -3.327 1.00 61.11 H new ATOM 0 HH22 ARG A 97 -15.655 -2.789 -2.851 1.00 61.11 H new ATOM 1513 N GLU A 98 -9.769 -7.321 -7.350 1.00 32.54 N ATOM 1514 CA GLU A 98 -10.325 -8.610 -7.741 1.00 55.34 C ATOM 1515 C GLU A 98 -9.639 -9.747 -6.990 1.00 54.03 C ATOM 1516 O GLU A 98 -10.265 -10.754 -6.659 1.00 44.33 O ATOM 1517 CB GLU A 98 -10.177 -8.818 -9.249 1.00 20.23 C ATOM 1518 CG GLU A 98 -10.761 -7.685 -10.079 1.00 34.32 C ATOM 1519 CD GLU A 98 -10.478 -7.842 -11.561 1.00 63.12 C ATOM 1520 OE1 GLU A 98 -9.584 -8.640 -11.914 1.00 51.04 O ATOM 1521 OE2 GLU A 98 -11.152 -7.168 -12.368 1.00 5.52 O ATOM 0 H GLU A 98 -9.313 -6.811 -8.107 1.00 32.54 H new ATOM 0 HA GLU A 98 -11.384 -8.614 -7.484 1.00 55.34 H new ATOM 0 HB2 GLU A 98 -9.120 -8.927 -9.490 1.00 20.23 H new ATOM 0 HB3 GLU A 98 -10.666 -9.751 -9.528 1.00 20.23 H new ATOM 0 HG2 GLU A 98 -11.839 -7.642 -9.921 1.00 34.32 H new ATOM 0 HG3 GLU A 98 -10.350 -6.737 -9.733 1.00 34.32 H new ATOM 1528 N GLN A 99 -8.348 -9.577 -6.723 1.00 53.15 N ATOM 1529 CA GLN A 99 -7.575 -10.587 -6.011 1.00 52.11 C ATOM 1530 C GLN A 99 -7.987 -10.650 -4.543 1.00 73.24 C ATOM 1531 O GLN A 99 -8.167 -11.732 -3.985 1.00 73.45 O ATOM 1532 CB GLN A 99 -6.077 -10.287 -6.124 1.00 64.13 C ATOM 1533 CG GLN A 99 -5.298 -11.358 -6.868 1.00 30.40 C ATOM 1534 CD GLN A 99 -4.631 -12.349 -5.934 1.00 30.11 C ATOM 1535 OE1 GLN A 99 -5.220 -12.779 -4.943 1.00 12.14 O ATOM 1536 NE2 GLN A 99 -3.393 -12.715 -6.246 1.00 41.25 N ATOM 0 H GLN A 99 -7.815 -8.749 -6.989 1.00 53.15 H new ATOM 0 HA GLN A 99 -7.778 -11.556 -6.468 1.00 52.11 H new ATOM 0 HB2 GLN A 99 -5.943 -9.332 -6.633 1.00 64.13 H new ATOM 0 HB3 GLN A 99 -5.660 -10.176 -5.123 1.00 64.13 H new ATOM 0 HG2 GLN A 99 -5.971 -11.892 -7.538 1.00 30.40 H new ATOM 0 HG3 GLN A 99 -4.539 -10.884 -7.490 1.00 30.40 H new ATOM 0 HE21 GLN A 99 -2.943 -12.333 -7.078 1.00 41.25 H new ATOM 0 HE22 GLN A 99 -2.893 -13.378 -5.654 1.00 41.25 H new ATOM 1545 N ILE A 100 -8.136 -9.483 -3.926 1.00 40.24 N ATOM 1546 CA ILE A 100 -8.529 -9.405 -2.524 1.00 64.03 C ATOM 1547 C ILE A 100 -9.969 -9.870 -2.334 1.00 71.52 C ATOM 1548 O ILE A 100 -10.272 -10.616 -1.403 1.00 13.32 O ATOM 1549 CB ILE A 100 -8.386 -7.970 -1.978 1.00 35.44 C ATOM 1550 CG1 ILE A 100 -6.980 -7.434 -2.254 1.00 70.12 C ATOM 1551 CG2 ILE A 100 -8.687 -7.935 -0.487 1.00 72.24 C ATOM 1552 CD1 ILE A 100 -6.845 -5.945 -2.018 1.00 54.32 C ATOM 0 H ILE A 100 -7.991 -8.578 -4.374 1.00 40.24 H new ATOM 0 HA ILE A 100 -7.860 -10.063 -1.969 1.00 64.03 H new ATOM 0 HB ILE A 100 -9.107 -7.331 -2.489 1.00 35.44 H new ATOM 0 HG12 ILE A 100 -6.268 -7.961 -1.619 1.00 70.12 H new ATOM 0 HG13 ILE A 100 -6.711 -7.656 -3.287 1.00 70.12 H new ATOM 0 HG21 ILE A 100 -8.581 -6.915 -0.118 1.00 72.24 H new ATOM 0 HG22 ILE A 100 -9.706 -8.280 -0.313 1.00 72.24 H new ATOM 0 HG23 ILE A 100 -7.989 -8.585 0.040 1.00 72.24 H new ATOM 0 HD11 ILE A 100 -5.823 -5.634 -2.233 1.00 54.32 H new ATOM 0 HD12 ILE A 100 -7.533 -5.409 -2.672 1.00 54.32 H new ATOM 0 HD13 ILE A 100 -7.082 -5.718 -0.979 1.00 54.32 H new ATOM 1564 N LYS A 101 -10.853 -9.427 -3.223 1.00 33.10 N ATOM 1565 CA LYS A 101 -12.261 -9.801 -3.152 1.00 32.43 C ATOM 1566 C LYS A 101 -12.422 -11.319 -3.149 1.00 52.21 C ATOM 1567 O LYS A 101 -13.313 -11.857 -2.492 1.00 32.13 O ATOM 1568 CB LYS A 101 -13.031 -9.194 -4.329 1.00 45.15 C ATOM 1569 CG LYS A 101 -14.297 -8.463 -3.915 1.00 4.00 C ATOM 1570 CD LYS A 101 -15.075 -7.967 -5.124 1.00 41.52 C ATOM 1571 CE LYS A 101 -14.805 -6.496 -5.395 1.00 31.22 C ATOM 1572 NZ LYS A 101 -15.193 -6.105 -6.779 1.00 25.43 N ATOM 0 H LYS A 101 -10.619 -8.809 -4.000 1.00 33.10 H new ATOM 0 HA LYS A 101 -12.669 -9.410 -2.220 1.00 32.43 H new ATOM 0 HB2 LYS A 101 -12.379 -8.501 -4.861 1.00 45.15 H new ATOM 0 HB3 LYS A 101 -13.292 -9.987 -5.030 1.00 45.15 H new ATOM 0 HG2 LYS A 101 -14.926 -9.129 -3.324 1.00 4.00 H new ATOM 0 HG3 LYS A 101 -14.038 -7.619 -3.276 1.00 4.00 H new ATOM 0 HD2 LYS A 101 -14.802 -8.555 -6.000 1.00 41.52 H new ATOM 0 HD3 LYS A 101 -16.142 -8.118 -4.958 1.00 41.52 H new ATOM 0 HE2 LYS A 101 -15.356 -5.888 -4.678 1.00 31.22 H new ATOM 0 HE3 LYS A 101 -13.746 -6.287 -5.242 1.00 31.22 H new ATOM 0 HZ1 LYS A 101 -14.993 -5.095 -6.923 1.00 25.43 H new ATOM 0 HZ2 LYS A 101 -14.649 -6.667 -7.464 1.00 25.43 H new ATOM 0 HZ3 LYS A 101 -16.209 -6.280 -6.917 1.00 25.43 H new ATOM 1586 N ARG A 102 -11.554 -12.002 -3.888 1.00 52.24 N ATOM 1587 CA ARG A 102 -11.598 -13.454 -3.973 1.00 51.41 C ATOM 1588 C ARG A 102 -11.176 -14.096 -2.656 1.00 60.22 C ATOM 1589 O ARG A 102 -11.939 -14.848 -2.050 1.00 64.20 O ATOM 1590 CB ARG A 102 -10.693 -13.942 -5.105 1.00 31.24 C ATOM 1591 CG ARG A 102 -11.363 -14.950 -6.017 1.00 22.42 C ATOM 1592 CD ARG A 102 -10.572 -15.159 -7.298 1.00 60.24 C ATOM 1593 NE ARG A 102 -10.994 -16.363 -8.011 1.00 32.24 N ATOM 1594 CZ ARG A 102 -12.097 -16.437 -8.752 1.00 34.54 C ATOM 1595 NH1 ARG A 102 -12.891 -15.381 -8.882 1.00 34.04 N ATOM 1596 NH2 ARG A 102 -12.408 -17.571 -9.365 1.00 21.41 N ATOM 0 H ARG A 102 -10.811 -11.570 -4.437 1.00 52.24 H new ATOM 0 HA ARG A 102 -12.627 -13.749 -4.181 1.00 51.41 H new ATOM 0 HB2 ARG A 102 -10.370 -13.086 -5.697 1.00 31.24 H new ATOM 0 HB3 ARG A 102 -9.796 -14.390 -4.676 1.00 31.24 H new ATOM 0 HG2 ARG A 102 -11.468 -15.901 -5.494 1.00 22.42 H new ATOM 0 HG3 ARG A 102 -12.369 -14.608 -6.262 1.00 22.42 H new ATOM 0 HD2 ARG A 102 -10.696 -14.292 -7.946 1.00 60.24 H new ATOM 0 HD3 ARG A 102 -9.510 -15.231 -7.061 1.00 60.24 H new ATOM 0 HE ARG A 102 -10.409 -17.195 -7.936 1.00 32.24 H new ATOM 0 HH11 ARG A 102 -12.657 -14.506 -8.412 1.00 34.04 H new ATOM 0 HH12 ARG A 102 -13.735 -15.444 -9.451 1.00 34.04 H new ATOM 0 HH21 ARG A 102 -11.802 -18.386 -9.268 1.00 21.41 H new ATOM 0 HH22 ARG A 102 -13.253 -17.628 -9.933 1.00 21.41 H new ATOM 1610 N VAL A 103 -9.957 -13.798 -2.218 1.00 2.22 N ATOM 1611 CA VAL A 103 -9.437 -14.350 -0.974 1.00 70.11 C ATOM 1612 C VAL A 103 -10.359 -14.026 0.199 1.00 20.44 C ATOM 1613 O VAL A 103 -10.765 -14.915 0.947 1.00 11.43 O ATOM 1614 CB VAL A 103 -8.023 -13.817 -0.670 1.00 53.32 C ATOM 1615 CG1 VAL A 103 -7.456 -14.481 0.574 1.00 44.22 C ATOM 1616 CG2 VAL A 103 -7.102 -14.027 -1.865 1.00 71.23 C ATOM 0 H VAL A 103 -9.312 -13.177 -2.707 1.00 2.22 H new ATOM 0 HA VAL A 103 -9.387 -15.431 -1.103 1.00 70.11 H new ATOM 0 HB VAL A 103 -8.093 -12.746 -0.480 1.00 53.32 H new ATOM 0 HG11 VAL A 103 -6.457 -14.091 0.771 1.00 44.22 H new ATOM 0 HG12 VAL A 103 -8.103 -14.270 1.426 1.00 44.22 H new ATOM 0 HG13 VAL A 103 -7.401 -15.558 0.418 1.00 44.22 H new ATOM 0 HG21 VAL A 103 -6.109 -13.644 -1.631 1.00 71.23 H new ATOM 0 HG22 VAL A 103 -7.037 -15.091 -2.091 1.00 71.23 H new ATOM 0 HG23 VAL A 103 -7.501 -13.496 -2.729 1.00 71.23 H new ATOM 1626 N LYS A 104 -10.686 -12.747 0.352 1.00 44.54 N ATOM 1627 CA LYS A 104 -11.561 -12.304 1.431 1.00 44.04 C ATOM 1628 C LYS A 104 -12.973 -12.850 1.247 1.00 61.13 C ATOM 1629 O LYS A 104 -13.713 -13.021 2.216 1.00 21.35 O ATOM 1630 CB LYS A 104 -11.601 -10.775 1.492 1.00 13.10 C ATOM 1631 CG LYS A 104 -10.226 -10.132 1.557 1.00 0.12 C ATOM 1632 CD LYS A 104 -9.507 -10.478 2.850 1.00 42.41 C ATOM 1633 CE LYS A 104 -8.003 -10.467 2.668 1.00 13.23 C ATOM 1634 NZ LYS A 104 -7.445 -11.846 2.595 1.00 54.32 N ATOM 0 H LYS A 104 -10.358 -11.999 -0.258 1.00 44.54 H new ATOM 0 HA LYS A 104 -11.159 -12.689 2.368 1.00 44.04 H new ATOM 0 HB2 LYS A 104 -12.128 -10.399 0.615 1.00 13.10 H new ATOM 0 HB3 LYS A 104 -12.177 -10.470 2.365 1.00 13.10 H new ATOM 0 HG2 LYS A 104 -9.628 -10.463 0.708 1.00 0.12 H new ATOM 0 HG3 LYS A 104 -10.326 -9.050 1.474 1.00 0.12 H new ATOM 0 HD2 LYS A 104 -9.786 -9.764 3.625 1.00 42.41 H new ATOM 0 HD3 LYS A 104 -9.826 -11.462 3.193 1.00 42.41 H new ATOM 0 HE2 LYS A 104 -7.751 -9.924 1.757 1.00 13.23 H new ATOM 0 HE3 LYS A 104 -7.540 -9.931 3.497 1.00 13.23 H new ATOM 0 HZ1 LYS A 104 -6.702 -11.958 3.314 1.00 54.32 H new ATOM 0 HZ2 LYS A 104 -8.203 -12.537 2.770 1.00 54.32 H new ATOM 0 HZ3 LYS A 104 -7.041 -12.007 1.650 1.00 54.32 H new ATOM 1648 N ASP A 105 -13.343 -13.121 -0.002 1.00 14.42 N ATOM 1649 CA ASP A 105 -14.669 -13.647 -0.312 1.00 20.24 C ATOM 1650 C ASP A 105 -15.743 -12.595 -0.052 1.00 31.54 C ATOM 1651 O ASP A 105 -16.829 -12.908 0.437 1.00 51.44 O ATOM 1652 CB ASP A 105 -14.953 -14.902 0.517 1.00 74.43 C ATOM 1653 CG ASP A 105 -16.044 -15.764 -0.089 1.00 32.24 C ATOM 1654 OD1 ASP A 105 -16.705 -15.304 -1.044 1.00 61.54 O ATOM 1655 OD2 ASP A 105 -16.238 -16.901 0.392 1.00 32.55 O ATOM 0 H ASP A 105 -12.743 -12.985 -0.816 1.00 14.42 H new ATOM 0 HA ASP A 105 -14.691 -13.910 -1.370 1.00 20.24 H new ATOM 0 HB2 ASP A 105 -14.039 -15.489 0.607 1.00 74.43 H new ATOM 0 HB3 ASP A 105 -15.244 -14.609 1.526 1.00 74.43 H new ATOM 1660 N SER A 106 -15.431 -11.347 -0.384 1.00 71.20 N ATOM 1661 CA SER A 106 -16.367 -10.245 -0.189 1.00 5.42 C ATOM 1662 C SER A 106 -15.796 -8.944 -0.742 1.00 4.34 C ATOM 1663 O SER A 106 -14.596 -8.841 -1.000 1.00 42.20 O ATOM 1664 CB SER A 106 -16.692 -10.082 1.297 1.00 10.14 C ATOM 1665 OG SER A 106 -17.982 -9.524 1.479 1.00 44.44 O ATOM 0 H SER A 106 -14.536 -11.073 -0.790 1.00 71.20 H new ATOM 0 HA SER A 106 -17.284 -10.478 -0.731 1.00 5.42 H new ATOM 0 HB2 SER A 106 -16.638 -11.051 1.793 1.00 10.14 H new ATOM 0 HB3 SER A 106 -15.946 -9.442 1.768 1.00 10.14 H new ATOM 0 HG SER A 106 -18.166 -9.432 2.437 1.00 44.44 H new ATOM 1671 N ASP A 107 -16.662 -7.952 -0.925 1.00 21.33 N ATOM 1672 CA ASP A 107 -16.239 -6.658 -1.449 1.00 22.51 C ATOM 1673 C ASP A 107 -16.179 -5.605 -0.343 1.00 2.43 C ATOM 1674 O ASP A 107 -16.170 -4.405 -0.618 1.00 5.00 O ATOM 1675 CB ASP A 107 -17.194 -6.197 -2.553 1.00 11.41 C ATOM 1676 CG ASP A 107 -18.610 -6.001 -2.048 1.00 23.25 C ATOM 1677 OD1 ASP A 107 -19.057 -6.807 -1.205 1.00 34.55 O ATOM 1678 OD2 ASP A 107 -19.272 -5.040 -2.495 1.00 30.24 O ATOM 0 H ASP A 107 -17.659 -8.019 -0.719 1.00 21.33 H new ATOM 0 HA ASP A 107 -15.238 -6.776 -1.863 1.00 22.51 H new ATOM 0 HB2 ASP A 107 -16.830 -5.261 -2.977 1.00 11.41 H new ATOM 0 HB3 ASP A 107 -17.197 -6.932 -3.358 1.00 11.41 H new ATOM 1683 N ASP A 108 -16.135 -6.059 0.907 1.00 23.20 N ATOM 1684 CA ASP A 108 -16.074 -5.152 2.047 1.00 11.43 C ATOM 1685 C ASP A 108 -14.897 -5.498 2.954 1.00 33.32 C ATOM 1686 O ASP A 108 -15.060 -6.179 3.966 1.00 12.52 O ATOM 1687 CB ASP A 108 -17.380 -5.210 2.842 1.00 25.03 C ATOM 1688 CG ASP A 108 -18.551 -4.633 2.072 1.00 4.21 C ATOM 1689 OD1 ASP A 108 -18.323 -3.754 1.214 1.00 31.13 O ATOM 1690 OD2 ASP A 108 -19.697 -5.060 2.326 1.00 54.12 O ATOM 0 H ASP A 108 -16.140 -7.048 1.155 1.00 23.20 H new ATOM 0 HA ASP A 108 -15.933 -4.140 1.668 1.00 11.43 H new ATOM 0 HB2 ASP A 108 -17.596 -6.245 3.105 1.00 25.03 H new ATOM 0 HB3 ASP A 108 -17.258 -4.662 3.777 1.00 25.03 H new ATOM 1695 N VAL A 109 -13.711 -5.025 2.583 1.00 54.52 N ATOM 1696 CA VAL A 109 -12.508 -5.287 3.364 1.00 41.33 C ATOM 1697 C VAL A 109 -11.733 -3.999 3.636 1.00 32.30 C ATOM 1698 O VAL A 109 -11.831 -3.034 2.879 1.00 35.20 O ATOM 1699 CB VAL A 109 -11.582 -6.291 2.648 1.00 44.11 C ATOM 1700 CG1 VAL A 109 -12.296 -7.616 2.432 1.00 73.10 C ATOM 1701 CG2 VAL A 109 -11.093 -5.719 1.325 1.00 73.34 C ATOM 0 H VAL A 109 -13.558 -4.459 1.748 1.00 54.52 H new ATOM 0 HA VAL A 109 -12.834 -5.716 4.312 1.00 41.33 H new ATOM 0 HB VAL A 109 -10.714 -6.471 3.282 1.00 44.11 H new ATOM 0 HG11 VAL A 109 -11.627 -8.312 1.926 1.00 73.10 H new ATOM 0 HG12 VAL A 109 -12.590 -8.032 3.396 1.00 73.10 H new ATOM 0 HG13 VAL A 109 -13.183 -7.456 1.820 1.00 73.10 H new ATOM 0 HG21 VAL A 109 -10.441 -6.442 0.835 1.00 73.34 H new ATOM 0 HG22 VAL A 109 -11.947 -5.507 0.682 1.00 73.34 H new ATOM 0 HG23 VAL A 109 -10.540 -4.798 1.509 1.00 73.34 H new ATOM 1711 N PRO A 110 -10.948 -3.971 4.727 1.00 45.42 N ATOM 1712 CA PRO A 110 -10.152 -2.796 5.098 1.00 63.55 C ATOM 1713 C PRO A 110 -8.986 -2.563 4.144 1.00 2.41 C ATOM 1714 O PRO A 110 -7.994 -3.292 4.172 1.00 32.43 O ATOM 1715 CB PRO A 110 -9.633 -3.143 6.494 1.00 51.34 C ATOM 1716 CG PRO A 110 -9.618 -4.631 6.533 1.00 61.43 C ATOM 1717 CD PRO A 110 -10.773 -5.081 5.681 1.00 63.05 C ATOM 0 HA PRO A 110 -10.740 -1.879 5.062 1.00 63.55 H new ATOM 0 HB2 PRO A 110 -8.637 -2.733 6.659 1.00 51.34 H new ATOM 0 HB3 PRO A 110 -10.280 -2.733 7.270 1.00 51.34 H new ATOM 0 HG2 PRO A 110 -8.675 -5.022 6.150 1.00 61.43 H new ATOM 0 HG3 PRO A 110 -9.722 -4.995 7.555 1.00 61.43 H new ATOM 0 HD2 PRO A 110 -10.554 -6.019 5.170 1.00 63.05 H new ATOM 0 HD3 PRO A 110 -11.671 -5.244 6.276 1.00 63.05 H new ATOM 1725 N MET A 111 -9.109 -1.543 3.303 1.00 11.40 N ATOM 1726 CA MET A 111 -8.061 -1.217 2.344 1.00 75.45 C ATOM 1727 C MET A 111 -8.041 0.278 2.046 1.00 32.51 C ATOM 1728 O MET A 111 -8.932 1.017 2.466 1.00 64.33 O ATOM 1729 CB MET A 111 -8.259 -2.005 1.048 1.00 34.01 C ATOM 1730 CG MET A 111 -9.630 -1.813 0.421 1.00 44.52 C ATOM 1731 SD MET A 111 -9.664 -2.263 -1.324 1.00 44.35 S ATOM 1732 CE MET A 111 -9.730 -4.048 -1.204 1.00 31.43 C ATOM 0 H MET A 111 -9.922 -0.929 3.266 1.00 11.40 H new ATOM 0 HA MET A 111 -7.103 -1.494 2.785 1.00 75.45 H new ATOM 0 HB2 MET A 111 -7.496 -1.705 0.330 1.00 34.01 H new ATOM 0 HB3 MET A 111 -8.107 -3.065 1.251 1.00 34.01 H new ATOM 0 HG2 MET A 111 -10.360 -2.415 0.962 1.00 44.52 H new ATOM 0 HG3 MET A 111 -9.932 -0.771 0.530 1.00 44.52 H new ATOM 0 HE1 MET A 111 -9.370 -4.489 -2.134 1.00 31.43 H new ATOM 0 HE2 MET A 111 -9.102 -4.381 -0.378 1.00 31.43 H new ATOM 0 HE3 MET A 111 -10.758 -4.363 -1.027 1.00 31.43 H new ATOM 1742 N VAL A 112 -7.019 0.717 1.320 1.00 52.43 N ATOM 1743 CA VAL A 112 -6.882 2.125 0.966 1.00 10.34 C ATOM 1744 C VAL A 112 -6.295 2.283 -0.432 1.00 75.43 C ATOM 1745 O VAL A 112 -5.675 1.363 -0.964 1.00 34.54 O ATOM 1746 CB VAL A 112 -5.989 2.875 1.973 1.00 23.30 C ATOM 1747 CG1 VAL A 112 -6.112 4.378 1.779 1.00 14.02 C ATOM 1748 CG2 VAL A 112 -6.342 2.485 3.400 1.00 65.21 C ATOM 0 H VAL A 112 -6.273 0.118 0.965 1.00 52.43 H new ATOM 0 HA VAL A 112 -7.883 2.556 0.990 1.00 10.34 H new ATOM 0 HB VAL A 112 -4.953 2.590 1.791 1.00 23.30 H new ATOM 0 HG11 VAL A 112 -5.474 4.891 2.499 1.00 14.02 H new ATOM 0 HG12 VAL A 112 -5.802 4.641 0.768 1.00 14.02 H new ATOM 0 HG13 VAL A 112 -7.148 4.681 1.931 1.00 14.02 H new ATOM 0 HG21 VAL A 112 -5.699 3.026 4.095 1.00 65.21 H new ATOM 0 HG22 VAL A 112 -7.384 2.736 3.599 1.00 65.21 H new ATOM 0 HG23 VAL A 112 -6.196 1.413 3.531 1.00 65.21 H new ATOM 1758 N LEU A 113 -6.496 3.456 -1.022 1.00 15.33 N ATOM 1759 CA LEU A 113 -5.987 3.736 -2.358 1.00 65.42 C ATOM 1760 C LEU A 113 -5.135 5.001 -2.359 1.00 61.35 C ATOM 1761 O LEU A 113 -5.655 6.112 -2.259 1.00 3.42 O ATOM 1762 CB LEU A 113 -7.149 3.883 -3.345 1.00 41.31 C ATOM 1763 CG LEU A 113 -6.756 4.282 -4.771 1.00 15.42 C ATOM 1764 CD1 LEU A 113 -5.441 3.631 -5.172 1.00 50.15 C ATOM 1765 CD2 LEU A 113 -7.859 3.901 -5.747 1.00 54.41 C ATOM 0 H LEU A 113 -7.008 4.228 -0.595 1.00 15.33 H new ATOM 0 HA LEU A 113 -5.360 2.900 -2.668 1.00 65.42 H new ATOM 0 HB2 LEU A 113 -7.689 2.937 -3.387 1.00 41.31 H new ATOM 0 HB3 LEU A 113 -7.842 4.629 -2.955 1.00 41.31 H new ATOM 0 HG LEU A 113 -6.621 5.363 -4.800 1.00 15.42 H new ATOM 0 HD11 LEU A 113 -5.182 3.929 -6.188 1.00 50.15 H new ATOM 0 HD12 LEU A 113 -4.654 3.950 -4.489 1.00 50.15 H new ATOM 0 HD13 LEU A 113 -5.543 2.547 -5.127 1.00 50.15 H new ATOM 0 HD21 LEU A 113 -7.567 4.190 -6.757 1.00 54.41 H new ATOM 0 HD22 LEU A 113 -8.021 2.824 -5.710 1.00 54.41 H new ATOM 0 HD23 LEU A 113 -8.780 4.416 -5.474 1.00 54.41 H new ATOM 1777 N VAL A 114 -3.822 4.825 -2.468 1.00 3.41 N ATOM 1778 CA VAL A 114 -2.899 5.952 -2.476 1.00 34.14 C ATOM 1779 C VAL A 114 -2.366 6.223 -3.878 1.00 3.40 C ATOM 1780 O VAL A 114 -2.270 5.315 -4.704 1.00 14.34 O ATOM 1781 CB VAL A 114 -1.710 5.706 -1.530 1.00 53.52 C ATOM 1782 CG1 VAL A 114 -0.877 6.968 -1.383 1.00 61.12 C ATOM 1783 CG2 VAL A 114 -2.197 5.218 -0.174 1.00 4.30 C ATOM 0 H VAL A 114 -3.374 3.912 -2.552 1.00 3.41 H new ATOM 0 HA VAL A 114 -3.460 6.820 -2.132 1.00 34.14 H new ATOM 0 HB VAL A 114 -1.079 4.930 -1.963 1.00 53.52 H new ATOM 0 HG11 VAL A 114 -0.041 6.776 -0.711 1.00 61.12 H new ATOM 0 HG12 VAL A 114 -0.496 7.268 -2.359 1.00 61.12 H new ATOM 0 HG13 VAL A 114 -1.496 7.767 -0.973 1.00 61.12 H new ATOM 0 HG21 VAL A 114 -1.342 5.050 0.481 1.00 4.30 H new ATOM 0 HG22 VAL A 114 -2.851 5.969 0.269 1.00 4.30 H new ATOM 0 HG23 VAL A 114 -2.747 4.285 -0.299 1.00 4.30 H new ATOM 1793 N GLY A 115 -2.018 7.480 -4.139 1.00 65.13 N ATOM 1794 CA GLY A 115 -1.494 7.853 -5.440 1.00 44.42 C ATOM 1795 C GLY A 115 -0.102 8.448 -5.350 1.00 42.12 C ATOM 1796 O GLY A 115 0.054 9.665 -5.245 1.00 11.13 O ATOM 0 H GLY A 115 -2.090 8.248 -3.471 1.00 65.13 H new ATOM 0 HA2 GLY A 115 -1.470 6.975 -6.085 1.00 44.42 H new ATOM 0 HA3 GLY A 115 -2.165 8.574 -5.907 1.00 44.42 H new ATOM 1800 N ASN A 116 0.910 7.588 -5.388 1.00 72.24 N ATOM 1801 CA ASN A 116 2.297 8.034 -5.306 1.00 31.34 C ATOM 1802 C ASN A 116 2.652 8.939 -6.481 1.00 33.22 C ATOM 1803 O ASN A 116 1.891 9.056 -7.441 1.00 74.53 O ATOM 1804 CB ASN A 116 3.240 6.831 -5.272 1.00 24.04 C ATOM 1805 CG ASN A 116 4.557 7.147 -4.591 1.00 73.43 C ATOM 1806 OD1 ASN A 116 4.820 8.293 -4.224 1.00 33.21 O ATOM 1807 ND2 ASN A 116 5.393 6.130 -4.418 1.00 44.21 N ATOM 0 H ASN A 116 0.796 6.578 -5.475 1.00 72.24 H new ATOM 0 HA ASN A 116 2.413 8.605 -4.385 1.00 31.34 H new ATOM 0 HB2 ASN A 116 2.754 6.006 -4.751 1.00 24.04 H new ATOM 0 HB3 ASN A 116 3.433 6.495 -6.291 1.00 24.04 H new ATOM 0 HD21 ASN A 116 6.294 6.282 -3.965 1.00 44.21 H new ATOM 0 HD22 ASN A 116 5.134 5.197 -4.738 1.00 44.21 H new ATOM 1814 N LYS A 117 3.815 9.577 -6.397 1.00 1.33 N ATOM 1815 CA LYS A 117 4.276 10.472 -7.452 1.00 23.35 C ATOM 1816 C LYS A 117 3.308 11.636 -7.642 1.00 53.43 C ATOM 1817 O LYS A 117 2.759 11.832 -8.727 1.00 74.13 O ATOM 1818 CB LYS A 117 4.439 9.703 -8.765 1.00 31.53 C ATOM 1819 CG LYS A 117 5.399 8.528 -8.664 1.00 52.23 C ATOM 1820 CD LYS A 117 6.096 8.259 -9.990 1.00 3.31 C ATOM 1821 CE LYS A 117 7.607 8.223 -9.830 1.00 61.14 C ATOM 1822 NZ LYS A 117 8.106 6.840 -9.593 1.00 71.24 N ATOM 0 H LYS A 117 4.456 9.491 -5.608 1.00 1.33 H new ATOM 0 HA LYS A 117 5.243 10.877 -7.155 1.00 23.35 H new ATOM 0 HB2 LYS A 117 3.464 9.338 -9.087 1.00 31.53 H new ATOM 0 HB3 LYS A 117 4.794 10.387 -9.536 1.00 31.53 H new ATOM 0 HG2 LYS A 117 6.144 8.731 -7.895 1.00 52.23 H new ATOM 0 HG3 LYS A 117 4.854 7.637 -8.352 1.00 52.23 H new ATOM 0 HD2 LYS A 117 5.750 7.309 -10.398 1.00 3.31 H new ATOM 0 HD3 LYS A 117 5.824 9.032 -10.708 1.00 3.31 H new ATOM 0 HE2 LYS A 117 8.077 8.630 -10.725 1.00 61.14 H new ATOM 0 HE3 LYS A 117 7.900 8.863 -8.997 1.00 61.14 H new ATOM 0 HZ1 LYS A 117 9.141 6.857 -9.489 1.00 71.24 H new ATOM 0 HZ2 LYS A 117 7.677 6.460 -8.725 1.00 71.24 H new ATOM 0 HZ3 LYS A 117 7.849 6.235 -10.399 1.00 71.24 H new ATOM 1836 N CYS A 118 3.104 12.407 -6.579 1.00 31.11 N ATOM 1837 CA CYS A 118 2.204 13.554 -6.626 1.00 3.44 C ATOM 1838 C CYS A 118 2.980 14.866 -6.742 1.00 32.20 C ATOM 1839 O CYS A 118 2.391 15.947 -6.703 1.00 32.35 O ATOM 1840 CB CYS A 118 1.319 13.582 -5.379 1.00 53.22 C ATOM 1841 SG CYS A 118 -0.195 14.553 -5.570 1.00 12.33 S ATOM 0 H CYS A 118 3.550 12.258 -5.674 1.00 31.11 H new ATOM 0 HA CYS A 118 1.577 13.450 -7.512 1.00 3.44 H new ATOM 0 HB2 CYS A 118 1.051 12.559 -5.114 1.00 53.22 H new ATOM 0 HB3 CYS A 118 1.895 13.987 -4.547 1.00 53.22 H new ATOM 0 HG CYS A 118 0.089 15.697 -6.118 1.00 12.33 H new ATOM 1847 N ASP A 119 4.300 14.770 -6.882 1.00 62.43 N ATOM 1848 CA ASP A 119 5.143 15.955 -7.000 1.00 60.41 C ATOM 1849 C ASP A 119 5.709 16.086 -8.412 1.00 74.11 C ATOM 1850 O ASP A 119 5.985 17.191 -8.879 1.00 71.25 O ATOM 1851 CB ASP A 119 6.286 15.896 -5.984 1.00 32.33 C ATOM 1852 CG ASP A 119 7.213 14.719 -6.223 1.00 73.12 C ATOM 1853 OD1 ASP A 119 6.801 13.573 -5.945 1.00 20.41 O ATOM 1854 OD2 ASP A 119 8.350 14.944 -6.687 1.00 65.11 O ATOM 0 H ASP A 119 4.807 13.886 -6.916 1.00 62.43 H new ATOM 0 HA ASP A 119 4.526 16.830 -6.794 1.00 60.41 H new ATOM 0 HB2 ASP A 119 6.859 16.822 -6.032 1.00 32.33 H new ATOM 0 HB3 ASP A 119 5.871 15.830 -4.978 1.00 32.33 H new ATOM 1859 N LEU A 120 5.880 14.952 -9.086 1.00 4.02 N ATOM 1860 CA LEU A 120 6.414 14.940 -10.445 1.00 52.11 C ATOM 1861 C LEU A 120 5.616 15.868 -11.357 1.00 52.13 C ATOM 1862 O LEU A 120 4.438 16.129 -11.116 1.00 31.23 O ATOM 1863 CB LEU A 120 6.399 13.518 -11.005 1.00 63.25 C ATOM 1864 CG LEU A 120 7.618 12.671 -10.640 1.00 70.11 C ATOM 1865 CD1 LEU A 120 7.503 11.282 -11.247 1.00 30.22 C ATOM 1866 CD2 LEU A 120 8.897 13.354 -11.102 1.00 54.12 C ATOM 0 H LEU A 120 5.657 14.029 -8.713 1.00 4.02 H new ATOM 0 HA LEU A 120 7.442 15.300 -10.407 1.00 52.11 H new ATOM 0 HB2 LEU A 120 5.502 13.012 -10.648 1.00 63.25 H new ATOM 0 HB3 LEU A 120 6.324 13.571 -12.091 1.00 63.25 H new ATOM 0 HG LEU A 120 7.656 12.568 -9.556 1.00 70.11 H new ATOM 0 HD11 LEU A 120 8.380 10.693 -10.977 1.00 30.22 H new ATOM 0 HD12 LEU A 120 6.606 10.792 -10.868 1.00 30.22 H new ATOM 0 HD13 LEU A 120 7.441 11.363 -12.332 1.00 30.22 H new ATOM 0 HD21 LEU A 120 9.756 12.738 -10.834 1.00 54.12 H new ATOM 0 HD22 LEU A 120 8.868 13.487 -12.184 1.00 54.12 H new ATOM 0 HD23 LEU A 120 8.984 14.327 -10.619 1.00 54.12 H new ATOM 1878 N ALA A 121 6.268 16.364 -12.404 1.00 15.30 N ATOM 1879 CA ALA A 121 5.620 17.264 -13.351 1.00 30.42 C ATOM 1880 C ALA A 121 5.137 16.509 -14.585 1.00 23.12 C ATOM 1881 O ALA A 121 5.098 17.060 -15.685 1.00 25.44 O ATOM 1882 CB ALA A 121 6.573 18.379 -13.752 1.00 54.11 C ATOM 0 H ALA A 121 7.244 16.158 -12.618 1.00 15.30 H new ATOM 0 HA ALA A 121 4.749 17.701 -12.862 1.00 30.42 H new ATOM 0 HB1 ALA A 121 6.078 19.044 -14.459 1.00 54.11 H new ATOM 0 HB2 ALA A 121 6.866 18.944 -12.867 1.00 54.11 H new ATOM 0 HB3 ALA A 121 7.460 17.950 -14.218 1.00 54.11 H new ATOM 1888 N ALA A 122 4.769 15.247 -14.394 1.00 12.44 N ATOM 1889 CA ALA A 122 4.288 14.417 -15.491 1.00 11.33 C ATOM 1890 C ALA A 122 3.164 13.495 -15.029 1.00 4.21 C ATOM 1891 O ALA A 122 3.385 12.312 -14.773 1.00 53.43 O ATOM 1892 CB ALA A 122 5.433 13.604 -16.077 1.00 13.15 C ATOM 0 H ALA A 122 4.795 14.777 -13.489 1.00 12.44 H new ATOM 0 HA ALA A 122 3.889 15.073 -16.264 1.00 11.33 H new ATOM 0 HB1 ALA A 122 5.060 12.988 -16.896 1.00 13.15 H new ATOM 0 HB2 ALA A 122 6.203 14.278 -16.452 1.00 13.15 H new ATOM 0 HB3 ALA A 122 5.857 12.963 -15.304 1.00 13.15 H new ATOM 1898 N ARG A 123 1.959 14.045 -14.925 1.00 31.23 N ATOM 1899 CA ARG A 123 0.802 13.272 -14.495 1.00 62.02 C ATOM 1900 C ARG A 123 -0.010 12.800 -15.699 1.00 14.05 C ATOM 1901 O ARG A 123 -0.620 13.605 -16.403 1.00 45.01 O ATOM 1902 CB ARG A 123 -0.069 14.115 -13.555 1.00 43.31 C ATOM 1903 CG ARG A 123 -1.490 13.596 -13.389 1.00 64.45 C ATOM 1904 CD ARG A 123 -2.459 14.334 -14.298 1.00 51.51 C ATOM 1905 NE ARG A 123 -3.258 15.314 -13.568 1.00 41.31 N ATOM 1906 CZ ARG A 123 -4.267 15.997 -14.105 1.00 63.12 C ATOM 1907 NH1 ARG A 123 -4.603 15.807 -15.375 1.00 14.52 N ATOM 1908 NH2 ARG A 123 -4.942 16.871 -13.371 1.00 35.45 N ATOM 0 H ARG A 123 1.759 15.023 -15.133 1.00 31.23 H new ATOM 0 HA ARG A 123 1.151 12.391 -13.957 1.00 62.02 H new ATOM 0 HB2 ARG A 123 0.408 14.156 -12.576 1.00 43.31 H new ATOM 0 HB3 ARG A 123 -0.109 15.136 -13.933 1.00 43.31 H new ATOM 0 HG2 ARG A 123 -1.518 12.530 -13.614 1.00 64.45 H new ATOM 0 HG3 ARG A 123 -1.802 13.712 -12.351 1.00 64.45 H new ATOM 0 HD2 ARG A 123 -1.902 14.837 -15.089 1.00 51.51 H new ATOM 0 HD3 ARG A 123 -3.121 13.615 -14.782 1.00 51.51 H new ATOM 0 HE ARG A 123 -3.030 15.486 -12.589 1.00 41.31 H new ATOM 0 HH11 ARG A 123 -4.088 15.135 -15.944 1.00 14.52 H new ATOM 0 HH12 ARG A 123 -5.377 16.333 -15.782 1.00 14.52 H new ATOM 0 HH21 ARG A 123 -4.688 17.020 -12.394 1.00 35.45 H new ATOM 0 HH22 ARG A 123 -5.715 17.394 -13.783 1.00 35.45 H new ATOM 1922 N THR A 124 -0.013 11.491 -15.927 1.00 52.44 N ATOM 1923 CA THR A 124 -0.751 10.912 -17.043 1.00 24.42 C ATOM 1924 C THR A 124 -2.199 10.643 -16.649 1.00 74.23 C ATOM 1925 O THR A 124 -3.129 11.032 -17.356 1.00 61.40 O ATOM 1926 CB THR A 124 -0.085 9.615 -17.506 1.00 3.11 C ATOM 1927 OG1 THR A 124 -0.175 8.620 -16.502 1.00 53.45 O ATOM 1928 CG2 THR A 124 1.377 9.786 -17.854 1.00 13.15 C ATOM 0 H THR A 124 0.487 10.811 -15.354 1.00 52.44 H new ATOM 0 HA THR A 124 -0.742 11.627 -17.866 1.00 24.42 H new ATOM 0 HB THR A 124 -0.623 9.317 -18.406 1.00 3.11 H new ATOM 0 HG1 THR A 124 -0.005 9.024 -15.625 1.00 53.45 H new ATOM 0 HG21 THR A 124 1.789 8.829 -18.175 1.00 13.15 H new ATOM 0 HG22 THR A 124 1.476 10.512 -18.661 1.00 13.15 H new ATOM 0 HG23 THR A 124 1.921 10.140 -16.978 1.00 13.15 H new ATOM 1936 N VAL A 125 -2.383 9.979 -15.513 1.00 13.22 N ATOM 1937 CA VAL A 125 -3.714 9.662 -15.020 1.00 50.24 C ATOM 1938 C VAL A 125 -4.254 10.793 -14.151 1.00 45.13 C ATOM 1939 O VAL A 125 -3.874 10.931 -12.988 1.00 63.21 O ATOM 1940 CB VAL A 125 -3.709 8.356 -14.203 1.00 13.41 C ATOM 1941 CG1 VAL A 125 -5.119 7.984 -13.781 1.00 74.12 C ATOM 1942 CG2 VAL A 125 -3.070 7.228 -15.000 1.00 12.44 C ATOM 0 H VAL A 125 -1.624 9.650 -14.917 1.00 13.22 H new ATOM 0 HA VAL A 125 -4.359 9.534 -15.890 1.00 50.24 H new ATOM 0 HB VAL A 125 -3.115 8.517 -13.303 1.00 13.41 H new ATOM 0 HG11 VAL A 125 -5.094 7.059 -13.205 1.00 74.12 H new ATOM 0 HG12 VAL A 125 -5.538 8.782 -13.168 1.00 74.12 H new ATOM 0 HG13 VAL A 125 -5.739 7.844 -14.667 1.00 74.12 H new ATOM 0 HG21 VAL A 125 -3.076 6.314 -14.406 1.00 12.44 H new ATOM 0 HG22 VAL A 125 -3.634 7.067 -15.919 1.00 12.44 H new ATOM 0 HG23 VAL A 125 -2.042 7.494 -15.247 1.00 12.44 H new ATOM 1952 N GLU A 126 -5.140 11.603 -14.723 1.00 75.14 N ATOM 1953 CA GLU A 126 -5.729 12.725 -13.999 1.00 43.32 C ATOM 1954 C GLU A 126 -6.356 12.263 -12.687 1.00 4.55 C ATOM 1955 O GLU A 126 -6.634 11.078 -12.502 1.00 12.12 O ATOM 1956 CB GLU A 126 -6.782 13.422 -14.864 1.00 4.25 C ATOM 1957 CG GLU A 126 -7.707 12.459 -15.588 1.00 30.13 C ATOM 1958 CD GLU A 126 -8.976 13.128 -16.084 1.00 70.50 C ATOM 1959 OE1 GLU A 126 -9.158 14.334 -15.813 1.00 32.34 O ATOM 1960 OE2 GLU A 126 -9.787 12.445 -16.744 1.00 3.44 O ATOM 0 H GLU A 126 -5.466 11.504 -15.685 1.00 75.14 H new ATOM 0 HA GLU A 126 -4.932 13.432 -13.768 1.00 43.32 H new ATOM 0 HB2 GLU A 126 -7.379 14.082 -14.234 1.00 4.25 H new ATOM 0 HB3 GLU A 126 -6.279 14.051 -15.598 1.00 4.25 H new ATOM 0 HG2 GLU A 126 -7.178 12.020 -16.434 1.00 30.13 H new ATOM 0 HG3 GLU A 126 -7.970 11.641 -14.917 1.00 30.13 H new ATOM 1967 N SER A 127 -6.571 13.208 -11.779 1.00 2.11 N ATOM 1968 CA SER A 127 -7.161 12.903 -10.480 1.00 63.53 C ATOM 1969 C SER A 127 -8.570 12.339 -10.637 1.00 60.51 C ATOM 1970 O SER A 127 -8.955 11.401 -9.940 1.00 52.14 O ATOM 1971 CB SER A 127 -7.197 14.157 -9.606 1.00 21.12 C ATOM 1972 OG SER A 127 -5.904 14.478 -9.121 1.00 31.55 O ATOM 0 H SER A 127 -6.345 14.193 -11.918 1.00 2.11 H new ATOM 0 HA SER A 127 -6.540 12.148 -9.997 1.00 63.53 H new ATOM 0 HB2 SER A 127 -7.591 14.994 -10.182 1.00 21.12 H new ATOM 0 HB3 SER A 127 -7.875 14.000 -8.767 1.00 21.12 H new ATOM 0 HG SER A 127 -5.954 15.284 -8.566 1.00 31.55 H new ATOM 1978 N ARG A 128 -9.335 12.918 -11.558 1.00 52.54 N ATOM 1979 CA ARG A 128 -10.703 12.475 -11.808 1.00 75.32 C ATOM 1980 C ARG A 128 -10.743 10.986 -12.145 1.00 41.44 C ATOM 1981 O ARG A 128 -11.568 10.241 -11.617 1.00 3.34 O ATOM 1982 CB ARG A 128 -11.320 13.291 -12.948 1.00 12.42 C ATOM 1983 CG ARG A 128 -12.677 12.779 -13.408 1.00 62.25 C ATOM 1984 CD ARG A 128 -13.689 12.781 -12.273 1.00 24.20 C ATOM 1985 NE ARG A 128 -15.052 12.979 -12.758 1.00 41.30 N ATOM 1986 CZ ARG A 128 -15.515 14.141 -13.213 1.00 1.03 C ATOM 1987 NH1 ARG A 128 -14.729 15.211 -13.244 1.00 43.31 N ATOM 1988 NH2 ARG A 128 -16.767 14.235 -13.640 1.00 23.25 N ATOM 0 H ARG A 128 -9.031 13.695 -12.144 1.00 52.54 H new ATOM 0 HA ARG A 128 -11.285 12.634 -10.900 1.00 75.32 H new ATOM 0 HB2 ARG A 128 -11.424 14.327 -12.625 1.00 12.42 H new ATOM 0 HB3 ARG A 128 -10.635 13.288 -13.796 1.00 12.42 H new ATOM 0 HG2 ARG A 128 -13.044 13.401 -14.225 1.00 62.25 H new ATOM 0 HG3 ARG A 128 -12.571 11.768 -13.800 1.00 62.25 H new ATOM 0 HD2 ARG A 128 -13.630 11.836 -11.732 1.00 24.20 H new ATOM 0 HD3 ARG A 128 -13.438 13.570 -11.564 1.00 24.20 H new ATOM 0 HE ARG A 128 -15.686 12.180 -12.747 1.00 41.30 H new ATOM 0 HH11 ARG A 128 -13.765 15.145 -12.918 1.00 43.31 H new ATOM 0 HH12 ARG A 128 -15.090 16.099 -13.594 1.00 43.31 H new ATOM 0 HH21 ARG A 128 -17.376 13.417 -13.620 1.00 23.25 H new ATOM 0 HH22 ARG A 128 -17.121 15.126 -13.989 1.00 23.25 H new ATOM 2002 N GLN A 129 -9.848 10.562 -13.030 1.00 62.21 N ATOM 2003 CA GLN A 129 -9.781 9.165 -13.442 1.00 64.21 C ATOM 2004 C GLN A 129 -9.480 8.258 -12.253 1.00 15.30 C ATOM 2005 O GLN A 129 -10.063 7.183 -12.117 1.00 33.41 O ATOM 2006 CB GLN A 129 -8.713 8.981 -14.522 1.00 73.14 C ATOM 2007 CG GLN A 129 -8.911 7.733 -15.365 1.00 45.11 C ATOM 2008 CD GLN A 129 -7.995 7.694 -16.572 1.00 1.32 C ATOM 2009 OE1 GLN A 129 -8.106 8.521 -17.478 1.00 61.24 O ATOM 2010 NE2 GLN A 129 -7.082 6.730 -16.591 1.00 42.45 N ATOM 0 H GLN A 129 -9.158 11.166 -13.476 1.00 62.21 H new ATOM 0 HA GLN A 129 -10.753 8.887 -13.849 1.00 64.21 H new ATOM 0 HB2 GLN A 129 -8.713 9.854 -15.174 1.00 73.14 H new ATOM 0 HB3 GLN A 129 -7.732 8.938 -14.048 1.00 73.14 H new ATOM 0 HG2 GLN A 129 -8.733 6.851 -14.750 1.00 45.11 H new ATOM 0 HG3 GLN A 129 -9.948 7.685 -15.698 1.00 45.11 H new ATOM 0 HE21 GLN A 129 -7.025 6.066 -15.819 1.00 42.45 H new ATOM 0 HE22 GLN A 129 -6.437 6.654 -17.378 1.00 42.45 H new ATOM 2019 N ALA A 130 -8.564 8.697 -11.395 1.00 52.43 N ATOM 2020 CA ALA A 130 -8.186 7.922 -10.220 1.00 31.33 C ATOM 2021 C ALA A 130 -9.305 7.912 -9.184 1.00 0.51 C ATOM 2022 O ALA A 130 -9.494 6.926 -8.470 1.00 43.51 O ATOM 2023 CB ALA A 130 -6.906 8.475 -9.613 1.00 51.53 C ATOM 0 H ALA A 130 -8.071 9.585 -11.492 1.00 52.43 H new ATOM 0 HA ALA A 130 -8.011 6.893 -10.535 1.00 31.33 H new ATOM 0 HB1 ALA A 130 -6.635 7.887 -8.736 1.00 51.53 H new ATOM 0 HB2 ALA A 130 -6.102 8.422 -10.348 1.00 51.53 H new ATOM 0 HB3 ALA A 130 -7.061 9.513 -9.319 1.00 51.53 H new ATOM 2029 N GLN A 131 -10.044 9.013 -9.106 1.00 33.15 N ATOM 2030 CA GLN A 131 -11.145 9.129 -8.157 1.00 15.32 C ATOM 2031 C GLN A 131 -12.350 8.316 -8.620 1.00 73.12 C ATOM 2032 O GLN A 131 -13.097 7.776 -7.805 1.00 62.20 O ATOM 2033 CB GLN A 131 -11.541 10.597 -7.982 1.00 25.20 C ATOM 2034 CG GLN A 131 -10.987 11.229 -6.714 1.00 12.21 C ATOM 2035 CD GLN A 131 -12.077 11.722 -5.783 1.00 54.31 C ATOM 2036 OE1 GLN A 131 -12.390 12.912 -5.750 1.00 51.14 O ATOM 2037 NE2 GLN A 131 -12.661 10.807 -5.019 1.00 63.23 N ATOM 0 H GLN A 131 -9.901 9.838 -9.689 1.00 33.15 H new ATOM 0 HA GLN A 131 -10.810 8.733 -7.198 1.00 15.32 H new ATOM 0 HB2 GLN A 131 -11.191 11.165 -8.844 1.00 25.20 H new ATOM 0 HB3 GLN A 131 -12.628 10.673 -7.971 1.00 25.20 H new ATOM 0 HG2 GLN A 131 -10.369 10.500 -6.190 1.00 12.21 H new ATOM 0 HG3 GLN A 131 -10.339 12.063 -6.982 1.00 12.21 H new ATOM 0 HE21 GLN A 131 -12.370 9.831 -5.079 1.00 63.23 H new ATOM 0 HE22 GLN A 131 -13.401 11.080 -4.372 1.00 63.23 H new ATOM 2046 N ASP A 132 -12.532 8.234 -9.934 1.00 71.11 N ATOM 2047 CA ASP A 132 -13.646 7.487 -10.506 1.00 15.44 C ATOM 2048 C ASP A 132 -13.616 6.031 -10.055 1.00 41.21 C ATOM 2049 O ASP A 132 -14.640 5.473 -9.659 1.00 65.33 O ATOM 2050 CB ASP A 132 -13.605 7.561 -12.034 1.00 53.11 C ATOM 2051 CG ASP A 132 -14.794 6.876 -12.678 1.00 74.23 C ATOM 2052 OD1 ASP A 132 -15.935 7.128 -12.237 1.00 44.51 O ATOM 2053 OD2 ASP A 132 -14.585 6.087 -13.624 1.00 61.12 O ATOM 0 H ASP A 132 -11.922 8.676 -10.622 1.00 71.11 H new ATOM 0 HA ASP A 132 -14.573 7.938 -10.151 1.00 15.44 H new ATOM 0 HB2 ASP A 132 -13.579 8.606 -12.344 1.00 53.11 H new ATOM 0 HB3 ASP A 132 -12.685 7.099 -12.393 1.00 53.11 H new ATOM 2058 N LEU A 133 -12.438 5.420 -10.118 1.00 3.23 N ATOM 2059 CA LEU A 133 -12.274 4.032 -9.720 1.00 32.15 C ATOM 2060 C LEU A 133 -12.421 3.875 -8.210 1.00 64.43 C ATOM 2061 O LEU A 133 -13.194 3.045 -7.732 1.00 2.22 O ATOM 2062 CB LEU A 133 -10.901 3.534 -10.168 1.00 2.13 C ATOM 2063 CG LEU A 133 -10.504 2.151 -9.659 1.00 62.52 C ATOM 2064 CD1 LEU A 133 -9.903 2.242 -8.265 1.00 52.20 C ATOM 2065 CD2 LEU A 133 -11.701 1.213 -9.662 1.00 61.25 C ATOM 0 H LEU A 133 -11.581 5.869 -10.443 1.00 3.23 H new ATOM 0 HA LEU A 133 -13.053 3.438 -10.198 1.00 32.15 H new ATOM 0 HB2 LEU A 133 -10.876 3.521 -11.258 1.00 2.13 H new ATOM 0 HB3 LEU A 133 -10.149 4.252 -9.840 1.00 2.13 H new ATOM 0 HG LEU A 133 -9.748 1.746 -10.332 1.00 62.52 H new ATOM 0 HD11 LEU A 133 -9.627 1.245 -7.922 1.00 52.20 H new ATOM 0 HD12 LEU A 133 -9.016 2.875 -8.292 1.00 52.20 H new ATOM 0 HD13 LEU A 133 -10.635 2.672 -7.581 1.00 52.20 H new ATOM 0 HD21 LEU A 133 -11.396 0.233 -9.296 1.00 61.25 H new ATOM 0 HD22 LEU A 133 -12.480 1.616 -9.015 1.00 61.25 H new ATOM 0 HD23 LEU A 133 -12.086 1.117 -10.677 1.00 61.25 H new ATOM 2077 N ALA A 134 -11.671 4.679 -7.468 1.00 21.33 N ATOM 2078 CA ALA A 134 -11.708 4.639 -6.010 1.00 45.35 C ATOM 2079 C ALA A 134 -13.130 4.820 -5.489 1.00 14.21 C ATOM 2080 O ALA A 134 -13.589 4.066 -4.631 1.00 54.23 O ATOM 2081 CB ALA A 134 -10.794 5.709 -5.432 1.00 63.23 C ATOM 0 H ALA A 134 -11.027 5.370 -7.853 1.00 21.33 H new ATOM 0 HA ALA A 134 -11.355 3.659 -5.689 1.00 45.35 H new ATOM 0 HB1 ALA A 134 -10.830 5.669 -4.343 1.00 63.23 H new ATOM 0 HB2 ALA A 134 -9.772 5.534 -5.768 1.00 63.23 H new ATOM 0 HB3 ALA A 134 -11.124 6.691 -5.770 1.00 63.23 H new ATOM 2087 N ARG A 135 -13.824 5.826 -6.013 1.00 71.25 N ATOM 2088 CA ARG A 135 -15.194 6.108 -5.601 1.00 60.21 C ATOM 2089 C ARG A 135 -16.105 4.915 -5.875 1.00 3.21 C ATOM 2090 O ARG A 135 -17.095 4.704 -5.175 1.00 72.53 O ATOM 2091 CB ARG A 135 -15.723 7.345 -6.328 1.00 20.21 C ATOM 2092 CG ARG A 135 -17.146 7.715 -5.943 1.00 14.33 C ATOM 2093 CD ARG A 135 -17.410 9.199 -6.141 1.00 44.45 C ATOM 2094 NE ARG A 135 -18.786 9.459 -6.559 1.00 74.02 N ATOM 2095 CZ ARG A 135 -19.256 10.670 -6.846 1.00 61.23 C ATOM 2096 NH1 ARG A 135 -18.467 11.734 -6.761 1.00 23.21 N ATOM 2097 NH2 ARG A 135 -20.520 10.819 -7.219 1.00 13.25 N ATOM 0 H ARG A 135 -13.459 6.460 -6.724 1.00 71.25 H new ATOM 0 HA ARG A 135 -15.190 6.298 -4.528 1.00 60.21 H new ATOM 0 HB2 ARG A 135 -15.067 8.189 -6.116 1.00 20.21 H new ATOM 0 HB3 ARG A 135 -15.680 7.170 -7.403 1.00 20.21 H new ATOM 0 HG2 ARG A 135 -17.848 7.136 -6.543 1.00 14.33 H new ATOM 0 HG3 ARG A 135 -17.323 7.449 -4.901 1.00 14.33 H new ATOM 0 HD2 ARG A 135 -17.207 9.731 -5.211 1.00 44.45 H new ATOM 0 HD3 ARG A 135 -16.723 9.593 -6.890 1.00 44.45 H new ATOM 0 HE ARG A 135 -19.423 8.666 -6.635 1.00 74.02 H new ATOM 0 HH11 ARG A 135 -17.494 11.626 -6.474 1.00 23.21 H new ATOM 0 HH12 ARG A 135 -18.834 12.660 -6.982 1.00 23.21 H new ATOM 0 HH21 ARG A 135 -21.131 10.005 -7.286 1.00 13.25 H new ATOM 0 HH22 ARG A 135 -20.881 11.747 -7.439 1.00 13.25 H new ATOM 2111 N SER A 136 -15.763 4.136 -6.897 1.00 10.24 N ATOM 2112 CA SER A 136 -16.551 2.964 -7.259 1.00 53.45 C ATOM 2113 C SER A 136 -16.262 1.800 -6.316 1.00 12.52 C ATOM 2114 O SER A 136 -17.068 0.878 -6.188 1.00 43.01 O ATOM 2115 CB SER A 136 -16.256 2.552 -8.702 1.00 4.24 C ATOM 2116 OG SER A 136 -17.061 1.454 -9.095 1.00 54.21 O ATOM 0 H SER A 136 -14.947 4.295 -7.488 1.00 10.24 H new ATOM 0 HA SER A 136 -17.606 3.225 -7.171 1.00 53.45 H new ATOM 0 HB2 SER A 136 -16.436 3.396 -9.368 1.00 4.24 H new ATOM 0 HB3 SER A 136 -15.203 2.288 -8.800 1.00 4.24 H new ATOM 0 HG SER A 136 -16.854 1.212 -10.022 1.00 54.21 H new ATOM 2122 N TYR A 137 -15.107 1.848 -5.661 1.00 70.54 N ATOM 2123 CA TYR A 137 -14.708 0.798 -4.733 1.00 22.04 C ATOM 2124 C TYR A 137 -15.218 1.084 -3.323 1.00 61.14 C ATOM 2125 O TYR A 137 -15.349 0.173 -2.505 1.00 71.34 O ATOM 2126 CB TYR A 137 -13.187 0.660 -4.724 1.00 21.14 C ATOM 2127 CG TYR A 137 -12.650 -0.115 -5.906 1.00 4.31 C ATOM 2128 CD1 TYR A 137 -13.428 -0.320 -7.040 1.00 52.12 C ATOM 2129 CD2 TYR A 137 -11.369 -0.645 -5.886 1.00 25.32 C ATOM 2130 CE1 TYR A 137 -12.945 -1.031 -8.118 1.00 54.24 C ATOM 2131 CE2 TYR A 137 -10.877 -1.359 -6.961 1.00 42.34 C ATOM 2132 CZ TYR A 137 -11.669 -1.550 -8.075 1.00 12.25 C ATOM 2133 OH TYR A 137 -11.185 -2.262 -9.147 1.00 50.14 O ATOM 0 H TYR A 137 -14.430 2.605 -5.756 1.00 70.54 H new ATOM 0 HA TYR A 137 -15.153 -0.139 -5.068 1.00 22.04 H new ATOM 0 HB2 TYR A 137 -12.739 1.654 -4.716 1.00 21.14 H new ATOM 0 HB3 TYR A 137 -12.879 0.164 -3.803 1.00 21.14 H new ATOM 0 HD1 TYR A 137 -14.429 0.085 -7.077 1.00 52.12 H new ATOM 0 HD2 TYR A 137 -10.746 -0.497 -5.016 1.00 25.32 H new ATOM 0 HE1 TYR A 137 -13.563 -1.180 -8.991 1.00 54.24 H new ATOM 0 HE2 TYR A 137 -9.877 -1.766 -6.930 1.00 42.34 H new ATOM 0 HH TYR A 137 -11.507 -1.859 -9.980 1.00 50.14 H new ATOM 2143 N GLY A 138 -15.501 2.352 -3.044 1.00 41.22 N ATOM 2144 CA GLY A 138 -15.989 2.731 -1.732 1.00 64.50 C ATOM 2145 C GLY A 138 -14.867 2.954 -0.736 1.00 11.23 C ATOM 2146 O GLY A 138 -15.098 2.976 0.473 1.00 11.42 O ATOM 0 H GLY A 138 -15.401 3.124 -3.703 1.00 41.22 H new ATOM 0 HA2 GLY A 138 -16.581 3.642 -1.818 1.00 64.50 H new ATOM 0 HA3 GLY A 138 -16.654 1.953 -1.357 1.00 64.50 H new ATOM 2150 N ILE A 139 -13.648 3.117 -1.243 1.00 32.52 N ATOM 2151 CA ILE A 139 -12.488 3.337 -0.390 1.00 30.34 C ATOM 2152 C ILE A 139 -11.933 4.747 -0.560 1.00 4.15 C ATOM 2153 O ILE A 139 -12.152 5.390 -1.587 1.00 32.22 O ATOM 2154 CB ILE A 139 -11.374 2.325 -0.681 1.00 22.45 C ATOM 2155 CG1 ILE A 139 -11.223 2.120 -2.182 1.00 64.53 C ATOM 2156 CG2 ILE A 139 -11.667 1.005 0.012 1.00 13.00 C ATOM 2157 CD1 ILE A 139 -9.973 1.367 -2.543 1.00 44.42 C ATOM 0 H ILE A 139 -13.440 3.101 -2.241 1.00 32.52 H new ATOM 0 HA ILE A 139 -12.829 3.206 0.637 1.00 30.34 H new ATOM 0 HB ILE A 139 -10.435 2.718 -0.292 1.00 22.45 H new ATOM 0 HG12 ILE A 139 -12.090 1.578 -2.559 1.00 64.53 H new ATOM 0 HG13 ILE A 139 -11.213 3.091 -2.678 1.00 64.53 H new ATOM 0 HG21 ILE A 139 -10.868 0.296 -0.203 1.00 13.00 H new ATOM 0 HG22 ILE A 139 -11.730 1.165 1.088 1.00 13.00 H new ATOM 0 HG23 ILE A 139 -12.614 0.606 -0.351 1.00 13.00 H new ATOM 0 HD11 ILE A 139 -9.918 1.251 -3.625 1.00 44.42 H new ATOM 0 HD12 ILE A 139 -9.101 1.920 -2.193 1.00 44.42 H new ATOM 0 HD13 ILE A 139 -9.992 0.384 -2.073 1.00 44.42 H new ATOM 2169 N PRO A 140 -11.202 5.249 0.449 1.00 33.44 N ATOM 2170 CA PRO A 140 -10.614 6.590 0.406 1.00 50.42 C ATOM 2171 C PRO A 140 -9.443 6.679 -0.566 1.00 12.24 C ATOM 2172 O PRO A 140 -8.720 5.705 -0.775 1.00 22.13 O ATOM 2173 CB PRO A 140 -10.133 6.813 1.841 1.00 64.25 C ATOM 2174 CG PRO A 140 -9.882 5.444 2.373 1.00 72.30 C ATOM 2175 CD PRO A 140 -10.893 4.548 1.711 1.00 63.53 C ATOM 0 HA PRO A 140 -11.329 7.336 0.060 1.00 50.42 H new ATOM 0 HB2 PRO A 140 -9.228 7.419 1.865 1.00 64.25 H new ATOM 0 HB3 PRO A 140 -10.883 7.337 2.433 1.00 64.25 H new ATOM 0 HG2 PRO A 140 -8.866 5.119 2.148 1.00 72.30 H new ATOM 0 HG3 PRO A 140 -9.991 5.421 3.457 1.00 72.30 H new ATOM 0 HD2 PRO A 140 -10.488 3.553 1.528 1.00 63.53 H new ATOM 0 HD3 PRO A 140 -11.783 4.422 2.328 1.00 63.53 H new ATOM 2183 N TYR A 141 -9.260 7.857 -1.152 1.00 3.42 N ATOM 2184 CA TYR A 141 -8.174 8.081 -2.098 1.00 55.15 C ATOM 2185 C TYR A 141 -7.243 9.178 -1.592 1.00 75.14 C ATOM 2186 O TYR A 141 -7.652 10.328 -1.432 1.00 32.45 O ATOM 2187 CB TYR A 141 -8.732 8.457 -3.474 1.00 61.04 C ATOM 2188 CG TYR A 141 -7.670 8.881 -4.464 1.00 73.22 C ATOM 2189 CD1 TYR A 141 -6.531 8.110 -4.664 1.00 11.51 C ATOM 2190 CD2 TYR A 141 -7.804 10.055 -5.195 1.00 44.42 C ATOM 2191 CE1 TYR A 141 -5.557 8.496 -5.564 1.00 14.02 C ATOM 2192 CE2 TYR A 141 -6.834 10.447 -6.098 1.00 74.44 C ATOM 2193 CZ TYR A 141 -5.713 9.665 -6.278 1.00 43.13 C ATOM 2194 OH TYR A 141 -4.745 10.053 -7.176 1.00 74.34 O ATOM 0 H TYR A 141 -9.851 8.672 -0.988 1.00 3.42 H new ATOM 0 HA TYR A 141 -7.605 7.156 -2.192 1.00 55.15 H new ATOM 0 HB2 TYR A 141 -9.276 7.605 -3.881 1.00 61.04 H new ATOM 0 HB3 TYR A 141 -9.451 9.268 -3.356 1.00 61.04 H new ATOM 0 HD1 TYR A 141 -6.405 7.194 -4.106 1.00 11.51 H new ATOM 0 HD2 TYR A 141 -8.680 10.671 -5.055 1.00 44.42 H new ATOM 0 HE1 TYR A 141 -4.678 7.885 -5.708 1.00 14.02 H new ATOM 0 HE2 TYR A 141 -6.954 11.362 -6.660 1.00 74.44 H new ATOM 0 HH TYR A 141 -5.009 10.898 -7.596 1.00 74.34 H new ATOM 2204 N ILE A 142 -5.991 8.815 -1.337 1.00 75.14 N ATOM 2205 CA ILE A 142 -5.005 9.763 -0.845 1.00 45.32 C ATOM 2206 C ILE A 142 -3.855 9.922 -1.834 1.00 1.45 C ATOM 2207 O ILE A 142 -3.550 9.007 -2.599 1.00 30.21 O ATOM 2208 CB ILE A 142 -4.445 9.319 0.519 1.00 13.22 C ATOM 2209 CG1 ILE A 142 -5.589 9.025 1.495 1.00 14.44 C ATOM 2210 CG2 ILE A 142 -3.518 10.382 1.081 1.00 61.12 C ATOM 2211 CD1 ILE A 142 -5.719 7.559 1.848 1.00 3.02 C ATOM 0 H ILE A 142 -5.636 7.867 -1.464 1.00 75.14 H new ATOM 0 HA ILE A 142 -5.509 10.722 -0.729 1.00 45.32 H new ATOM 0 HB ILE A 142 -3.871 8.403 0.379 1.00 13.22 H new ATOM 0 HG12 ILE A 142 -5.433 9.598 2.409 1.00 14.44 H new ATOM 0 HG13 ILE A 142 -6.526 9.370 1.059 1.00 14.44 H new ATOM 0 HG21 ILE A 142 -3.130 10.054 2.045 1.00 61.12 H new ATOM 0 HG22 ILE A 142 -2.689 10.543 0.392 1.00 61.12 H new ATOM 0 HG23 ILE A 142 -4.069 11.314 1.210 1.00 61.12 H new ATOM 0 HD11 ILE A 142 -6.548 7.424 2.542 1.00 3.02 H new ATOM 0 HD12 ILE A 142 -5.906 6.982 0.942 1.00 3.02 H new ATOM 0 HD13 ILE A 142 -4.796 7.214 2.314 1.00 3.02 H new ATOM 2223 N GLU A 143 -3.219 11.089 -1.814 1.00 24.33 N ATOM 2224 CA GLU A 143 -2.103 11.366 -2.710 1.00 74.53 C ATOM 2225 C GLU A 143 -0.818 11.598 -1.923 1.00 14.33 C ATOM 2226 O GLU A 143 -0.789 12.392 -0.983 1.00 64.20 O ATOM 2227 CB GLU A 143 -2.410 12.587 -3.578 1.00 31.21 C ATOM 2228 CG GLU A 143 -3.788 12.547 -4.217 1.00 41.24 C ATOM 2229 CD GLU A 143 -4.790 13.428 -3.496 1.00 32.44 C ATOM 2230 OE1 GLU A 143 -4.653 14.667 -3.571 1.00 51.53 O ATOM 2231 OE2 GLU A 143 -5.711 12.878 -2.856 1.00 54.11 O ATOM 0 H GLU A 143 -3.458 11.857 -1.187 1.00 24.33 H new ATOM 0 HA GLU A 143 -1.962 10.497 -3.353 1.00 74.53 H new ATOM 0 HB2 GLU A 143 -2.327 13.486 -2.968 1.00 31.21 H new ATOM 0 HB3 GLU A 143 -1.657 12.664 -4.362 1.00 31.21 H new ATOM 0 HG2 GLU A 143 -3.712 12.865 -5.257 1.00 41.24 H new ATOM 0 HG3 GLU A 143 -4.152 11.520 -4.224 1.00 41.24 H new ATOM 2238 N THR A 144 0.243 10.901 -2.314 1.00 12.42 N ATOM 2239 CA THR A 144 1.531 11.033 -1.645 1.00 14.15 C ATOM 2240 C THR A 144 2.674 11.049 -2.654 1.00 12.22 C ATOM 2241 O THR A 144 2.477 10.767 -3.836 1.00 15.33 O ATOM 2242 CB THR A 144 1.731 9.892 -0.647 1.00 72.42 C ATOM 2243 OG1 THR A 144 1.844 8.651 -1.321 1.00 73.20 O ATOM 2244 CG2 THR A 144 0.604 9.769 0.355 1.00 42.12 C ATOM 0 H THR A 144 0.236 10.239 -3.090 1.00 12.42 H new ATOM 0 HA THR A 144 1.535 11.981 -1.108 1.00 14.15 H new ATOM 0 HB THR A 144 2.648 10.135 -0.110 1.00 72.42 H new ATOM 0 HG1 THR A 144 1.973 7.934 -0.666 1.00 73.20 H new ATOM 0 HG21 THR A 144 0.809 8.941 1.033 1.00 42.12 H new ATOM 0 HG22 THR A 144 0.522 10.694 0.926 1.00 42.12 H new ATOM 0 HG23 THR A 144 -0.332 9.584 -0.171 1.00 42.12 H new ATOM 2252 N SER A 145 3.870 11.381 -2.178 1.00 42.31 N ATOM 2253 CA SER A 145 5.048 11.435 -3.036 1.00 33.33 C ATOM 2254 C SER A 145 6.269 10.871 -2.317 1.00 50.01 C ATOM 2255 O SER A 145 6.659 11.360 -1.257 1.00 73.44 O ATOM 2256 CB SER A 145 5.319 12.876 -3.473 1.00 73.22 C ATOM 2257 OG SER A 145 4.845 13.800 -2.509 1.00 22.00 O ATOM 0 H SER A 145 4.049 11.617 -1.202 1.00 42.31 H new ATOM 0 HA SER A 145 4.854 10.825 -3.918 1.00 33.33 H new ATOM 0 HB2 SER A 145 6.389 13.019 -3.622 1.00 73.22 H new ATOM 0 HB3 SER A 145 4.835 13.066 -4.431 1.00 73.22 H new ATOM 0 HG SER A 145 5.585 14.367 -2.208 1.00 22.00 H new ATOM 2263 N ALA A 146 6.867 9.837 -2.900 1.00 52.25 N ATOM 2264 CA ALA A 146 8.043 9.205 -2.314 1.00 34.32 C ATOM 2265 C ALA A 146 9.306 10.031 -2.554 1.00 54.22 C ATOM 2266 O ALA A 146 10.374 9.710 -2.032 1.00 34.33 O ATOM 2267 CB ALA A 146 8.217 7.801 -2.873 1.00 14.12 C ATOM 0 H ALA A 146 6.557 9.419 -3.777 1.00 52.25 H new ATOM 0 HA ALA A 146 7.887 9.146 -1.237 1.00 34.32 H new ATOM 0 HB1 ALA A 146 9.098 7.339 -2.428 1.00 14.12 H new ATOM 0 HB2 ALA A 146 7.336 7.204 -2.637 1.00 14.12 H new ATOM 0 HB3 ALA A 146 8.341 7.853 -3.955 1.00 14.12 H new ATOM 2273 N LYS A 147 9.184 11.094 -3.347 1.00 13.14 N ATOM 2274 CA LYS A 147 10.322 11.955 -3.648 1.00 11.13 C ATOM 2275 C LYS A 147 10.343 13.173 -2.729 1.00 34.23 C ATOM 2276 O LYS A 147 11.381 13.520 -2.165 1.00 71.13 O ATOM 2277 CB LYS A 147 10.274 12.404 -5.111 1.00 21.33 C ATOM 2278 CG LYS A 147 11.393 13.360 -5.495 1.00 1.00 C ATOM 2279 CD LYS A 147 12.755 12.691 -5.399 1.00 62.34 C ATOM 2280 CE LYS A 147 13.862 13.603 -5.905 1.00 60.01 C ATOM 2281 NZ LYS A 147 14.818 12.879 -6.788 1.00 42.15 N ATOM 0 H LYS A 147 8.310 11.378 -3.791 1.00 13.14 H new ATOM 0 HA LYS A 147 11.234 11.382 -3.480 1.00 11.13 H new ATOM 0 HB2 LYS A 147 10.323 11.525 -5.753 1.00 21.33 H new ATOM 0 HB3 LYS A 147 9.315 12.886 -5.303 1.00 21.33 H new ATOM 0 HG2 LYS A 147 11.234 13.719 -6.512 1.00 1.00 H new ATOM 0 HG3 LYS A 147 11.368 14.232 -4.842 1.00 1.00 H new ATOM 0 HD2 LYS A 147 12.954 12.416 -4.363 1.00 62.34 H new ATOM 0 HD3 LYS A 147 12.750 11.768 -5.979 1.00 62.34 H new ATOM 0 HE2 LYS A 147 13.423 14.437 -6.452 1.00 60.01 H new ATOM 0 HE3 LYS A 147 14.400 14.026 -5.057 1.00 60.01 H new ATOM 0 HZ1 LYS A 147 15.557 13.535 -7.112 1.00 42.15 H new ATOM 0 HZ2 LYS A 147 15.256 12.098 -6.259 1.00 42.15 H new ATOM 0 HZ3 LYS A 147 14.310 12.497 -7.611 1.00 42.15 H new ATOM 2295 N THR A 148 9.192 13.820 -2.586 1.00 43.20 N ATOM 2296 CA THR A 148 9.080 15.002 -1.738 1.00 52.02 C ATOM 2297 C THR A 148 8.584 14.640 -0.339 1.00 70.34 C ATOM 2298 O THR A 148 8.680 15.444 0.588 1.00 34.10 O ATOM 2299 CB THR A 148 8.138 16.025 -2.375 1.00 73.35 C ATOM 2300 OG1 THR A 148 6.924 15.411 -2.773 1.00 13.14 O ATOM 2301 CG2 THR A 148 8.730 16.708 -3.590 1.00 60.13 C ATOM 0 H THR A 148 8.323 13.547 -3.046 1.00 43.20 H new ATOM 0 HA THR A 148 10.075 15.438 -1.644 1.00 52.02 H new ATOM 0 HB THR A 148 7.964 16.777 -1.605 1.00 73.35 H new ATOM 0 HG1 THR A 148 6.195 16.063 -2.720 1.00 13.14 H new ATOM 0 HG21 THR A 148 8.011 17.421 -3.993 1.00 60.13 H new ATOM 0 HG22 THR A 148 9.641 17.234 -3.304 1.00 60.13 H new ATOM 0 HG23 THR A 148 8.965 15.961 -4.349 1.00 60.13 H new ATOM 2309 N ARG A 149 8.050 13.430 -0.189 1.00 54.45 N ATOM 2310 CA ARG A 149 7.540 12.978 1.100 1.00 64.13 C ATOM 2311 C ARG A 149 6.397 13.874 1.571 1.00 71.43 C ATOM 2312 O ARG A 149 6.491 14.526 2.611 1.00 53.03 O ATOM 2313 CB ARG A 149 8.662 12.967 2.142 1.00 53.33 C ATOM 2314 CG ARG A 149 8.462 11.935 3.241 1.00 60.31 C ATOM 2315 CD ARG A 149 9.239 12.298 4.497 1.00 73.12 C ATOM 2316 NE ARG A 149 8.400 12.249 5.692 1.00 13.12 N ATOM 2317 CZ ARG A 149 7.552 13.212 6.043 1.00 14.12 C ATOM 2318 NH1 ARG A 149 7.427 14.301 5.294 1.00 64.54 N ATOM 2319 NH2 ARG A 149 6.827 13.087 7.146 1.00 42.22 N ATOM 0 H ARG A 149 7.960 12.748 -0.942 1.00 54.45 H new ATOM 0 HA ARG A 149 7.159 11.964 0.980 1.00 64.13 H new ATOM 0 HB2 ARG A 149 9.610 12.773 1.641 1.00 53.33 H new ATOM 0 HB3 ARG A 149 8.737 13.956 2.593 1.00 53.33 H new ATOM 0 HG2 ARG A 149 7.401 11.856 3.479 1.00 60.31 H new ATOM 0 HG3 ARG A 149 8.782 10.956 2.884 1.00 60.31 H new ATOM 0 HD2 ARG A 149 10.078 11.613 4.615 1.00 73.12 H new ATOM 0 HD3 ARG A 149 9.657 13.299 4.388 1.00 73.12 H new ATOM 0 HE ARG A 149 8.468 11.428 6.293 1.00 13.12 H new ATOM 0 HH11 ARG A 149 7.983 14.402 4.445 1.00 64.54 H new ATOM 0 HH12 ARG A 149 6.775 15.036 5.568 1.00 64.54 H new ATOM 0 HH21 ARG A 149 6.920 12.253 7.725 1.00 42.22 H new ATOM 0 HH22 ARG A 149 6.177 13.825 7.415 1.00 42.22 H new ATOM 2333 N GLN A 150 5.320 13.903 0.794 1.00 1.14 N ATOM 2334 CA GLN A 150 4.159 14.721 1.123 1.00 31.21 C ATOM 2335 C GLN A 150 2.926 13.852 1.356 1.00 61.04 C ATOM 2336 O GLN A 150 2.479 13.141 0.457 1.00 61.43 O ATOM 2337 CB GLN A 150 3.889 15.725 0.000 1.00 32.20 C ATOM 2338 CG GLN A 150 2.636 16.562 0.210 1.00 23.55 C ATOM 2339 CD GLN A 150 2.850 18.023 -0.122 1.00 33.23 C ATOM 2340 OE1 GLN A 150 2.846 18.881 0.760 1.00 22.14 O ATOM 2341 NE2 GLN A 150 3.036 18.312 -1.403 1.00 50.43 N ATOM 0 H GLN A 150 5.227 13.368 -0.070 1.00 1.14 H new ATOM 0 HA GLN A 150 4.373 15.263 2.044 1.00 31.21 H new ATOM 0 HB2 GLN A 150 4.747 16.390 -0.093 1.00 32.20 H new ATOM 0 HB3 GLN A 150 3.800 15.185 -0.943 1.00 32.20 H new ATOM 0 HG2 GLN A 150 1.831 16.166 -0.410 1.00 23.55 H new ATOM 0 HG3 GLN A 150 2.313 16.472 1.247 1.00 23.55 H new ATOM 0 HE21 GLN A 150 3.031 17.567 -2.100 1.00 50.43 H new ATOM 0 HE22 GLN A 150 3.184 19.279 -1.691 1.00 50.43 H new ATOM 2350 N GLY A 151 2.381 13.917 2.566 1.00 73.13 N ATOM 2351 CA GLY A 151 1.203 13.134 2.894 1.00 0.14 C ATOM 2352 C GLY A 151 1.461 11.638 2.871 1.00 34.53 C ATOM 2353 O GLY A 151 0.522 10.843 2.877 1.00 53.12 O ATOM 0 H GLY A 151 2.734 14.498 3.326 1.00 73.13 H new ATOM 0 HA2 GLY A 151 0.847 13.421 3.883 1.00 0.14 H new ATOM 0 HA3 GLY A 151 0.407 13.371 2.188 1.00 0.14 H new ATOM 2357 N VAL A 152 2.734 11.252 2.849 1.00 13.34 N ATOM 2358 CA VAL A 152 3.113 9.853 2.829 1.00 43.42 C ATOM 2359 C VAL A 152 2.453 9.082 3.970 1.00 43.54 C ATOM 2360 O VAL A 152 1.691 8.143 3.739 1.00 1.23 O ATOM 2361 CB VAL A 152 4.640 9.714 2.934 1.00 63.03 C ATOM 2362 CG1 VAL A 152 5.047 8.261 2.830 1.00 1.45 C ATOM 2363 CG2 VAL A 152 5.326 10.546 1.861 1.00 14.25 C ATOM 0 H VAL A 152 3.522 11.899 2.845 1.00 13.34 H new ATOM 0 HA VAL A 152 2.771 9.431 1.884 1.00 43.42 H new ATOM 0 HB VAL A 152 4.956 10.088 3.908 1.00 63.03 H new ATOM 0 HG11 VAL A 152 6.131 8.181 2.906 1.00 1.45 H new ATOM 0 HG12 VAL A 152 4.583 7.695 3.638 1.00 1.45 H new ATOM 0 HG13 VAL A 152 4.720 7.859 1.871 1.00 1.45 H new ATOM 0 HG21 VAL A 152 6.407 10.436 1.950 1.00 14.25 H new ATOM 0 HG22 VAL A 152 5.007 10.205 0.876 1.00 14.25 H new ATOM 0 HG23 VAL A 152 5.057 11.595 1.986 1.00 14.25 H new ATOM 2373 N GLU A 153 2.750 9.487 5.201 1.00 44.13 N ATOM 2374 CA GLU A 153 2.185 8.835 6.376 1.00 13.21 C ATOM 2375 C GLU A 153 0.666 8.966 6.391 1.00 50.00 C ATOM 2376 O GLU A 153 -0.042 8.064 6.837 1.00 60.32 O ATOM 2377 CB GLU A 153 2.772 9.441 7.651 1.00 12.05 C ATOM 2378 CG GLU A 153 4.278 9.277 7.761 1.00 40.33 C ATOM 2379 CD GLU A 153 5.037 10.457 7.186 1.00 61.12 C ATOM 2380 OE1 GLU A 153 4.432 11.541 7.046 1.00 3.32 O ATOM 2381 OE2 GLU A 153 6.236 10.298 6.875 1.00 65.41 O ATOM 0 H GLU A 153 3.378 10.263 5.410 1.00 44.13 H new ATOM 0 HA GLU A 153 2.441 7.776 6.333 1.00 13.21 H new ATOM 0 HB2 GLU A 153 2.526 10.502 7.686 1.00 12.05 H new ATOM 0 HB3 GLU A 153 2.299 8.976 8.516 1.00 12.05 H new ATOM 0 HG2 GLU A 153 4.550 9.150 8.809 1.00 40.33 H new ATOM 0 HG3 GLU A 153 4.580 8.368 7.241 1.00 40.33 H new ATOM 2388 N ASP A 154 0.173 10.097 5.896 1.00 35.25 N ATOM 2389 CA ASP A 154 -1.264 10.353 5.848 1.00 14.52 C ATOM 2390 C ASP A 154 -2.001 9.202 5.168 1.00 60.34 C ATOM 2391 O ASP A 154 -3.126 8.866 5.538 1.00 50.10 O ATOM 2392 CB ASP A 154 -1.545 11.663 5.109 1.00 31.54 C ATOM 2393 CG ASP A 154 -2.548 12.535 5.838 1.00 15.12 C ATOM 2394 OD1 ASP A 154 -3.761 12.254 5.740 1.00 34.43 O ATOM 2395 OD2 ASP A 154 -2.121 13.499 6.508 1.00 21.33 O ATOM 0 H ASP A 154 0.748 10.852 5.522 1.00 35.25 H new ATOM 0 HA ASP A 154 -1.627 10.437 6.872 1.00 14.52 H new ATOM 0 HB2 ASP A 154 -0.613 12.213 4.984 1.00 31.54 H new ATOM 0 HB3 ASP A 154 -1.920 11.440 4.110 1.00 31.54 H new ATOM 2400 N ALA A 155 -1.356 8.602 4.173 1.00 53.34 N ATOM 2401 CA ALA A 155 -1.945 7.488 3.441 1.00 22.24 C ATOM 2402 C ALA A 155 -1.915 6.210 4.273 1.00 43.14 C ATOM 2403 O ALA A 155 -2.901 5.475 4.337 1.00 61.32 O ATOM 2404 CB ALA A 155 -1.215 7.283 2.122 1.00 75.03 C ATOM 0 H ALA A 155 -0.424 8.869 3.855 1.00 53.34 H new ATOM 0 HA ALA A 155 -2.988 7.728 3.232 1.00 22.24 H new ATOM 0 HB1 ALA A 155 -1.664 6.448 1.584 1.00 75.03 H new ATOM 0 HB2 ALA A 155 -1.293 8.187 1.519 1.00 75.03 H new ATOM 0 HB3 ALA A 155 -0.165 7.066 2.317 1.00 75.03 H new ATOM 2410 N PHE A 156 -0.777 5.953 4.910 1.00 14.45 N ATOM 2411 CA PHE A 156 -0.615 4.765 5.740 1.00 1.55 C ATOM 2412 C PHE A 156 -1.569 4.795 6.930 1.00 3.21 C ATOM 2413 O PHE A 156 -2.292 3.831 7.184 1.00 35.30 O ATOM 2414 CB PHE A 156 0.828 4.660 6.237 1.00 3.04 C ATOM 2415 CG PHE A 156 1.801 4.216 5.181 1.00 41.02 C ATOM 2416 CD1 PHE A 156 1.790 2.912 4.714 1.00 60.11 C ATOM 2417 CD2 PHE A 156 2.728 5.104 4.659 1.00 32.42 C ATOM 2418 CE1 PHE A 156 2.685 2.501 3.744 1.00 41.42 C ATOM 2419 CE2 PHE A 156 3.626 4.699 3.689 1.00 31.12 C ATOM 2420 CZ PHE A 156 3.604 3.396 3.231 1.00 64.40 C ATOM 0 H PHE A 156 0.047 6.552 4.867 1.00 14.45 H new ATOM 0 HA PHE A 156 -0.850 3.893 5.130 1.00 1.55 H new ATOM 0 HB2 PHE A 156 1.142 5.630 6.622 1.00 3.04 H new ATOM 0 HB3 PHE A 156 0.865 3.959 7.071 1.00 3.04 H new ATOM 0 HD1 PHE A 156 1.074 2.208 5.112 1.00 60.11 H new ATOM 0 HD2 PHE A 156 2.749 6.124 5.014 1.00 32.42 H new ATOM 0 HE1 PHE A 156 2.666 1.482 3.388 1.00 41.42 H new ATOM 0 HE2 PHE A 156 4.344 5.400 3.290 1.00 31.12 H new ATOM 0 HZ PHE A 156 4.304 3.077 2.473 1.00 64.40 H new ATOM 2430 N TYR A 157 -1.563 5.907 7.659 1.00 24.03 N ATOM 2431 CA TYR A 157 -2.425 6.067 8.827 1.00 14.45 C ATOM 2432 C TYR A 157 -3.888 5.820 8.471 1.00 23.52 C ATOM 2433 O TYR A 157 -4.671 5.368 9.307 1.00 14.13 O ATOM 2434 CB TYR A 157 -2.262 7.470 9.416 1.00 64.34 C ATOM 2435 CG TYR A 157 -1.132 7.586 10.416 1.00 73.23 C ATOM 2436 CD1 TYR A 157 0.057 6.889 10.235 1.00 63.11 C ATOM 2437 CD2 TYR A 157 -1.255 8.393 11.540 1.00 43.11 C ATOM 2438 CE1 TYR A 157 1.090 6.993 11.147 1.00 50.05 C ATOM 2439 CE2 TYR A 157 -0.226 8.503 12.455 1.00 10.32 C ATOM 2440 CZ TYR A 157 0.944 7.801 12.255 1.00 30.25 C ATOM 2441 OH TYR A 157 1.971 7.908 13.164 1.00 64.34 O ATOM 0 H TYR A 157 -0.970 6.713 7.461 1.00 24.03 H new ATOM 0 HA TYR A 157 -2.125 5.328 9.570 1.00 14.45 H new ATOM 0 HB2 TYR A 157 -2.090 8.177 8.604 1.00 64.34 H new ATOM 0 HB3 TYR A 157 -3.194 7.761 9.900 1.00 64.34 H new ATOM 0 HD1 TYR A 157 0.175 6.256 9.368 1.00 63.11 H new ATOM 0 HD2 TYR A 157 -2.170 8.943 11.701 1.00 43.11 H new ATOM 0 HE1 TYR A 157 2.007 6.444 10.993 1.00 50.05 H new ATOM 0 HE2 TYR A 157 -0.337 9.136 13.323 1.00 10.32 H new ATOM 0 HH TYR A 157 1.707 8.517 13.885 1.00 64.34 H new ATOM 2451 N THR A 158 -4.251 6.119 7.228 1.00 53.02 N ATOM 2452 CA THR A 158 -5.616 5.931 6.764 1.00 24.55 C ATOM 2453 C THR A 158 -6.046 4.473 6.902 1.00 32.52 C ATOM 2454 O THR A 158 -7.216 4.183 7.152 1.00 53.53 O ATOM 2455 CB THR A 158 -5.733 6.374 5.307 1.00 23.45 C ATOM 2456 OG1 THR A 158 -5.305 7.716 5.155 1.00 55.40 O ATOM 2457 CG2 THR A 158 -7.139 6.277 4.768 1.00 52.11 C ATOM 0 H THR A 158 -3.615 6.493 6.524 1.00 53.02 H new ATOM 0 HA THR A 158 -6.276 6.540 7.382 1.00 24.55 H new ATOM 0 HB THR A 158 -5.096 5.692 4.744 1.00 23.45 H new ATOM 0 HG1 THR A 158 -4.326 7.747 5.142 1.00 55.40 H new ATOM 0 HG21 THR A 158 -7.154 6.606 3.729 1.00 52.11 H new ATOM 0 HG22 THR A 158 -7.480 5.244 4.826 1.00 52.11 H new ATOM 0 HG23 THR A 158 -7.800 6.911 5.359 1.00 52.11 H new ATOM 2465 N LEU A 159 -5.093 3.562 6.738 1.00 51.24 N ATOM 2466 CA LEU A 159 -5.374 2.135 6.845 1.00 41.14 C ATOM 2467 C LEU A 159 -5.603 1.731 8.298 1.00 42.32 C ATOM 2468 O LEU A 159 -6.492 0.936 8.599 1.00 71.52 O ATOM 2469 CB LEU A 159 -4.222 1.322 6.251 1.00 1.54 C ATOM 2470 CG LEU A 159 -4.414 -0.196 6.284 1.00 2.54 C ATOM 2471 CD1 LEU A 159 -5.753 -0.580 5.672 1.00 41.25 C ATOM 2472 CD2 LEU A 159 -3.274 -0.891 5.554 1.00 14.51 C ATOM 0 H LEU A 159 -4.120 3.786 6.531 1.00 51.24 H new ATOM 0 HA LEU A 159 -6.284 1.926 6.283 1.00 41.14 H new ATOM 0 HB2 LEU A 159 -4.075 1.632 5.216 1.00 1.54 H new ATOM 0 HB3 LEU A 159 -3.308 1.569 6.791 1.00 1.54 H new ATOM 0 HG LEU A 159 -4.408 -0.522 7.324 1.00 2.54 H new ATOM 0 HD11 LEU A 159 -5.871 -1.663 5.705 1.00 41.25 H new ATOM 0 HD12 LEU A 159 -6.559 -0.110 6.236 1.00 41.25 H new ATOM 0 HD13 LEU A 159 -5.790 -0.242 4.636 1.00 41.25 H new ATOM 0 HD21 LEU A 159 -3.425 -1.970 5.586 1.00 14.51 H new ATOM 0 HD22 LEU A 159 -3.251 -0.559 4.516 1.00 14.51 H new ATOM 0 HD23 LEU A 159 -2.328 -0.643 6.036 1.00 14.51 H new ATOM 2484 N VAL A 160 -4.793 2.284 9.195 1.00 13.50 N ATOM 2485 CA VAL A 160 -4.904 1.983 10.618 1.00 41.24 C ATOM 2486 C VAL A 160 -6.321 2.232 11.128 1.00 25.42 C ATOM 2487 O VAL A 160 -6.878 1.417 11.864 1.00 30.33 O ATOM 2488 CB VAL A 160 -3.913 2.825 11.445 1.00 41.22 C ATOM 2489 CG1 VAL A 160 -3.966 2.432 12.913 1.00 4.41 C ATOM 2490 CG2 VAL A 160 -2.503 2.676 10.896 1.00 34.01 C ATOM 0 H VAL A 160 -4.051 2.944 8.961 1.00 13.50 H new ATOM 0 HA VAL A 160 -4.663 0.927 10.739 1.00 41.24 H new ATOM 0 HB VAL A 160 -4.203 3.873 11.366 1.00 41.22 H new ATOM 0 HG11 VAL A 160 -3.258 3.039 13.478 1.00 4.41 H new ATOM 0 HG12 VAL A 160 -4.973 2.596 13.297 1.00 4.41 H new ATOM 0 HG13 VAL A 160 -3.705 1.379 13.017 1.00 4.41 H new ATOM 0 HG21 VAL A 160 -1.815 3.277 11.491 1.00 34.01 H new ATOM 0 HG22 VAL A 160 -2.203 1.629 10.942 1.00 34.01 H new ATOM 0 HG23 VAL A 160 -2.478 3.015 9.860 1.00 34.01 H new ATOM 2500 N ARG A 161 -6.898 3.363 10.735 1.00 4.13 N ATOM 2501 CA ARG A 161 -8.249 3.717 11.155 1.00 22.23 C ATOM 2502 C ARG A 161 -9.280 2.792 10.515 1.00 64.02 C ATOM 2503 O ARG A 161 -10.249 2.388 11.158 1.00 33.32 O ATOM 2504 CB ARG A 161 -8.552 5.173 10.792 1.00 32.42 C ATOM 2505 CG ARG A 161 -9.122 5.981 11.946 1.00 4.35 C ATOM 2506 CD ARG A 161 -8.857 7.469 11.773 1.00 52.25 C ATOM 2507 NE ARG A 161 -8.057 8.014 12.867 1.00 43.02 N ATOM 2508 CZ ARG A 161 -8.478 8.087 14.128 1.00 62.35 C ATOM 2509 NH1 ARG A 161 -9.687 7.652 14.458 1.00 13.54 N ATOM 2510 NH2 ARG A 161 -7.686 8.597 15.061 1.00 12.14 N ATOM 0 H ARG A 161 -6.452 4.049 10.127 1.00 4.13 H new ATOM 0 HA ARG A 161 -8.309 3.600 12.237 1.00 22.23 H new ATOM 0 HB2 ARG A 161 -7.636 5.650 10.443 1.00 32.42 H new ATOM 0 HB3 ARG A 161 -9.258 5.193 9.962 1.00 32.42 H new ATOM 0 HG2 ARG A 161 -10.196 5.808 12.017 1.00 4.35 H new ATOM 0 HG3 ARG A 161 -8.682 5.639 12.883 1.00 4.35 H new ATOM 0 HD2 ARG A 161 -8.341 7.638 10.828 1.00 52.25 H new ATOM 0 HD3 ARG A 161 -9.806 8.002 11.718 1.00 52.25 H new ATOM 0 HE ARG A 161 -7.121 8.359 12.652 1.00 43.02 H new ATOM 0 HH11 ARG A 161 -10.300 7.259 13.744 1.00 13.54 H new ATOM 0 HH12 ARG A 161 -10.004 7.711 15.426 1.00 13.54 H new ATOM 0 HH21 ARG A 161 -6.756 8.933 14.812 1.00 12.14 H new ATOM 0 HH22 ARG A 161 -8.007 8.654 16.027 1.00 12.14 H new ATOM 2524 N GLU A 162 -9.065 2.460 9.246 1.00 43.34 N ATOM 2525 CA GLU A 162 -9.977 1.583 8.520 1.00 1.01 C ATOM 2526 C GLU A 162 -10.025 0.197 9.157 1.00 10.05 C ATOM 2527 O GLU A 162 -11.096 -0.298 9.508 1.00 4.30 O ATOM 2528 CB GLU A 162 -9.551 1.470 7.055 1.00 30.24 C ATOM 2529 CG GLU A 162 -10.229 2.482 6.146 1.00 1.33 C ATOM 2530 CD GLU A 162 -11.738 2.333 6.131 1.00 44.22 C ATOM 2531 OE1 GLU A 162 -12.236 1.400 5.467 1.00 33.00 O ATOM 2532 OE2 GLU A 162 -12.422 3.149 6.784 1.00 72.42 O ATOM 0 H GLU A 162 -8.268 2.785 8.699 1.00 43.34 H new ATOM 0 HA GLU A 162 -10.975 2.019 8.569 1.00 1.01 H new ATOM 0 HB2 GLU A 162 -8.471 1.600 6.988 1.00 30.24 H new ATOM 0 HB3 GLU A 162 -9.774 0.465 6.697 1.00 30.24 H new ATOM 0 HG2 GLU A 162 -9.970 3.489 6.473 1.00 1.33 H new ATOM 0 HG3 GLU A 162 -9.846 2.368 5.132 1.00 1.33 H new ATOM 2539 N ILE A 163 -8.859 -0.424 9.306 1.00 45.41 N ATOM 2540 CA ILE A 163 -8.765 -1.747 9.899 1.00 75.01 C ATOM 2541 C ILE A 163 -9.389 -1.772 11.293 1.00 52.43 C ATOM 2542 O ILE A 163 -10.105 -2.709 11.646 1.00 41.52 O ATOM 2543 CB ILE A 163 -7.297 -2.199 9.986 1.00 13.21 C ATOM 2544 CG1 ILE A 163 -6.676 -2.239 8.592 1.00 53.02 C ATOM 2545 CG2 ILE A 163 -7.196 -3.560 10.651 1.00 11.41 C ATOM 2546 CD1 ILE A 163 -5.258 -2.756 8.582 1.00 23.43 C ATOM 0 H ILE A 163 -7.964 -0.027 9.022 1.00 45.41 H new ATOM 0 HA ILE A 163 -9.316 -2.434 9.257 1.00 75.01 H new ATOM 0 HB ILE A 163 -6.747 -1.480 10.594 1.00 13.21 H new ATOM 0 HG12 ILE A 163 -7.289 -2.869 7.947 1.00 53.02 H new ATOM 0 HG13 ILE A 163 -6.692 -1.236 8.166 1.00 53.02 H new ATOM 0 HG21 ILE A 163 -6.150 -3.863 10.703 1.00 11.41 H new ATOM 0 HG22 ILE A 163 -7.609 -3.504 11.658 1.00 11.41 H new ATOM 0 HG23 ILE A 163 -7.757 -4.292 10.069 1.00 11.41 H new ATOM 0 HD11 ILE A 163 -4.879 -2.758 7.560 1.00 23.43 H new ATOM 0 HD12 ILE A 163 -4.632 -2.113 9.201 1.00 23.43 H new ATOM 0 HD13 ILE A 163 -5.238 -3.771 8.978 1.00 23.43 H new ATOM 2558 N ARG A 164 -9.110 -0.737 12.079 1.00 21.10 N ATOM 2559 CA ARG A 164 -9.643 -0.639 13.434 1.00 74.12 C ATOM 2560 C ARG A 164 -11.167 -0.710 13.428 1.00 23.54 C ATOM 2561 O ARG A 164 -11.767 -1.446 14.211 1.00 43.14 O ATOM 2562 CB ARG A 164 -9.186 0.665 14.092 1.00 50.11 C ATOM 2563 CG ARG A 164 -7.776 0.599 14.659 1.00 64.35 C ATOM 2564 CD ARG A 164 -7.753 0.918 16.145 1.00 43.03 C ATOM 2565 NE ARG A 164 -7.971 -0.272 16.964 1.00 63.11 N ATOM 2566 CZ ARG A 164 -8.120 -0.244 18.286 1.00 11.22 C ATOM 2567 NH1 ARG A 164 -8.075 0.909 18.942 1.00 12.35 N ATOM 2568 NH2 ARG A 164 -8.315 -1.373 18.954 1.00 44.55 N ATOM 0 H ARG A 164 -8.518 0.046 11.801 1.00 21.10 H new ATOM 0 HA ARG A 164 -9.260 -1.483 14.008 1.00 74.12 H new ATOM 0 HB2 ARG A 164 -9.236 1.470 13.358 1.00 50.11 H new ATOM 0 HB3 ARG A 164 -9.879 0.920 14.893 1.00 50.11 H new ATOM 0 HG2 ARG A 164 -7.363 -0.396 14.494 1.00 64.35 H new ATOM 0 HG3 ARG A 164 -7.136 1.302 14.126 1.00 64.35 H new ATOM 0 HD2 ARG A 164 -6.794 1.366 16.405 1.00 43.03 H new ATOM 0 HD3 ARG A 164 -8.522 1.658 16.369 1.00 43.03 H new ATOM 0 HE ARG A 164 -8.011 -1.177 16.495 1.00 63.11 H new ATOM 0 HH11 ARG A 164 -7.926 1.780 18.433 1.00 12.35 H new ATOM 0 HH12 ARG A 164 -8.190 0.924 19.955 1.00 12.35 H new ATOM 0 HH21 ARG A 164 -8.351 -2.262 18.454 1.00 44.55 H new ATOM 0 HH22 ARG A 164 -8.429 -1.353 19.967 1.00 44.55 H new ATOM 2582 N GLN A 165 -11.787 0.058 12.539 1.00 44.14 N ATOM 2583 CA GLN A 165 -13.241 0.081 12.430 1.00 43.14 C ATOM 2584 C GLN A 165 -13.773 -1.276 11.981 1.00 63.30 C ATOM 2585 O GLN A 165 -14.756 -1.780 12.524 1.00 32.24 O ATOM 2586 CB GLN A 165 -13.684 1.166 11.448 1.00 55.55 C ATOM 2587 CG GLN A 165 -13.597 2.574 12.015 1.00 20.00 C ATOM 2588 CD GLN A 165 -14.217 3.611 11.099 1.00 63.24 C ATOM 2589 OE1 GLN A 165 -15.427 3.837 11.128 1.00 4.02 O ATOM 2590 NE2 GLN A 165 -13.389 4.247 10.279 1.00 21.44 N ATOM 0 H GLN A 165 -11.305 0.673 11.883 1.00 44.14 H new ATOM 0 HA GLN A 165 -13.651 0.305 13.415 1.00 43.14 H new ATOM 0 HB2 GLN A 165 -13.067 1.106 10.551 1.00 55.55 H new ATOM 0 HB3 GLN A 165 -14.712 0.970 11.142 1.00 55.55 H new ATOM 0 HG2 GLN A 165 -14.098 2.604 12.983 1.00 20.00 H new ATOM 0 HG3 GLN A 165 -12.551 2.827 12.189 1.00 20.00 H new ATOM 0 HE21 GLN A 165 -12.393 4.028 10.289 1.00 21.44 H new ATOM 0 HE22 GLN A 165 -13.749 4.955 9.639 1.00 21.44 H new ATOM 2599 N HIS A 166 -13.117 -1.862 10.985 1.00 12.32 N ATOM 2600 CA HIS A 166 -13.523 -3.160 10.461 1.00 20.14 C ATOM 2601 C HIS A 166 -12.564 -4.255 10.920 1.00 71.45 C ATOM 2602 O HIS A 166 -12.814 -4.849 11.991 1.00 51.30 O ATOM 2603 CB HIS A 166 -13.582 -3.120 8.932 1.00 55.42 C ATOM 2604 CG HIS A 166 -14.956 -3.344 8.381 1.00 61.30 C ATOM 2605 ND1 HIS A 166 -15.747 -2.325 7.891 1.00 52.11 N ATOM 2606 CD2 HIS A 166 -15.682 -4.480 8.243 1.00 61.00 C ATOM 2607 CE1 HIS A 166 -16.898 -2.824 7.478 1.00 11.12 C ATOM 2608 NE2 HIS A 166 -16.884 -4.128 7.679 1.00 43.04 N ATOM 2609 OXT HIS A 166 -11.573 -4.510 10.205 1.00 53.14 O ATOM 0 H HIS A 166 -12.301 -1.458 10.525 1.00 12.32 H new ATOM 0 HA HIS A 166 -14.516 -3.388 10.848 1.00 20.14 H new ATOM 0 HB2 HIS A 166 -13.214 -2.154 8.587 1.00 55.42 H new ATOM 0 HB3 HIS A 166 -12.910 -3.879 8.530 1.00 55.42 H new ATOM 0 HD2 HIS A 166 -15.373 -5.476 8.524 1.00 61.00 H new ATOM 0 HE1 HIS A 166 -17.713 -2.260 7.048 1.00 11.12 H new ATOM 0 HE2 HIS A 166 -17.643 -4.771 7.452 1.00 43.04 H new