USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 24 LYS NZ :NH3+ 149:sc= 0.895 (180deg=0) USER MOD Set 1.2: A 46 ASN : amide:sc= 0.388 K(o=1.3,f=-4.9) USER MOD Set 2.1: A 31 THR OG1 : rot -162:sc= -1.07 USER MOD Set 2.2: A 37 GLN : amide:sc= -1.05 K(o=-2.1,f=-2.7!) USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0.034 USER MOD Set 3.2: A 17 HIS : no HD1:sc= 0 X(o=0.034,f=0.032) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.5! C(o=-1.5!,f=-2.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 33 ASN : amide:sc= -5.21! C(o=-5.2!,f=-6.6!) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.00172 (180deg=0.00164) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.665 F(o=-1.7!,f=-0.67) USER MOD Single : A 48 GLN : amide:sc= -1.48 K(o=-1.5,f=-3.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0786 (180deg=-0.354) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0863 F(o=-1.8!,f=-0.086) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= 0.0451 (180deg=0.00152) USER MOD Single : A 67 ASN : amide:sc= 0.995 K(o=1,f=-0.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -19.650 -8.634 9.034 1.00 71.52 N ATOM 2 CA LYS A 1 -19.962 -9.831 8.256 1.00 45.52 C ATOM 3 C LYS A 1 -18.722 -10.375 7.601 1.00 40.02 C ATOM 4 O LYS A 1 -17.923 -9.610 7.040 1.00 51.35 O ATOM 5 CB LYS A 1 -20.947 -9.525 7.129 1.00 61.22 C ATOM 6 CG LYS A 1 -22.328 -9.064 7.528 1.00 12.22 C ATOM 7 CD LYS A 1 -23.151 -8.865 6.267 1.00 0.41 C ATOM 8 CE LYS A 1 -24.579 -8.460 6.549 1.00 32.53 C ATOM 9 NZ LYS A 1 -25.337 -8.283 5.289 1.00 73.51 N ATOM 0 H1 LYS A 1 -20.518 -8.273 9.479 1.00 71.52 H new ATOM 0 H2 LYS A 1 -18.956 -8.870 9.771 1.00 71.52 H new ATOM 0 H3 LYS A 1 -19.254 -7.906 8.406 1.00 71.52 H new ATOM 0 HA LYS A 1 -20.391 -10.549 8.955 1.00 45.52 H new ATOM 0 HB2 LYS A 1 -20.505 -8.758 6.493 1.00 61.22 H new ATOM 0 HB3 LYS A 1 -21.053 -10.423 6.520 1.00 61.22 H new ATOM 0 HG2 LYS A 1 -22.801 -9.801 8.177 1.00 12.22 H new ATOM 0 HG3 LYS A 1 -22.269 -8.134 8.093 1.00 12.22 H new ATOM 0 HD2 LYS A 1 -22.679 -8.102 5.649 1.00 0.41 H new ATOM 0 HD3 LYS A 1 -23.149 -9.789 5.689 1.00 0.41 H new ATOM 0 HE2 LYS A 1 -25.062 -9.219 7.165 1.00 32.53 H new ATOM 0 HE3 LYS A 1 -24.592 -7.531 7.119 1.00 32.53 H new ATOM 0 HZ1 LYS A 1 -26.315 -8.005 5.508 1.00 73.51 H new ATOM 0 HZ2 LYS A 1 -24.887 -7.542 4.714 1.00 73.51 H new ATOM 0 HZ3 LYS A 1 -25.342 -9.177 4.758 1.00 73.51 H new ATOM 25 N PRO A 2 -18.510 -11.691 7.660 1.00 71.13 N ATOM 26 CA PRO A 2 -17.474 -12.326 6.903 1.00 60.24 C ATOM 27 C PRO A 2 -18.012 -12.646 5.514 1.00 54.51 C ATOM 28 O PRO A 2 -18.851 -13.542 5.355 1.00 74.22 O ATOM 29 CB PRO A 2 -17.169 -13.623 7.678 1.00 52.53 C ATOM 30 CG PRO A 2 -18.197 -13.707 8.774 1.00 2.22 C ATOM 31 CD PRO A 2 -19.239 -12.661 8.487 1.00 23.31 C ATOM 0 HA PRO A 2 -16.583 -11.710 6.782 1.00 60.24 H new ATOM 0 HB2 PRO A 2 -17.227 -14.492 7.022 1.00 52.53 H new ATOM 0 HB3 PRO A 2 -16.160 -13.602 8.091 1.00 52.53 H new ATOM 0 HG2 PRO A 2 -18.646 -14.700 8.805 1.00 2.22 H new ATOM 0 HG3 PRO A 2 -17.737 -13.535 9.747 1.00 2.22 H new ATOM 0 HD2 PRO A 2 -20.096 -13.079 7.959 1.00 23.31 H new ATOM 0 HD3 PRO A 2 -19.619 -12.207 9.402 1.00 23.31 H new ATOM 39 N VAL A 3 -17.593 -11.889 4.529 1.00 30.43 N ATOM 40 CA VAL A 3 -18.083 -12.088 3.185 1.00 2.51 C ATOM 41 C VAL A 3 -17.401 -13.287 2.560 1.00 55.14 C ATOM 42 O VAL A 3 -16.226 -13.205 2.139 1.00 1.43 O ATOM 43 CB VAL A 3 -17.904 -10.835 2.293 1.00 13.13 C ATOM 44 CG1 VAL A 3 -18.468 -11.081 0.897 1.00 51.11 C ATOM 45 CG2 VAL A 3 -18.573 -9.626 2.931 1.00 62.45 C ATOM 0 H VAL A 3 -16.917 -11.132 4.631 1.00 30.43 H new ATOM 0 HA VAL A 3 -19.155 -12.272 3.254 1.00 2.51 H new ATOM 0 HB VAL A 3 -16.837 -10.632 2.200 1.00 13.13 H new ATOM 0 HG11 VAL A 3 -18.332 -10.188 0.287 1.00 51.11 H new ATOM 0 HG12 VAL A 3 -17.945 -11.919 0.436 1.00 51.11 H new ATOM 0 HG13 VAL A 3 -19.531 -11.312 0.969 1.00 51.11 H new ATOM 0 HG21 VAL A 3 -18.437 -8.755 2.290 1.00 62.45 H new ATOM 0 HG22 VAL A 3 -19.638 -9.823 3.055 1.00 62.45 H new ATOM 0 HG23 VAL A 3 -18.124 -9.434 3.905 1.00 62.45 H new ATOM 55 N SER A 4 -18.127 -14.406 2.556 1.00 35.22 N ATOM 56 CA SER A 4 -17.676 -15.678 2.021 1.00 21.43 C ATOM 57 C SER A 4 -16.515 -16.266 2.856 1.00 73.25 C ATOM 58 O SER A 4 -15.895 -15.574 3.694 1.00 42.32 O ATOM 59 CB SER A 4 -17.262 -15.510 0.550 1.00 3.42 C ATOM 60 OG SER A 4 -18.322 -14.926 -0.209 1.00 5.30 O ATOM 0 H SER A 4 -19.072 -14.446 2.938 1.00 35.22 H new ATOM 0 HA SER A 4 -18.504 -16.384 2.077 1.00 21.43 H new ATOM 0 HB2 SER A 4 -16.374 -14.882 0.487 1.00 3.42 H new ATOM 0 HB3 SER A 4 -16.997 -16.480 0.128 1.00 3.42 H new ATOM 0 HG SER A 4 -18.039 -14.825 -1.142 1.00 5.30 H new ATOM 66 N LEU A 5 -16.223 -17.528 2.656 1.00 24.42 N ATOM 67 CA LEU A 5 -15.101 -18.131 3.315 1.00 13.03 C ATOM 68 C LEU A 5 -13.900 -17.982 2.420 1.00 44.41 C ATOM 69 O LEU A 5 -13.524 -18.890 1.684 1.00 61.41 O ATOM 70 CB LEU A 5 -15.351 -19.598 3.690 1.00 73.11 C ATOM 71 CG LEU A 5 -16.507 -19.864 4.665 1.00 54.31 C ATOM 72 CD1 LEU A 5 -16.639 -21.349 4.937 1.00 1.02 C ATOM 73 CD2 LEU A 5 -16.310 -19.100 5.968 1.00 13.44 C ATOM 0 H LEU A 5 -16.748 -18.152 2.043 1.00 24.42 H new ATOM 0 HA LEU A 5 -14.929 -17.620 4.262 1.00 13.03 H new ATOM 0 HB2 LEU A 5 -15.540 -20.158 2.774 1.00 73.11 H new ATOM 0 HB3 LEU A 5 -14.436 -20.000 4.126 1.00 73.11 H new ATOM 0 HG LEU A 5 -17.428 -19.511 4.202 1.00 54.31 H new ATOM 0 HD11 LEU A 5 -17.463 -21.520 5.630 1.00 1.02 H new ATOM 0 HD12 LEU A 5 -16.836 -21.874 4.002 1.00 1.02 H new ATOM 0 HD13 LEU A 5 -15.713 -21.722 5.375 1.00 1.02 H new ATOM 0 HD21 LEU A 5 -17.143 -19.306 6.640 1.00 13.44 H new ATOM 0 HD22 LEU A 5 -15.378 -19.415 6.437 1.00 13.44 H new ATOM 0 HD23 LEU A 5 -16.268 -18.031 5.760 1.00 13.44 H new ATOM 85 N SER A 6 -13.394 -16.788 2.404 1.00 2.45 N ATOM 86 CA SER A 6 -12.285 -16.388 1.585 1.00 74.32 C ATOM 87 C SER A 6 -11.654 -15.178 2.255 1.00 4.20 C ATOM 88 O SER A 6 -11.876 -14.959 3.456 1.00 74.55 O ATOM 89 CB SER A 6 -12.820 -15.968 0.200 1.00 34.35 C ATOM 90 OG SER A 6 -13.576 -17.005 -0.409 1.00 50.42 O ATOM 0 H SER A 6 -13.756 -16.031 2.985 1.00 2.45 H new ATOM 0 HA SER A 6 -11.564 -17.197 1.469 1.00 74.32 H new ATOM 0 HB2 SER A 6 -13.441 -15.078 0.305 1.00 34.35 H new ATOM 0 HB3 SER A 6 -11.985 -15.699 -0.446 1.00 34.35 H new ATOM 0 HG SER A 6 -13.900 -16.703 -1.283 1.00 50.42 H new ATOM 96 N TYR A 7 -10.890 -14.405 1.480 1.00 14.42 N ATOM 97 CA TYR A 7 -10.265 -13.178 1.900 1.00 40.43 C ATOM 98 C TYR A 7 -9.111 -13.432 2.825 1.00 10.44 C ATOM 99 O TYR A 7 -9.261 -13.568 4.046 1.00 10.45 O ATOM 100 CB TYR A 7 -11.292 -12.215 2.474 1.00 52.53 C ATOM 101 CG TYR A 7 -10.809 -10.825 2.765 1.00 53.32 C ATOM 102 CD1 TYR A 7 -10.763 -9.896 1.755 1.00 75.23 C ATOM 103 CD2 TYR A 7 -10.422 -10.435 4.042 1.00 12.21 C ATOM 104 CE1 TYR A 7 -10.348 -8.608 1.989 1.00 34.24 C ATOM 105 CE2 TYR A 7 -10.007 -9.139 4.291 1.00 5.54 C ATOM 106 CZ TYR A 7 -9.972 -8.231 3.255 1.00 64.30 C ATOM 107 OH TYR A 7 -9.569 -6.930 3.489 1.00 44.23 O ATOM 0 H TYR A 7 -10.691 -14.638 0.507 1.00 14.42 H new ATOM 0 HA TYR A 7 -9.839 -12.693 1.022 1.00 40.43 H new ATOM 0 HB2 TYR A 7 -12.126 -12.148 1.776 1.00 52.53 H new ATOM 0 HB3 TYR A 7 -11.683 -12.642 3.398 1.00 52.53 H new ATOM 0 HD1 TYR A 7 -11.059 -10.184 0.757 1.00 75.23 H new ATOM 0 HD2 TYR A 7 -10.446 -11.152 4.849 1.00 12.21 H new ATOM 0 HE1 TYR A 7 -10.317 -7.893 1.180 1.00 34.24 H new ATOM 0 HE2 TYR A 7 -9.713 -8.842 5.287 1.00 5.54 H new ATOM 0 HH TYR A 7 -9.337 -6.825 4.435 1.00 44.23 H new ATOM 117 N ARG A 8 -7.962 -13.534 2.231 1.00 41.33 N ATOM 118 CA ARG A 8 -6.763 -13.765 2.979 1.00 11.10 C ATOM 119 C ARG A 8 -5.802 -12.602 2.788 1.00 64.51 C ATOM 120 O ARG A 8 -4.698 -12.584 3.332 1.00 40.12 O ATOM 121 CB ARG A 8 -6.093 -15.110 2.606 1.00 34.21 C ATOM 122 CG ARG A 8 -5.313 -15.181 1.268 1.00 23.13 C ATOM 123 CD ARG A 8 -6.162 -15.006 0.021 1.00 12.03 C ATOM 124 NE ARG A 8 -5.329 -15.063 -1.200 1.00 44.34 N ATOM 125 CZ ARG A 8 -5.744 -14.771 -2.448 1.00 2.03 C ATOM 126 NH1 ARG A 8 -7.021 -14.485 -2.683 1.00 41.00 N ATOM 127 NH2 ARG A 8 -4.879 -14.789 -3.457 1.00 70.15 N ATOM 0 H ARG A 8 -7.828 -13.460 1.223 1.00 41.33 H new ATOM 0 HA ARG A 8 -7.033 -13.833 4.033 1.00 11.10 H new ATOM 0 HB2 ARG A 8 -5.406 -15.376 3.409 1.00 34.21 H new ATOM 0 HB3 ARG A 8 -6.868 -15.876 2.583 1.00 34.21 H new ATOM 0 HG2 ARG A 8 -4.540 -14.412 1.274 1.00 23.13 H new ATOM 0 HG3 ARG A 8 -4.805 -16.144 1.211 1.00 23.13 H new ATOM 0 HD2 ARG A 8 -6.923 -15.785 -0.017 1.00 12.03 H new ATOM 0 HD3 ARG A 8 -6.685 -14.051 0.064 1.00 12.03 H new ATOM 0 HE ARG A 8 -4.356 -15.348 -1.087 1.00 44.34 H new ATOM 0 HH11 ARG A 8 -7.693 -14.486 -1.916 1.00 41.00 H new ATOM 0 HH12 ARG A 8 -7.328 -14.265 -3.630 1.00 41.00 H new ATOM 0 HH21 ARG A 8 -3.901 -15.024 -3.286 1.00 70.15 H new ATOM 0 HH22 ARG A 8 -5.193 -14.568 -4.402 1.00 70.15 H new ATOM 141 N CYS A 9 -6.253 -11.605 2.070 1.00 62.41 N ATOM 142 CA CYS A 9 -5.413 -10.485 1.746 1.00 42.41 C ATOM 143 C CYS A 9 -5.892 -9.270 2.510 1.00 61.15 C ATOM 144 O CYS A 9 -7.088 -9.069 2.649 1.00 41.13 O ATOM 145 CB CYS A 9 -5.523 -10.195 0.246 1.00 70.31 C ATOM 146 SG CYS A 9 -5.210 -11.637 -0.817 1.00 14.45 S ATOM 0 H CYS A 9 -7.201 -11.548 1.698 1.00 62.41 H new ATOM 0 HA CYS A 9 -4.380 -10.711 2.010 1.00 42.41 H new ATOM 0 HB2 CYS A 9 -6.521 -9.811 0.034 1.00 70.31 H new ATOM 0 HB3 CYS A 9 -4.816 -9.407 -0.013 1.00 70.31 H new ATOM 151 N PRO A 10 -4.969 -8.459 3.039 1.00 11.11 N ATOM 152 CA PRO A 10 -5.320 -7.207 3.724 1.00 34.11 C ATOM 153 C PRO A 10 -5.909 -6.174 2.766 1.00 64.14 C ATOM 154 O PRO A 10 -6.745 -5.359 3.153 1.00 43.31 O ATOM 155 CB PRO A 10 -3.988 -6.694 4.294 1.00 11.31 C ATOM 156 CG PRO A 10 -3.013 -7.823 4.157 1.00 51.24 C ATOM 157 CD PRO A 10 -3.525 -8.731 3.081 1.00 13.12 C ATOM 0 HA PRO A 10 -6.080 -7.374 4.487 1.00 34.11 H new ATOM 0 HB2 PRO A 10 -3.644 -5.815 3.749 1.00 11.31 H new ATOM 0 HB3 PRO A 10 -4.099 -6.400 5.338 1.00 11.31 H new ATOM 0 HG2 PRO A 10 -2.023 -7.446 3.901 1.00 51.24 H new ATOM 0 HG3 PRO A 10 -2.915 -8.362 5.099 1.00 51.24 H new ATOM 0 HD2 PRO A 10 -3.052 -8.519 2.122 1.00 13.12 H new ATOM 0 HD3 PRO A 10 -3.323 -9.777 3.312 1.00 13.12 H new ATOM 165 N CYS A 11 -5.485 -6.223 1.526 1.00 75.31 N ATOM 166 CA CYS A 11 -5.948 -5.292 0.546 1.00 24.25 C ATOM 167 C CYS A 11 -6.859 -5.960 -0.436 1.00 74.40 C ATOM 168 O CYS A 11 -6.483 -6.927 -1.109 1.00 32.10 O ATOM 169 CB CYS A 11 -4.779 -4.623 -0.158 1.00 32.11 C ATOM 170 SG CYS A 11 -3.733 -3.665 0.970 1.00 34.41 S ATOM 0 H CYS A 11 -4.814 -6.907 1.177 1.00 75.31 H new ATOM 0 HA CYS A 11 -6.519 -4.517 1.057 1.00 24.25 H new ATOM 0 HB2 CYS A 11 -4.173 -5.384 -0.649 1.00 32.11 H new ATOM 0 HB3 CYS A 11 -5.160 -3.965 -0.939 1.00 32.11 H new ATOM 175 N ARG A 12 -8.063 -5.479 -0.476 1.00 15.25 N ATOM 176 CA ARG A 12 -9.045 -5.947 -1.408 1.00 52.55 C ATOM 177 C ARG A 12 -8.982 -5.056 -2.648 1.00 62.43 C ATOM 178 O ARG A 12 -9.271 -5.488 -3.777 1.00 61.40 O ATOM 179 CB ARG A 12 -10.437 -5.855 -0.768 1.00 31.13 C ATOM 180 CG ARG A 12 -11.556 -6.511 -1.567 1.00 23.25 C ATOM 181 CD ARG A 12 -11.282 -7.992 -1.770 1.00 42.40 C ATOM 182 NE ARG A 12 -12.364 -8.674 -2.472 1.00 53.21 N ATOM 183 CZ ARG A 12 -12.228 -9.841 -3.114 1.00 2.02 C ATOM 184 NH1 ARG A 12 -11.026 -10.426 -3.196 1.00 43.22 N ATOM 185 NH2 ARG A 12 -13.290 -10.414 -3.674 1.00 5.23 N ATOM 0 H ARG A 12 -8.397 -4.741 0.145 1.00 15.25 H new ATOM 0 HA ARG A 12 -8.852 -6.984 -1.682 1.00 52.55 H new ATOM 0 HB2 ARG A 12 -10.398 -6.315 0.219 1.00 31.13 H new ATOM 0 HB3 ARG A 12 -10.684 -4.804 -0.620 1.00 31.13 H new ATOM 0 HG2 ARG A 12 -12.505 -6.381 -1.046 1.00 23.25 H new ATOM 0 HG3 ARG A 12 -11.654 -6.019 -2.535 1.00 23.25 H new ATOM 0 HD2 ARG A 12 -10.357 -8.112 -2.333 1.00 42.40 H new ATOM 0 HD3 ARG A 12 -11.129 -8.465 -0.800 1.00 42.40 H new ATOM 0 HE ARG A 12 -13.284 -8.233 -2.474 1.00 53.21 H new ATOM 0 HH11 ARG A 12 -10.213 -9.982 -2.769 1.00 43.22 H new ATOM 0 HH12 ARG A 12 -10.924 -11.315 -3.685 1.00 43.22 H new ATOM 0 HH21 ARG A 12 -14.203 -9.964 -3.613 1.00 5.23 H new ATOM 0 HH22 ARG A 12 -13.191 -11.303 -4.164 1.00 5.23 H new ATOM 199 N PHE A 13 -8.575 -3.820 -2.427 1.00 50.33 N ATOM 200 CA PHE A 13 -8.484 -2.826 -3.472 1.00 21.21 C ATOM 201 C PHE A 13 -7.150 -2.105 -3.373 1.00 41.25 C ATOM 202 O PHE A 13 -6.560 -2.040 -2.295 1.00 0.22 O ATOM 203 CB PHE A 13 -9.631 -1.803 -3.360 1.00 54.41 C ATOM 204 CG PHE A 13 -11.012 -2.399 -3.443 1.00 15.44 C ATOM 205 CD1 PHE A 13 -11.564 -2.731 -4.667 1.00 21.24 C ATOM 206 CD2 PHE A 13 -11.752 -2.631 -2.294 1.00 14.32 C ATOM 207 CE1 PHE A 13 -12.827 -3.284 -4.745 1.00 75.31 C ATOM 208 CE2 PHE A 13 -13.014 -3.184 -2.366 1.00 72.50 C ATOM 209 CZ PHE A 13 -13.552 -3.509 -3.593 1.00 72.43 C ATOM 0 H PHE A 13 -8.296 -3.478 -1.507 1.00 50.33 H new ATOM 0 HA PHE A 13 -8.563 -3.330 -4.435 1.00 21.21 H new ATOM 0 HB2 PHE A 13 -9.535 -1.271 -2.413 1.00 54.41 H new ATOM 0 HB3 PHE A 13 -9.520 -1.064 -4.153 1.00 54.41 H new ATOM 0 HD1 PHE A 13 -11.001 -2.556 -5.572 1.00 21.24 H new ATOM 0 HD2 PHE A 13 -11.336 -2.376 -1.331 1.00 14.32 H new ATOM 0 HE1 PHE A 13 -13.247 -3.540 -5.707 1.00 75.31 H new ATOM 0 HE2 PHE A 13 -13.579 -3.362 -1.463 1.00 72.50 H new ATOM 0 HZ PHE A 13 -14.541 -3.940 -3.652 1.00 72.43 H new ATOM 219 N PHE A 14 -6.688 -1.587 -4.482 1.00 35.14 N ATOM 220 CA PHE A 14 -5.447 -0.851 -4.567 1.00 32.24 C ATOM 221 C PHE A 14 -5.666 0.498 -5.223 1.00 35.41 C ATOM 222 O PHE A 14 -6.488 0.631 -6.126 1.00 35.10 O ATOM 223 CB PHE A 14 -4.414 -1.623 -5.381 1.00 30.31 C ATOM 224 CG PHE A 14 -3.939 -2.874 -4.738 1.00 72.53 C ATOM 225 CD1 PHE A 14 -3.012 -2.807 -3.739 1.00 1.54 C ATOM 226 CD2 PHE A 14 -4.409 -4.107 -5.132 1.00 72.31 C ATOM 227 CE1 PHE A 14 -2.547 -3.933 -3.130 1.00 13.51 C ATOM 228 CE2 PHE A 14 -3.948 -5.259 -4.527 1.00 62.41 C ATOM 229 CZ PHE A 14 -3.008 -5.168 -3.521 1.00 4.14 C ATOM 0 H PHE A 14 -7.175 -1.666 -5.375 1.00 35.14 H new ATOM 0 HA PHE A 14 -5.082 -0.710 -3.550 1.00 32.24 H new ATOM 0 HB2 PHE A 14 -4.844 -1.868 -6.352 1.00 30.31 H new ATOM 0 HB3 PHE A 14 -3.557 -0.975 -5.566 1.00 30.31 H new ATOM 0 HD1 PHE A 14 -2.640 -1.843 -3.425 1.00 1.54 H new ATOM 0 HD2 PHE A 14 -5.144 -4.173 -5.921 1.00 72.31 H new ATOM 0 HE1 PHE A 14 -1.815 -3.856 -2.339 1.00 13.51 H new ATOM 0 HE2 PHE A 14 -4.320 -6.224 -4.839 1.00 62.41 H new ATOM 0 HZ PHE A 14 -2.636 -6.062 -3.043 1.00 4.14 H new ATOM 239 N GLU A 15 -4.966 1.485 -4.756 1.00 60.42 N ATOM 240 CA GLU A 15 -5.001 2.795 -5.330 1.00 32.32 C ATOM 241 C GLU A 15 -3.659 3.081 -5.988 1.00 74.23 C ATOM 242 O GLU A 15 -2.599 2.885 -5.386 1.00 61.22 O ATOM 243 CB GLU A 15 -5.342 3.849 -4.256 1.00 74.44 C ATOM 244 CG GLU A 15 -5.367 5.294 -4.761 1.00 34.33 C ATOM 245 CD GLU A 15 -6.295 5.504 -5.935 1.00 54.33 C ATOM 246 OE1 GLU A 15 -5.845 5.344 -7.087 1.00 24.31 O ATOM 247 OE2 GLU A 15 -7.473 5.852 -5.728 1.00 5.44 O ATOM 0 H GLU A 15 -4.344 1.402 -3.952 1.00 60.42 H new ATOM 0 HA GLU A 15 -5.782 2.846 -6.088 1.00 32.32 H new ATOM 0 HB2 GLU A 15 -6.316 3.611 -3.830 1.00 74.44 H new ATOM 0 HB3 GLU A 15 -4.614 3.773 -3.449 1.00 74.44 H new ATOM 0 HG2 GLU A 15 -5.670 5.951 -3.946 1.00 34.33 H new ATOM 0 HG3 GLU A 15 -4.358 5.588 -5.048 1.00 34.33 H new ATOM 254 N SER A 16 -3.709 3.516 -7.205 1.00 51.21 N ATOM 255 CA SER A 16 -2.539 3.799 -7.973 1.00 73.43 C ATOM 256 C SER A 16 -2.205 5.291 -7.928 1.00 14.13 C ATOM 257 O SER A 16 -1.086 5.702 -8.218 1.00 73.53 O ATOM 258 CB SER A 16 -2.796 3.349 -9.403 1.00 14.31 C ATOM 259 OG SER A 16 -4.018 3.910 -9.873 1.00 61.52 O ATOM 0 H SER A 16 -4.582 3.688 -7.704 1.00 51.21 H new ATOM 0 HA SER A 16 -1.684 3.265 -7.559 1.00 73.43 H new ATOM 0 HB2 SER A 16 -1.972 3.659 -10.045 1.00 14.31 H new ATOM 0 HB3 SER A 16 -2.843 2.261 -9.449 1.00 14.31 H new ATOM 0 HG SER A 16 -4.178 3.619 -10.795 1.00 61.52 H new ATOM 265 N HIS A 17 -3.175 6.095 -7.545 1.00 51.40 N ATOM 266 CA HIS A 17 -3.014 7.553 -7.521 1.00 73.13 C ATOM 267 C HIS A 17 -2.432 8.075 -6.212 1.00 35.21 C ATOM 268 O HIS A 17 -2.577 9.253 -5.896 1.00 44.11 O ATOM 269 CB HIS A 17 -4.345 8.250 -7.826 1.00 71.41 C ATOM 270 CG HIS A 17 -4.804 8.091 -9.235 1.00 63.32 C ATOM 271 ND1 HIS A 17 -4.784 9.117 -10.151 1.00 64.44 N ATOM 272 CD2 HIS A 17 -5.315 7.030 -9.878 1.00 11.41 C ATOM 273 CE1 HIS A 17 -5.264 8.688 -11.297 1.00 34.00 C ATOM 274 NE2 HIS A 17 -5.596 7.422 -11.159 1.00 3.11 N ATOM 0 H HIS A 17 -4.093 5.771 -7.242 1.00 51.40 H new ATOM 0 HA HIS A 17 -2.291 7.792 -8.301 1.00 73.13 H new ATOM 0 HB2 HIS A 17 -5.111 7.856 -7.158 1.00 71.41 H new ATOM 0 HB3 HIS A 17 -4.246 9.313 -7.605 1.00 71.41 H new ATOM 0 HD2 HIS A 17 -5.475 6.047 -9.461 1.00 11.41 H new ATOM 0 HE1 HIS A 17 -5.368 9.274 -12.198 1.00 34.00 H new ATOM 0 HE2 HIS A 17 -5.997 6.830 -11.887 1.00 3.11 H new ATOM 283 N VAL A 18 -1.762 7.226 -5.468 1.00 44.24 N ATOM 284 CA VAL A 18 -1.139 7.644 -4.235 1.00 41.12 C ATOM 285 C VAL A 18 0.213 8.327 -4.520 1.00 32.14 C ATOM 286 O VAL A 18 1.039 7.807 -5.290 1.00 32.55 O ATOM 287 CB VAL A 18 -0.925 6.446 -3.287 1.00 70.23 C ATOM 288 CG1 VAL A 18 -0.312 6.899 -1.992 1.00 34.32 C ATOM 289 CG2 VAL A 18 -2.235 5.720 -3.027 1.00 44.13 C ATOM 0 H VAL A 18 -1.635 6.240 -5.696 1.00 44.24 H new ATOM 0 HA VAL A 18 -1.807 8.356 -3.750 1.00 41.12 H new ATOM 0 HB VAL A 18 -0.239 5.751 -3.771 1.00 70.23 H new ATOM 0 HG11 VAL A 18 -0.169 6.040 -1.337 1.00 34.32 H new ATOM 0 HG12 VAL A 18 0.652 7.369 -2.190 1.00 34.32 H new ATOM 0 HG13 VAL A 18 -0.973 7.618 -1.508 1.00 34.32 H new ATOM 0 HG21 VAL A 18 -2.058 4.879 -2.356 1.00 44.13 H new ATOM 0 HG22 VAL A 18 -2.947 6.407 -2.569 1.00 44.13 H new ATOM 0 HG23 VAL A 18 -2.641 5.353 -3.970 1.00 44.13 H new ATOM 299 N ALA A 19 0.420 9.489 -3.927 1.00 11.45 N ATOM 300 CA ALA A 19 1.660 10.231 -4.076 1.00 24.22 C ATOM 301 C ALA A 19 2.421 10.205 -2.768 1.00 34.30 C ATOM 302 O ALA A 19 1.830 10.430 -1.715 1.00 70.44 O ATOM 303 CB ALA A 19 1.364 11.673 -4.455 1.00 12.32 C ATOM 0 H ALA A 19 -0.267 9.946 -3.328 1.00 11.45 H new ATOM 0 HA ALA A 19 2.258 9.770 -4.862 1.00 24.22 H new ATOM 0 HB1 ALA A 19 2.300 12.220 -4.564 1.00 12.32 H new ATOM 0 HB2 ALA A 19 0.818 11.697 -5.398 1.00 12.32 H new ATOM 0 HB3 ALA A 19 0.761 12.138 -3.675 1.00 12.32 H new ATOM 309 N ARG A 20 3.734 9.971 -2.836 1.00 52.43 N ATOM 310 CA ARG A 20 4.591 9.870 -1.636 1.00 54.01 C ATOM 311 C ARG A 20 4.530 11.148 -0.790 1.00 20.41 C ATOM 312 O ARG A 20 4.649 11.103 0.438 1.00 5.20 O ATOM 313 CB ARG A 20 6.046 9.567 -2.027 1.00 0.45 C ATOM 314 CG ARG A 20 7.007 9.488 -0.847 1.00 1.23 C ATOM 315 CD ARG A 20 8.427 9.216 -1.290 1.00 71.22 C ATOM 316 NE ARG A 20 9.358 9.307 -0.166 1.00 50.22 N ATOM 317 CZ ARG A 20 10.647 8.972 -0.195 1.00 63.44 C ATOM 318 NH1 ARG A 20 11.185 8.435 -1.287 1.00 12.03 N ATOM 319 NH2 ARG A 20 11.390 9.158 0.885 1.00 74.54 N ATOM 0 H ARG A 20 4.237 9.846 -3.714 1.00 52.43 H new ATOM 0 HA ARG A 20 4.208 9.046 -1.034 1.00 54.01 H new ATOM 0 HB2 ARG A 20 6.075 8.622 -2.569 1.00 0.45 H new ATOM 0 HB3 ARG A 20 6.394 10.339 -2.713 1.00 0.45 H new ATOM 0 HG2 ARG A 20 6.974 10.424 -0.289 1.00 1.23 H new ATOM 0 HG3 ARG A 20 6.682 8.700 -0.167 1.00 1.23 H new ATOM 0 HD2 ARG A 20 8.488 8.223 -1.736 1.00 71.22 H new ATOM 0 HD3 ARG A 20 8.713 9.931 -2.062 1.00 71.22 H new ATOM 0 HE ARG A 20 8.988 9.658 0.718 1.00 50.22 H new ATOM 0 HH11 ARG A 20 10.609 8.276 -2.114 1.00 12.03 H new ATOM 0 HH12 ARG A 20 12.173 8.183 -1.297 1.00 12.03 H new ATOM 0 HH21 ARG A 20 10.974 9.554 1.728 1.00 74.54 H new ATOM 0 HH22 ARG A 20 12.378 8.905 0.874 1.00 74.54 H new ATOM 333 N ALA A 21 4.323 12.266 -1.458 1.00 1.30 N ATOM 334 CA ALA A 21 4.229 13.565 -0.812 1.00 12.21 C ATOM 335 C ALA A 21 3.033 13.635 0.134 1.00 12.11 C ATOM 336 O ALA A 21 3.069 14.320 1.157 1.00 33.32 O ATOM 337 CB ALA A 21 4.120 14.652 -1.861 1.00 52.43 C ATOM 0 H ALA A 21 4.214 12.301 -2.472 1.00 1.30 H new ATOM 0 HA ALA A 21 5.133 13.714 -0.221 1.00 12.21 H new ATOM 0 HB1 ALA A 21 4.050 15.624 -1.372 1.00 52.43 H new ATOM 0 HB2 ALA A 21 5.003 14.630 -2.500 1.00 52.43 H new ATOM 0 HB3 ALA A 21 3.229 14.485 -2.467 1.00 52.43 H new ATOM 343 N ASN A 22 1.989 12.911 -0.204 1.00 52.42 N ATOM 344 CA ASN A 22 0.761 12.916 0.580 1.00 72.43 C ATOM 345 C ASN A 22 0.710 11.680 1.474 1.00 24.22 C ATOM 346 O ASN A 22 -0.209 11.492 2.247 1.00 55.11 O ATOM 347 CB ASN A 22 -0.455 12.984 -0.365 1.00 34.11 C ATOM 348 CG ASN A 22 -1.817 13.092 0.333 1.00 1.34 C ATOM 349 OD1 ASN A 22 -1.952 13.633 1.448 1.00 4.25 O ATOM 350 ND2 ASN A 22 -2.832 12.593 -0.324 1.00 44.34 N ATOM 0 H ASN A 22 1.961 12.304 -1.023 1.00 52.42 H new ATOM 0 HA ASN A 22 0.737 13.794 1.225 1.00 72.43 H new ATOM 0 HB2 ASN A 22 -0.334 13.842 -1.026 1.00 34.11 H new ATOM 0 HB3 ASN A 22 -0.456 12.094 -0.995 1.00 34.11 H new ATOM 0 HD21 ASN A 22 -3.770 12.640 0.074 1.00 44.34 H new ATOM 0 HD22 ASN A 22 -2.686 12.157 -1.235 1.00 44.34 H new ATOM 357 N VAL A 23 1.714 10.847 1.370 1.00 0.42 N ATOM 358 CA VAL A 23 1.797 9.668 2.219 1.00 32.31 C ATOM 359 C VAL A 23 2.472 10.022 3.530 1.00 63.25 C ATOM 360 O VAL A 23 3.623 10.466 3.542 1.00 34.30 O ATOM 361 CB VAL A 23 2.575 8.509 1.553 1.00 62.05 C ATOM 362 CG1 VAL A 23 2.642 7.315 2.476 1.00 71.15 C ATOM 363 CG2 VAL A 23 1.922 8.106 0.264 1.00 35.35 C ATOM 0 H VAL A 23 2.486 10.955 0.712 1.00 0.42 H new ATOM 0 HA VAL A 23 0.775 9.330 2.390 1.00 32.31 H new ATOM 0 HB VAL A 23 3.586 8.859 1.347 1.00 62.05 H new ATOM 0 HG11 VAL A 23 3.193 6.510 1.990 1.00 71.15 H new ATOM 0 HG12 VAL A 23 3.149 7.596 3.399 1.00 71.15 H new ATOM 0 HG13 VAL A 23 1.632 6.976 2.706 1.00 71.15 H new ATOM 0 HG21 VAL A 23 2.484 7.289 -0.189 1.00 35.35 H new ATOM 0 HG22 VAL A 23 0.901 7.779 0.460 1.00 35.35 H new ATOM 0 HG23 VAL A 23 1.906 8.957 -0.417 1.00 35.35 H new ATOM 373 N LYS A 24 1.757 9.837 4.621 1.00 11.40 N ATOM 374 CA LYS A 24 2.259 10.120 5.926 1.00 63.25 C ATOM 375 C LYS A 24 3.292 9.064 6.303 1.00 23.13 C ATOM 376 O LYS A 24 4.419 9.377 6.711 1.00 43.41 O ATOM 377 CB LYS A 24 1.094 10.090 6.876 1.00 34.32 C ATOM 378 CG LYS A 24 1.392 10.568 8.212 1.00 52.10 C ATOM 379 CD LYS A 24 0.151 10.518 9.014 1.00 33.31 C ATOM 380 CE LYS A 24 -0.878 11.561 8.605 1.00 13.20 C ATOM 381 NZ LYS A 24 -2.026 11.593 9.533 1.00 53.21 N ATOM 0 H LYS A 24 0.801 9.481 4.613 1.00 11.40 H new ATOM 0 HA LYS A 24 2.741 11.097 5.964 1.00 63.25 H new ATOM 0 HB2 LYS A 24 0.287 10.693 6.460 1.00 34.32 H new ATOM 0 HB3 LYS A 24 0.724 9.067 6.944 1.00 34.32 H new ATOM 0 HG2 LYS A 24 2.165 9.952 8.671 1.00 52.10 H new ATOM 0 HG3 LYS A 24 1.777 11.587 8.173 1.00 52.10 H new ATOM 0 HD2 LYS A 24 -0.292 9.526 8.922 1.00 33.31 H new ATOM 0 HD3 LYS A 24 0.401 10.659 10.065 1.00 33.31 H new ATOM 0 HE2 LYS A 24 -0.407 12.544 8.575 1.00 13.20 H new ATOM 0 HE3 LYS A 24 -1.232 11.346 7.597 1.00 13.20 H new ATOM 0 HZ1 LYS A 24 -2.409 12.559 9.578 1.00 53.21 H new ATOM 0 HZ2 LYS A 24 -2.764 10.943 9.195 1.00 53.21 H new ATOM 0 HZ3 LYS A 24 -1.714 11.299 10.481 1.00 53.21 H new ATOM 395 N ARG A 25 2.894 7.827 6.160 1.00 43.53 N ATOM 396 CA ARG A 25 3.761 6.694 6.382 1.00 44.14 C ATOM 397 C ARG A 25 3.128 5.499 5.699 1.00 72.44 C ATOM 398 O ARG A 25 1.891 5.356 5.716 1.00 3.22 O ATOM 399 CB ARG A 25 3.946 6.423 7.889 1.00 2.45 C ATOM 400 CG ARG A 25 4.996 5.367 8.215 1.00 14.34 C ATOM 401 CD ARG A 25 6.352 5.790 7.683 1.00 32.42 C ATOM 402 NE ARG A 25 7.409 4.827 7.970 1.00 14.43 N ATOM 403 CZ ARG A 25 8.620 4.864 7.408 1.00 52.42 C ATOM 404 NH1 ARG A 25 8.889 5.760 6.469 1.00 64.42 N ATOM 405 NH2 ARG A 25 9.544 3.994 7.772 1.00 3.44 N ATOM 0 H ARG A 25 1.946 7.572 5.882 1.00 43.53 H new ATOM 0 HA ARG A 25 4.751 6.892 5.971 1.00 44.14 H new ATOM 0 HB2 ARG A 25 4.221 7.355 8.382 1.00 2.45 H new ATOM 0 HB3 ARG A 25 2.990 6.110 8.309 1.00 2.45 H new ATOM 0 HG2 ARG A 25 5.051 5.220 9.294 1.00 14.34 H new ATOM 0 HG3 ARG A 25 4.708 4.411 7.777 1.00 14.34 H new ATOM 0 HD2 ARG A 25 6.283 5.933 6.605 1.00 32.42 H new ATOM 0 HD3 ARG A 25 6.620 6.754 8.116 1.00 32.42 H new ATOM 0 HE ARG A 25 7.212 4.082 8.639 1.00 14.43 H new ATOM 0 HH11 ARG A 25 8.171 6.422 6.175 1.00 64.42 H new ATOM 0 HH12 ARG A 25 9.814 5.788 6.040 1.00 64.42 H new ATOM 0 HH21 ARG A 25 9.333 3.293 8.483 1.00 3.44 H new ATOM 0 HH22 ARG A 25 10.469 4.023 7.343 1.00 3.44 H new ATOM 419 N LEU A 26 3.930 4.660 5.088 1.00 55.12 N ATOM 420 CA LEU A 26 3.395 3.531 4.374 1.00 75.13 C ATOM 421 C LEU A 26 4.225 2.305 4.609 1.00 43.53 C ATOM 422 O LEU A 26 5.381 2.402 5.031 1.00 64.51 O ATOM 423 CB LEU A 26 3.304 3.794 2.869 1.00 32.54 C ATOM 424 CG LEU A 26 4.597 3.835 2.046 1.00 2.24 C ATOM 425 CD1 LEU A 26 4.234 3.980 0.618 1.00 34.21 C ATOM 426 CD2 LEU A 26 5.528 4.962 2.444 1.00 63.13 C ATOM 0 H LEU A 26 4.947 4.738 5.072 1.00 55.12 H new ATOM 0 HA LEU A 26 2.388 3.370 4.758 1.00 75.13 H new ATOM 0 HB2 LEU A 26 2.663 3.025 2.438 1.00 32.54 H new ATOM 0 HB3 LEU A 26 2.795 4.748 2.731 1.00 32.54 H new ATOM 0 HG LEU A 26 5.137 2.907 2.234 1.00 2.24 H new ATOM 0 HD11 LEU A 26 5.140 4.011 0.014 1.00 34.21 H new ATOM 0 HD12 LEU A 26 3.622 3.132 0.310 1.00 34.21 H new ATOM 0 HD13 LEU A 26 3.672 4.903 0.477 1.00 34.21 H new ATOM 0 HD21 LEU A 26 6.423 4.932 1.822 1.00 63.13 H new ATOM 0 HD22 LEU A 26 5.022 5.918 2.306 1.00 63.13 H new ATOM 0 HD23 LEU A 26 5.810 4.848 3.491 1.00 63.13 H new ATOM 438 N LYS A 27 3.639 1.157 4.350 1.00 70.34 N ATOM 439 CA LYS A 27 4.331 -0.103 4.495 1.00 51.44 C ATOM 440 C LYS A 27 3.986 -1.010 3.345 1.00 14.11 C ATOM 441 O LYS A 27 2.905 -0.889 2.750 1.00 51.23 O ATOM 442 CB LYS A 27 3.980 -0.868 5.796 1.00 11.30 C ATOM 443 CG LYS A 27 4.195 -0.149 7.113 1.00 52.33 C ATOM 444 CD LYS A 27 3.053 0.819 7.436 1.00 44.35 C ATOM 445 CE LYS A 27 3.266 1.497 8.774 1.00 41.43 C ATOM 446 NZ LYS A 27 2.130 2.373 9.145 1.00 44.24 N ATOM 0 H LYS A 27 2.673 1.071 4.034 1.00 70.34 H new ATOM 0 HA LYS A 27 5.391 0.151 4.523 1.00 51.44 H new ATOM 0 HB2 LYS A 27 2.932 -1.161 5.741 1.00 11.30 H new ATOM 0 HB3 LYS A 27 4.567 -1.786 5.815 1.00 11.30 H new ATOM 0 HG2 LYS A 27 4.286 -0.882 7.915 1.00 52.33 H new ATOM 0 HG3 LYS A 27 5.136 0.401 7.076 1.00 52.33 H new ATOM 0 HD2 LYS A 27 2.980 1.573 6.652 1.00 44.35 H new ATOM 0 HD3 LYS A 27 2.107 0.278 7.447 1.00 44.35 H new ATOM 0 HE2 LYS A 27 3.405 0.739 9.545 1.00 41.43 H new ATOM 0 HE3 LYS A 27 4.181 2.088 8.738 1.00 41.43 H new ATOM 0 HZ1 LYS A 27 2.320 2.816 10.067 1.00 44.24 H new ATOM 0 HZ2 LYS A 27 2.012 3.113 8.424 1.00 44.24 H new ATOM 0 HZ3 LYS A 27 1.260 1.806 9.205 1.00 44.24 H new ATOM 460 N ILE A 28 4.899 -1.886 3.028 1.00 62.05 N ATOM 461 CA ILE A 28 4.664 -2.943 2.067 1.00 72.24 C ATOM 462 C ILE A 28 4.579 -4.227 2.849 1.00 32.43 C ATOM 463 O ILE A 28 5.570 -4.679 3.421 1.00 71.41 O ATOM 464 CB ILE A 28 5.784 -3.068 0.963 1.00 34.15 C ATOM 465 CG1 ILE A 28 5.812 -1.830 0.063 1.00 3.42 C ATOM 466 CG2 ILE A 28 5.634 -4.338 0.120 1.00 21.55 C ATOM 467 CD1 ILE A 28 6.742 -1.955 -1.140 1.00 51.44 C ATOM 0 H ILE A 28 5.837 -1.892 3.429 1.00 62.05 H new ATOM 0 HA ILE A 28 3.747 -2.716 1.524 1.00 72.24 H new ATOM 0 HB ILE A 28 6.735 -3.139 1.491 1.00 34.15 H new ATOM 0 HG12 ILE A 28 4.801 -1.629 -0.292 1.00 3.42 H new ATOM 0 HG13 ILE A 28 6.118 -0.969 0.657 1.00 3.42 H new ATOM 0 HG21 ILE A 28 6.429 -4.376 -0.625 1.00 21.55 H new ATOM 0 HG22 ILE A 28 5.700 -5.213 0.766 1.00 21.55 H new ATOM 0 HG23 ILE A 28 4.667 -4.329 -0.382 1.00 21.55 H new ATOM 0 HD11 ILE A 28 6.704 -1.037 -1.726 1.00 51.44 H new ATOM 0 HD12 ILE A 28 7.762 -2.124 -0.795 1.00 51.44 H new ATOM 0 HD13 ILE A 28 6.425 -2.794 -1.759 1.00 51.44 H new ATOM 479 N LEU A 29 3.413 -4.785 2.914 1.00 23.44 N ATOM 480 CA LEU A 29 3.215 -5.983 3.650 1.00 5.54 C ATOM 481 C LEU A 29 3.312 -7.124 2.647 1.00 72.42 C ATOM 482 O LEU A 29 2.425 -7.309 1.786 1.00 53.10 O ATOM 483 CB LEU A 29 1.834 -5.938 4.353 1.00 51.21 C ATOM 484 CG LEU A 29 1.622 -6.849 5.593 1.00 3.23 C ATOM 485 CD1 LEU A 29 0.237 -6.635 6.177 1.00 25.14 C ATOM 486 CD2 LEU A 29 1.829 -8.312 5.276 1.00 32.25 C ATOM 0 H LEU A 29 2.576 -4.421 2.458 1.00 23.44 H new ATOM 0 HA LEU A 29 3.960 -6.117 4.434 1.00 5.54 H new ATOM 0 HB2 LEU A 29 1.647 -4.908 4.658 1.00 51.21 H new ATOM 0 HB3 LEU A 29 1.074 -6.195 3.615 1.00 51.21 H new ATOM 0 HG LEU A 29 2.375 -6.565 6.328 1.00 3.23 H new ATOM 0 HD11 LEU A 29 0.104 -7.281 7.045 1.00 25.14 H new ATOM 0 HD12 LEU A 29 0.126 -5.594 6.479 1.00 25.14 H new ATOM 0 HD13 LEU A 29 -0.516 -6.877 5.427 1.00 25.14 H new ATOM 0 HD21 LEU A 29 1.669 -8.906 6.176 1.00 32.25 H new ATOM 0 HD22 LEU A 29 1.121 -8.621 4.507 1.00 32.25 H new ATOM 0 HD23 LEU A 29 2.846 -8.466 4.916 1.00 32.25 H new ATOM 498 N ASN A 30 4.379 -7.858 2.746 1.00 73.02 N ATOM 499 CA ASN A 30 4.676 -8.933 1.825 1.00 41.42 C ATOM 500 C ASN A 30 4.007 -10.199 2.284 1.00 73.31 C ATOM 501 O ASN A 30 4.430 -10.803 3.275 1.00 63.02 O ATOM 502 CB ASN A 30 6.203 -9.184 1.755 1.00 74.44 C ATOM 503 CG ASN A 30 7.027 -7.985 1.304 1.00 44.41 C ATOM 504 OD1 ASN A 30 7.448 -7.162 2.116 1.00 72.35 O ATOM 505 ND2 ASN A 30 7.296 -7.897 0.030 1.00 42.43 N ATOM 0 H ASN A 30 5.081 -7.732 3.475 1.00 73.02 H new ATOM 0 HA ASN A 30 4.308 -8.647 0.840 1.00 41.42 H new ATOM 0 HB2 ASN A 30 6.551 -9.497 2.739 1.00 74.44 H new ATOM 0 HB3 ASN A 30 6.390 -10.013 1.072 1.00 74.44 H new ATOM 0 HD21 ASN A 30 7.871 -7.129 -0.318 1.00 42.43 H new ATOM 0 HD22 ASN A 30 6.932 -8.596 -0.618 1.00 42.43 H new ATOM 512 N THR A 31 2.940 -10.598 1.627 1.00 72.24 N ATOM 513 CA THR A 31 2.340 -11.829 1.982 1.00 24.11 C ATOM 514 C THR A 31 2.680 -12.890 0.950 1.00 52.02 C ATOM 515 O THR A 31 2.518 -12.670 -0.250 1.00 70.24 O ATOM 516 CB THR A 31 0.813 -11.738 2.147 1.00 61.21 C ATOM 517 OG1 THR A 31 0.200 -11.264 0.945 1.00 2.54 O ATOM 518 CG2 THR A 31 0.426 -10.831 3.292 1.00 61.12 C ATOM 0 H THR A 31 2.491 -10.090 0.865 1.00 72.24 H new ATOM 0 HA THR A 31 2.747 -12.102 2.956 1.00 24.11 H new ATOM 0 HB THR A 31 0.458 -12.745 2.366 1.00 61.21 H new ATOM 0 HG1 THR A 31 -0.704 -10.943 1.144 1.00 2.54 H new ATOM 0 HG21 THR A 31 -0.660 -10.793 3.375 1.00 61.12 H new ATOM 0 HG22 THR A 31 0.848 -11.216 4.220 1.00 61.12 H new ATOM 0 HG23 THR A 31 0.811 -9.828 3.108 1.00 61.12 H new ATOM 526 N PRO A 32 3.173 -14.047 1.391 1.00 35.11 N ATOM 527 CA PRO A 32 3.487 -15.157 0.491 1.00 62.14 C ATOM 528 C PRO A 32 2.223 -15.920 0.084 1.00 34.24 C ATOM 529 O PRO A 32 2.259 -16.866 -0.711 1.00 61.44 O ATOM 530 CB PRO A 32 4.403 -16.062 1.328 1.00 24.14 C ATOM 531 CG PRO A 32 4.540 -15.413 2.676 1.00 72.31 C ATOM 532 CD PRO A 32 3.490 -14.364 2.785 1.00 4.32 C ATOM 0 HA PRO A 32 3.947 -14.816 -0.437 1.00 62.14 H new ATOM 0 HB2 PRO A 32 3.978 -17.061 1.422 1.00 24.14 H new ATOM 0 HB3 PRO A 32 5.377 -16.173 0.852 1.00 24.14 H new ATOM 0 HG2 PRO A 32 4.425 -16.152 3.469 1.00 72.31 H new ATOM 0 HG3 PRO A 32 5.531 -14.974 2.790 1.00 72.31 H new ATOM 0 HD2 PRO A 32 2.614 -14.728 3.322 1.00 4.32 H new ATOM 0 HD3 PRO A 32 3.853 -13.488 3.323 1.00 4.32 H new ATOM 540 N ASN A 33 1.116 -15.511 0.651 1.00 63.43 N ATOM 541 CA ASN A 33 -0.171 -16.118 0.374 1.00 2.23 C ATOM 542 C ASN A 33 -0.933 -15.284 -0.635 1.00 53.04 C ATOM 543 O ASN A 33 -1.734 -15.813 -1.407 1.00 72.51 O ATOM 544 CB ASN A 33 -1.020 -16.236 1.649 1.00 34.33 C ATOM 545 CG ASN A 33 -1.384 -14.880 2.206 1.00 62.41 C ATOM 546 OD1 ASN A 33 -2.397 -14.301 1.856 1.00 71.02 O ATOM 547 ND2 ASN A 33 -0.573 -14.361 3.053 1.00 30.55 N ATOM 0 H ASN A 33 1.077 -14.744 1.322 1.00 63.43 H new ATOM 0 HA ASN A 33 0.017 -17.116 -0.023 1.00 2.23 H new ATOM 0 HB2 ASN A 33 -1.930 -16.795 1.430 1.00 34.33 H new ATOM 0 HB3 ASN A 33 -0.471 -16.803 2.401 1.00 34.33 H new ATOM 0 HD21 ASN A 33 -0.769 -13.442 3.450 1.00 30.55 H new ATOM 0 HD22 ASN A 33 0.268 -14.867 3.329 1.00 30.55 H new ATOM 554 N CYS A 34 -0.715 -13.975 -0.620 1.00 14.50 N ATOM 555 CA CYS A 34 -1.455 -13.135 -1.522 1.00 72.34 C ATOM 556 C CYS A 34 -0.551 -12.510 -2.577 1.00 1.15 C ATOM 557 O CYS A 34 -0.426 -13.045 -3.690 1.00 54.32 O ATOM 558 CB CYS A 34 -2.204 -12.033 -0.768 1.00 35.05 C ATOM 559 SG CYS A 34 -3.482 -11.187 -1.762 1.00 72.43 S ATOM 0 H CYS A 34 -0.053 -13.494 -0.011 1.00 14.50 H new ATOM 0 HA CYS A 34 -2.181 -13.775 -2.023 1.00 72.34 H new ATOM 0 HB2 CYS A 34 -2.673 -12.466 0.115 1.00 35.05 H new ATOM 0 HB3 CYS A 34 -1.484 -11.294 -0.416 1.00 35.05 H new ATOM 564 N ALA A 35 0.127 -11.438 -2.204 1.00 13.02 N ATOM 565 CA ALA A 35 0.910 -10.619 -3.112 1.00 75.13 C ATOM 566 C ALA A 35 1.492 -9.472 -2.302 1.00 51.20 C ATOM 567 O ALA A 35 1.625 -9.584 -1.065 1.00 73.53 O ATOM 568 CB ALA A 35 -0.017 -10.056 -4.206 1.00 13.01 C ATOM 0 H ALA A 35 0.149 -11.106 -1.240 1.00 13.02 H new ATOM 0 HA ALA A 35 1.703 -11.201 -3.581 1.00 75.13 H new ATOM 0 HB1 ALA A 35 0.563 -9.439 -4.893 1.00 13.01 H new ATOM 0 HB2 ALA A 35 -0.474 -10.879 -4.755 1.00 13.01 H new ATOM 0 HB3 ALA A 35 -0.797 -9.450 -3.745 1.00 13.01 H new ATOM 574 N LEU A 36 1.848 -8.401 -2.968 1.00 24.44 N ATOM 575 CA LEU A 36 2.333 -7.215 -2.301 1.00 41.20 C ATOM 576 C LEU A 36 1.188 -6.310 -1.935 1.00 64.21 C ATOM 577 O LEU A 36 0.509 -5.777 -2.812 1.00 64.42 O ATOM 578 CB LEU A 36 3.276 -6.425 -3.199 1.00 45.11 C ATOM 579 CG LEU A 36 4.546 -7.109 -3.634 1.00 71.15 C ATOM 580 CD1 LEU A 36 5.368 -6.159 -4.471 1.00 13.15 C ATOM 581 CD2 LEU A 36 5.324 -7.567 -2.432 1.00 33.31 C ATOM 0 H LEU A 36 1.810 -8.326 -3.985 1.00 24.44 H new ATOM 0 HA LEU A 36 2.861 -7.546 -1.407 1.00 41.20 H new ATOM 0 HB2 LEU A 36 2.726 -6.134 -4.094 1.00 45.11 H new ATOM 0 HB3 LEU A 36 3.548 -5.507 -2.679 1.00 45.11 H new ATOM 0 HG LEU A 36 4.300 -7.985 -4.234 1.00 71.15 H new ATOM 0 HD11 LEU A 36 6.287 -6.653 -4.786 1.00 13.15 H new ATOM 0 HD12 LEU A 36 4.797 -5.861 -5.350 1.00 13.15 H new ATOM 0 HD13 LEU A 36 5.615 -5.276 -3.882 1.00 13.15 H new ATOM 0 HD21 LEU A 36 6.240 -8.060 -2.758 1.00 33.31 H new ATOM 0 HD22 LEU A 36 5.576 -6.707 -1.812 1.00 33.31 H new ATOM 0 HD23 LEU A 36 4.721 -8.267 -1.853 1.00 33.31 H new ATOM 593 N GLN A 37 0.958 -6.138 -0.665 1.00 33.25 N ATOM 594 CA GLN A 37 -0.032 -5.196 -0.243 1.00 63.10 C ATOM 595 C GLN A 37 0.667 -4.017 0.332 1.00 60.43 C ATOM 596 O GLN A 37 1.485 -4.155 1.221 1.00 11.43 O ATOM 597 CB GLN A 37 -1.026 -5.779 0.788 1.00 12.31 C ATOM 598 CG GLN A 37 -1.949 -6.877 0.256 1.00 62.04 C ATOM 599 CD GLN A 37 -1.245 -8.170 -0.085 1.00 72.12 C ATOM 600 OE1 GLN A 37 -1.646 -8.878 -0.973 1.00 24.12 O ATOM 601 NE2 GLN A 37 -0.227 -8.514 0.658 1.00 33.21 N ATOM 0 H GLN A 37 1.438 -6.633 0.087 1.00 33.25 H new ATOM 0 HA GLN A 37 -0.628 -4.918 -1.113 1.00 63.10 H new ATOM 0 HB2 GLN A 37 -0.459 -6.179 1.629 1.00 12.31 H new ATOM 0 HB3 GLN A 37 -1.641 -4.966 1.176 1.00 12.31 H new ATOM 0 HG2 GLN A 37 -2.718 -7.081 1.001 1.00 62.04 H new ATOM 0 HG3 GLN A 37 -2.458 -6.508 -0.635 1.00 62.04 H new ATOM 0 HE21 GLN A 37 0.092 -7.896 1.404 1.00 33.21 H new ATOM 0 HE22 GLN A 37 0.249 -9.401 0.492 1.00 33.21 H new ATOM 610 N ILE A 38 0.357 -2.881 -0.159 1.00 43.35 N ATOM 611 CA ILE A 38 0.976 -1.671 0.301 1.00 22.05 C ATOM 612 C ILE A 38 -0.106 -0.798 0.892 1.00 41.33 C ATOM 613 O ILE A 38 -1.214 -0.819 0.410 1.00 70.11 O ATOM 614 CB ILE A 38 1.623 -0.940 -0.882 1.00 20.11 C ATOM 615 CG1 ILE A 38 2.448 -1.924 -1.714 1.00 41.32 C ATOM 616 CG2 ILE A 38 2.515 0.188 -0.374 1.00 44.42 C ATOM 617 CD1 ILE A 38 3.062 -1.311 -2.933 1.00 23.25 C ATOM 0 H ILE A 38 -0.335 -2.748 -0.896 1.00 43.35 H new ATOM 0 HA ILE A 38 1.744 -1.894 1.042 1.00 22.05 H new ATOM 0 HB ILE A 38 0.838 -0.515 -1.508 1.00 20.11 H new ATOM 0 HG12 ILE A 38 3.238 -2.341 -1.090 1.00 41.32 H new ATOM 0 HG13 ILE A 38 1.810 -2.754 -2.017 1.00 41.32 H new ATOM 0 HG21 ILE A 38 2.970 0.701 -1.221 1.00 44.42 H new ATOM 0 HG22 ILE A 38 1.916 0.895 0.200 1.00 44.42 H new ATOM 0 HG23 ILE A 38 3.297 -0.225 0.263 1.00 44.42 H new ATOM 0 HD11 ILE A 38 3.632 -2.067 -3.473 1.00 23.25 H new ATOM 0 HD12 ILE A 38 2.276 -0.919 -3.578 1.00 23.25 H new ATOM 0 HD13 ILE A 38 3.726 -0.499 -2.637 1.00 23.25 H new ATOM 629 N VAL A 39 0.202 -0.051 1.920 1.00 12.31 N ATOM 630 CA VAL A 39 -0.804 0.769 2.595 1.00 64.12 C ATOM 631 C VAL A 39 -0.346 2.214 2.739 1.00 54.44 C ATOM 632 O VAL A 39 0.733 2.467 3.236 1.00 3.41 O ATOM 633 CB VAL A 39 -1.208 0.180 3.987 1.00 34.42 C ATOM 634 CG1 VAL A 39 -1.912 -1.164 3.826 1.00 60.13 C ATOM 635 CG2 VAL A 39 0.010 0.020 4.901 1.00 13.04 C ATOM 0 H VAL A 39 1.139 0.015 2.318 1.00 12.31 H new ATOM 0 HA VAL A 39 -1.690 0.754 1.960 1.00 64.12 H new ATOM 0 HB VAL A 39 -1.896 0.887 4.450 1.00 34.42 H new ATOM 0 HG11 VAL A 39 -2.183 -1.553 4.808 1.00 60.13 H new ATOM 0 HG12 VAL A 39 -2.813 -1.033 3.226 1.00 60.13 H new ATOM 0 HG13 VAL A 39 -1.244 -1.867 3.329 1.00 60.13 H new ATOM 0 HG21 VAL A 39 -0.306 -0.391 5.860 1.00 13.04 H new ATOM 0 HG22 VAL A 39 0.728 -0.655 4.435 1.00 13.04 H new ATOM 0 HG23 VAL A 39 0.476 0.992 5.059 1.00 13.04 H new ATOM 645 N ALA A 40 -1.170 3.150 2.304 1.00 51.22 N ATOM 646 CA ALA A 40 -0.835 4.569 2.353 1.00 23.10 C ATOM 647 C ALA A 40 -1.818 5.334 3.180 1.00 70.05 C ATOM 648 O ALA A 40 -3.007 5.325 2.884 1.00 35.21 O ATOM 649 CB ALA A 40 -0.865 5.169 0.956 1.00 50.13 C ATOM 0 H ALA A 40 -2.089 2.953 1.907 1.00 51.22 H new ATOM 0 HA ALA A 40 0.160 4.642 2.791 1.00 23.10 H new ATOM 0 HB1 ALA A 40 -0.613 6.228 1.009 1.00 50.13 H new ATOM 0 HB2 ALA A 40 -0.141 4.655 0.324 1.00 50.13 H new ATOM 0 HB3 ALA A 40 -1.863 5.054 0.532 1.00 50.13 H new ATOM 655 N ARG A 41 -1.347 5.989 4.213 1.00 35.41 N ATOM 656 CA ARG A 41 -2.206 6.880 4.944 1.00 32.52 C ATOM 657 C ARG A 41 -1.907 8.289 4.529 1.00 44.23 C ATOM 658 O ARG A 41 -0.758 8.733 4.589 1.00 14.31 O ATOM 659 CB ARG A 41 -2.133 6.702 6.462 1.00 72.10 C ATOM 660 CG ARG A 41 -3.032 7.674 7.206 1.00 24.24 C ATOM 661 CD ARG A 41 -3.253 7.286 8.662 1.00 43.01 C ATOM 662 NE ARG A 41 -2.019 7.218 9.437 1.00 24.04 N ATOM 663 CZ ARG A 41 -1.963 6.949 10.752 1.00 23.34 C ATOM 664 NH1 ARG A 41 -3.083 6.737 11.451 1.00 54.11 N ATOM 665 NH2 ARG A 41 -0.788 6.898 11.363 1.00 3.21 N ATOM 0 H ARG A 41 -0.390 5.923 4.560 1.00 35.41 H new ATOM 0 HA ARG A 41 -3.237 6.631 4.692 1.00 32.52 H new ATOM 0 HB2 ARG A 41 -2.416 5.681 6.719 1.00 72.10 H new ATOM 0 HB3 ARG A 41 -1.103 6.840 6.792 1.00 72.10 H new ATOM 0 HG2 ARG A 41 -2.593 8.671 7.164 1.00 24.24 H new ATOM 0 HG3 ARG A 41 -3.996 7.729 6.700 1.00 24.24 H new ATOM 0 HD2 ARG A 41 -3.925 8.009 9.125 1.00 43.01 H new ATOM 0 HD3 ARG A 41 -3.751 6.317 8.701 1.00 43.01 H new ATOM 0 HE ARG A 41 -1.140 7.386 8.948 1.00 24.04 H new ATOM 0 HH11 ARG A 41 -3.990 6.779 10.986 1.00 54.11 H new ATOM 0 HH12 ARG A 41 -3.030 6.533 12.449 1.00 54.11 H new ATOM 0 HH21 ARG A 41 0.069 7.063 10.835 1.00 3.21 H new ATOM 0 HH22 ARG A 41 -0.741 6.694 12.361 1.00 3.21 H new ATOM 679 N LEU A 42 -2.923 8.972 4.090 1.00 5.24 N ATOM 680 CA LEU A 42 -2.771 10.316 3.552 1.00 34.44 C ATOM 681 C LEU A 42 -2.491 11.326 4.658 1.00 4.42 C ATOM 682 O LEU A 42 -3.064 11.246 5.727 1.00 11.11 O ATOM 683 CB LEU A 42 -4.026 10.749 2.744 1.00 32.42 C ATOM 684 CG LEU A 42 -4.495 9.805 1.601 1.00 5.31 C ATOM 685 CD1 LEU A 42 -5.414 10.496 0.595 1.00 22.23 C ATOM 686 CD2 LEU A 42 -3.354 9.063 0.915 1.00 10.34 C ATOM 0 H LEU A 42 -3.882 8.626 4.089 1.00 5.24 H new ATOM 0 HA LEU A 42 -1.916 10.295 2.876 1.00 34.44 H new ATOM 0 HB2 LEU A 42 -4.853 10.870 3.443 1.00 32.42 H new ATOM 0 HB3 LEU A 42 -3.828 11.730 2.312 1.00 32.42 H new ATOM 0 HG LEU A 42 -5.093 9.042 2.099 1.00 5.31 H new ATOM 0 HD11 LEU A 42 -5.707 9.785 -0.178 1.00 22.23 H new ATOM 0 HD12 LEU A 42 -6.304 10.863 1.107 1.00 22.23 H new ATOM 0 HD13 LEU A 42 -4.888 11.334 0.137 1.00 22.23 H new ATOM 0 HD21 LEU A 42 -3.756 8.424 0.129 1.00 10.34 H new ATOM 0 HD22 LEU A 42 -2.662 9.783 0.478 1.00 10.34 H new ATOM 0 HD23 LEU A 42 -2.827 8.451 1.646 1.00 10.34 H new ATOM 698 N LYS A 43 -1.584 12.239 4.414 1.00 74.11 N ATOM 699 CA LYS A 43 -1.301 13.309 5.360 1.00 52.01 C ATOM 700 C LYS A 43 -2.483 14.269 5.412 1.00 20.31 C ATOM 701 O LYS A 43 -2.905 14.718 6.478 1.00 21.43 O ATOM 702 CB LYS A 43 -0.066 14.092 4.928 1.00 43.24 C ATOM 703 CG LYS A 43 1.184 13.311 4.827 1.00 62.51 C ATOM 704 CD LYS A 43 2.288 14.206 4.344 1.00 13.15 C ATOM 705 CE LYS A 43 3.590 13.520 4.458 1.00 22.43 C ATOM 706 NZ LYS A 43 4.708 14.362 3.988 1.00 22.22 N ATOM 0 H LYS A 43 -1.021 12.269 3.564 1.00 74.11 H new ATOM 0 HA LYS A 43 -1.126 12.864 6.339 1.00 52.01 H new ATOM 0 HB2 LYS A 43 -0.268 14.547 3.958 1.00 43.24 H new ATOM 0 HB3 LYS A 43 0.092 14.906 5.636 1.00 43.24 H new ATOM 0 HG2 LYS A 43 1.442 12.887 5.798 1.00 62.51 H new ATOM 0 HG3 LYS A 43 1.050 12.475 4.140 1.00 62.51 H new ATOM 0 HD2 LYS A 43 2.108 14.490 3.307 1.00 13.15 H new ATOM 0 HD3 LYS A 43 2.302 15.126 4.928 1.00 13.15 H new ATOM 0 HE2 LYS A 43 3.761 13.239 5.497 1.00 22.43 H new ATOM 0 HE3 LYS A 43 3.564 12.597 3.879 1.00 22.43 H new ATOM 0 HZ1 LYS A 43 5.605 13.852 4.118 1.00 22.22 H new ATOM 0 HZ2 LYS A 43 4.578 14.581 2.980 1.00 22.22 H new ATOM 0 HZ3 LYS A 43 4.730 15.247 4.534 1.00 22.22 H new ATOM 720 N ASN A 44 -3.022 14.544 4.239 1.00 45.42 N ATOM 721 CA ASN A 44 -4.112 15.494 4.069 1.00 41.51 C ATOM 722 C ASN A 44 -5.461 14.871 4.381 1.00 64.31 C ATOM 723 O ASN A 44 -6.298 15.473 5.067 1.00 33.22 O ATOM 724 CB ASN A 44 -4.105 16.027 2.625 1.00 70.21 C ATOM 725 CG ASN A 44 -5.193 17.049 2.341 1.00 42.02 C ATOM 726 OD1 ASN A 44 -6.307 16.701 1.929 1.00 53.34 O ATOM 727 ND2 ASN A 44 -4.886 18.304 2.544 1.00 11.14 N ATOM 0 H ASN A 44 -2.715 14.112 3.368 1.00 45.42 H new ATOM 0 HA ASN A 44 -3.958 16.312 4.772 1.00 41.51 H new ATOM 0 HB2 ASN A 44 -3.134 16.478 2.419 1.00 70.21 H new ATOM 0 HB3 ASN A 44 -4.219 15.189 1.938 1.00 70.21 H new ATOM 0 HD21 ASN A 44 -5.575 19.034 2.362 1.00 11.14 H new ATOM 0 HD22 ASN A 44 -3.957 18.553 2.884 1.00 11.14 H new ATOM 734 N ASN A 45 -5.677 13.666 3.887 1.00 10.42 N ATOM 735 CA ASN A 45 -6.975 13.015 4.040 1.00 64.41 C ATOM 736 C ASN A 45 -7.026 12.133 5.280 1.00 73.02 C ATOM 737 O ASN A 45 -8.089 11.817 5.789 1.00 2.21 O ATOM 738 CB ASN A 45 -7.308 12.227 2.782 1.00 50.10 C ATOM 739 CG ASN A 45 -8.719 11.664 2.742 1.00 51.51 C ATOM 740 OD1 ASN A 45 -8.900 10.602 1.993 1.00 51.55 O flip ATOM 741 ND2 ASN A 45 -9.641 12.202 3.345 1.00 64.10 N flip ATOM 0 H ASN A 45 -4.981 13.119 3.380 1.00 10.42 H new ATOM 0 HA ASN A 45 -7.731 13.788 4.179 1.00 64.41 H new ATOM 0 HB2 ASN A 45 -7.164 12.873 1.916 1.00 50.10 H new ATOM 0 HB3 ASN A 45 -6.600 11.404 2.687 1.00 50.10 H new ATOM 0 HD21 ASN A 45 -9.463 13.027 3.918 1.00 64.10 H new ATOM 0 HD22 ASN A 45 -10.586 11.825 3.273 1.00 64.10 H new ATOM 748 N ASN A 46 -5.852 11.747 5.749 1.00 64.24 N ATOM 749 CA ASN A 46 -5.647 10.884 6.944 1.00 62.31 C ATOM 750 C ASN A 46 -6.252 9.475 6.752 1.00 72.23 C ATOM 751 O ASN A 46 -6.252 8.646 7.662 1.00 32.50 O ATOM 752 CB ASN A 46 -6.167 11.543 8.244 1.00 24.22 C ATOM 753 CG ASN A 46 -5.641 10.844 9.503 1.00 21.03 C ATOM 754 OD1 ASN A 46 -4.509 10.325 9.518 1.00 4.05 O ATOM 755 ND2 ASN A 46 -6.436 10.808 10.539 1.00 61.23 N ATOM 0 H ASN A 46 -4.975 12.024 5.308 1.00 64.24 H new ATOM 0 HA ASN A 46 -4.569 10.767 7.053 1.00 62.31 H new ATOM 0 HB2 ASN A 46 -5.868 12.591 8.262 1.00 24.22 H new ATOM 0 HB3 ASN A 46 -7.257 11.522 8.248 1.00 24.22 H new ATOM 0 HD21 ASN A 46 -6.136 10.344 11.396 1.00 61.23 H new ATOM 0 HD22 ASN A 46 -7.357 11.244 10.491 1.00 61.23 H new ATOM 762 N ARG A 47 -6.721 9.188 5.553 1.00 61.12 N ATOM 763 CA ARG A 47 -7.282 7.885 5.287 1.00 30.20 C ATOM 764 C ARG A 47 -6.220 7.008 4.744 1.00 41.13 C ATOM 765 O ARG A 47 -5.276 7.489 4.105 1.00 71.04 O ATOM 766 CB ARG A 47 -8.464 7.909 4.314 1.00 73.31 C ATOM 767 CG ARG A 47 -9.694 8.665 4.787 1.00 24.42 C ATOM 768 CD ARG A 47 -10.826 8.499 3.788 1.00 74.01 C ATOM 769 NE ARG A 47 -12.044 9.216 4.187 1.00 11.31 N ATOM 770 CZ ARG A 47 -13.226 9.147 3.539 1.00 73.10 C ATOM 771 NH1 ARG A 47 -13.366 8.387 2.455 1.00 20.14 N ATOM 772 NH2 ARG A 47 -14.265 9.835 3.985 1.00 24.54 N ATOM 0 H ARG A 47 -6.724 9.831 4.761 1.00 61.12 H new ATOM 0 HA ARG A 47 -7.669 7.508 6.234 1.00 30.20 H new ATOM 0 HB2 ARG A 47 -8.129 8.350 3.375 1.00 73.31 H new ATOM 0 HB3 ARG A 47 -8.753 6.881 4.098 1.00 73.31 H new ATOM 0 HG2 ARG A 47 -10.004 8.295 5.764 1.00 24.42 H new ATOM 0 HG3 ARG A 47 -9.457 9.722 4.907 1.00 24.42 H new ATOM 0 HD2 ARG A 47 -10.500 8.860 2.813 1.00 74.01 H new ATOM 0 HD3 ARG A 47 -11.054 7.439 3.676 1.00 74.01 H new ATOM 0 HE ARG A 47 -11.993 9.810 5.015 1.00 11.31 H new ATOM 0 HH11 ARG A 47 -12.574 7.848 2.105 1.00 20.14 H new ATOM 0 HH12 ARG A 47 -14.265 8.344 1.975 1.00 20.14 H new ATOM 0 HH21 ARG A 47 -14.172 10.417 4.818 1.00 24.54 H new ATOM 0 HH22 ARG A 47 -15.159 9.784 3.496 1.00 24.54 H new ATOM 786 N GLN A 48 -6.341 5.754 4.998 1.00 22.30 N ATOM 787 CA GLN A 48 -5.414 4.812 4.546 1.00 73.40 C ATOM 788 C GLN A 48 -6.009 3.915 3.501 1.00 44.04 C ATOM 789 O GLN A 48 -7.016 3.253 3.728 1.00 60.10 O ATOM 790 CB GLN A 48 -4.816 4.049 5.714 1.00 75.14 C ATOM 791 CG GLN A 48 -4.049 2.815 5.321 1.00 74.43 C ATOM 792 CD GLN A 48 -3.155 2.298 6.429 1.00 34.03 C ATOM 793 OE1 GLN A 48 -2.634 3.066 7.240 1.00 20.35 O ATOM 794 NE2 GLN A 48 -2.989 1.007 6.498 1.00 63.22 N ATOM 0 H GLN A 48 -7.109 5.358 5.539 1.00 22.30 H new ATOM 0 HA GLN A 48 -4.593 5.337 4.058 1.00 73.40 H new ATOM 0 HB2 GLN A 48 -4.152 4.715 6.266 1.00 75.14 H new ATOM 0 HB3 GLN A 48 -5.618 3.763 6.394 1.00 75.14 H new ATOM 0 HG2 GLN A 48 -4.752 2.033 5.033 1.00 74.43 H new ATOM 0 HG3 GLN A 48 -3.441 3.035 4.444 1.00 74.43 H new ATOM 0 HE21 GLN A 48 -3.434 0.398 5.811 1.00 63.22 H new ATOM 0 HE22 GLN A 48 -2.414 0.606 7.239 1.00 63.22 H new ATOM 803 N VAL A 49 -5.389 3.925 2.360 1.00 2.31 N ATOM 804 CA VAL A 49 -5.784 3.129 1.238 1.00 33.55 C ATOM 805 C VAL A 49 -4.594 2.335 0.766 1.00 3.40 C ATOM 806 O VAL A 49 -3.456 2.776 0.903 1.00 75.25 O ATOM 807 CB VAL A 49 -6.350 3.998 0.066 1.00 41.43 C ATOM 808 CG1 VAL A 49 -7.619 4.721 0.498 1.00 15.55 C ATOM 809 CG2 VAL A 49 -5.312 5.008 -0.431 1.00 61.01 C ATOM 0 H VAL A 49 -4.570 4.505 2.179 1.00 2.31 H new ATOM 0 HA VAL A 49 -6.587 2.463 1.555 1.00 33.55 H new ATOM 0 HB VAL A 49 -6.590 3.325 -0.757 1.00 41.43 H new ATOM 0 HG11 VAL A 49 -7.997 5.320 -0.331 1.00 15.55 H new ATOM 0 HG12 VAL A 49 -8.373 3.990 0.791 1.00 15.55 H new ATOM 0 HG13 VAL A 49 -7.397 5.372 1.344 1.00 15.55 H new ATOM 0 HG21 VAL A 49 -5.737 5.596 -1.245 1.00 61.01 H new ATOM 0 HG22 VAL A 49 -5.029 5.671 0.386 1.00 61.01 H new ATOM 0 HG23 VAL A 49 -4.430 4.477 -0.789 1.00 61.01 H new ATOM 819 N CYS A 50 -4.839 1.167 0.287 1.00 54.25 N ATOM 820 CA CYS A 50 -3.794 0.331 -0.252 1.00 52.54 C ATOM 821 C CYS A 50 -3.238 0.902 -1.535 1.00 31.22 C ATOM 822 O CYS A 50 -3.959 1.506 -2.304 1.00 41.04 O ATOM 823 CB CYS A 50 -4.307 -1.078 -0.456 1.00 22.43 C ATOM 824 SG CYS A 50 -4.732 -1.915 1.103 1.00 75.35 S ATOM 0 H CYS A 50 -5.770 0.751 0.252 1.00 54.25 H new ATOM 0 HA CYS A 50 -2.975 0.300 0.467 1.00 52.54 H new ATOM 0 HB2 CYS A 50 -5.188 -1.048 -1.097 1.00 22.43 H new ATOM 0 HB3 CYS A 50 -3.550 -1.662 -0.980 1.00 22.43 H new ATOM 829 N ILE A 51 -1.964 0.723 -1.751 1.00 72.31 N ATOM 830 CA ILE A 51 -1.319 1.252 -2.931 1.00 0.42 C ATOM 831 C ILE A 51 -1.018 0.109 -3.859 1.00 61.30 C ATOM 832 O ILE A 51 -0.669 -0.980 -3.401 1.00 60.22 O ATOM 833 CB ILE A 51 0.028 1.922 -2.616 1.00 64.24 C ATOM 834 CG1 ILE A 51 -0.043 2.780 -1.370 1.00 15.35 C ATOM 835 CG2 ILE A 51 0.440 2.781 -3.798 1.00 53.24 C ATOM 836 CD1 ILE A 51 1.277 3.440 -1.044 1.00 13.40 C ATOM 0 H ILE A 51 -1.344 0.212 -1.123 1.00 72.31 H new ATOM 0 HA ILE A 51 -1.993 1.991 -3.363 1.00 0.42 H new ATOM 0 HB ILE A 51 0.762 1.137 -2.435 1.00 64.24 H new ATOM 0 HG12 ILE A 51 -0.805 3.547 -1.504 1.00 15.35 H new ATOM 0 HG13 ILE A 51 -0.356 2.164 -0.527 1.00 15.35 H new ATOM 0 HG21 ILE A 51 1.395 3.261 -3.584 1.00 53.24 H new ATOM 0 HG22 ILE A 51 0.539 2.156 -4.685 1.00 53.24 H new ATOM 0 HG23 ILE A 51 -0.318 3.544 -3.975 1.00 53.24 H new ATOM 0 HD11 ILE A 51 1.170 4.043 -0.142 1.00 13.40 H new ATOM 0 HD12 ILE A 51 2.036 2.675 -0.881 1.00 13.40 H new ATOM 0 HD13 ILE A 51 1.579 4.079 -1.874 1.00 13.40 H new ATOM 848 N ASP A 52 -1.143 0.342 -5.141 1.00 23.24 N ATOM 849 CA ASP A 52 -0.845 -0.682 -6.123 1.00 74.20 C ATOM 850 C ASP A 52 0.670 -0.748 -6.293 1.00 65.20 C ATOM 851 O ASP A 52 1.318 0.296 -6.474 1.00 74.22 O ATOM 852 CB ASP A 52 -1.488 -0.340 -7.465 1.00 3.12 C ATOM 853 CG ASP A 52 -1.408 -1.478 -8.463 1.00 33.34 C ATOM 854 OD1 ASP A 52 -0.336 -1.716 -9.022 1.00 72.32 O ATOM 855 OD2 ASP A 52 -2.439 -2.159 -8.690 1.00 61.24 O ATOM 0 H ASP A 52 -1.449 1.232 -5.534 1.00 23.24 H new ATOM 0 HA ASP A 52 -1.240 -1.640 -5.785 1.00 74.20 H new ATOM 0 HB2 ASP A 52 -2.533 -0.076 -7.305 1.00 3.12 H new ATOM 0 HB3 ASP A 52 -0.998 0.539 -7.884 1.00 3.12 H new ATOM 860 N PRO A 53 1.269 -1.948 -6.238 1.00 13.33 N ATOM 861 CA PRO A 53 2.731 -2.119 -6.341 1.00 3.24 C ATOM 862 C PRO A 53 3.333 -1.787 -7.726 1.00 63.11 C ATOM 863 O PRO A 53 4.519 -2.056 -7.966 1.00 1.12 O ATOM 864 CB PRO A 53 2.945 -3.595 -5.999 1.00 22.44 C ATOM 865 CG PRO A 53 1.660 -4.245 -6.385 1.00 20.23 C ATOM 866 CD PRO A 53 0.588 -3.250 -6.033 1.00 74.25 C ATOM 0 HA PRO A 53 3.240 -1.420 -5.677 1.00 3.24 H new ATOM 0 HB2 PRO A 53 3.786 -4.015 -6.551 1.00 22.44 H new ATOM 0 HB3 PRO A 53 3.159 -3.732 -4.939 1.00 22.44 H new ATOM 0 HG2 PRO A 53 1.643 -4.481 -7.449 1.00 20.23 H new ATOM 0 HG3 PRO A 53 1.517 -5.183 -5.848 1.00 20.23 H new ATOM 0 HD2 PRO A 53 -0.287 -3.354 -6.674 1.00 74.25 H new ATOM 0 HD3 PRO A 53 0.246 -3.370 -5.005 1.00 74.25 H new ATOM 874 N LYS A 54 2.536 -1.228 -8.639 1.00 74.11 N ATOM 875 CA LYS A 54 3.066 -0.817 -9.936 1.00 42.01 C ATOM 876 C LYS A 54 3.871 0.466 -9.803 1.00 62.33 C ATOM 877 O LYS A 54 4.731 0.754 -10.637 1.00 63.41 O ATOM 878 CB LYS A 54 1.964 -0.587 -10.984 1.00 15.32 C ATOM 879 CG LYS A 54 1.005 0.562 -10.651 1.00 51.13 C ATOM 880 CD LYS A 54 0.022 0.844 -11.779 1.00 74.53 C ATOM 881 CE LYS A 54 0.737 1.306 -13.049 1.00 35.24 C ATOM 882 NZ LYS A 54 -0.213 1.667 -14.117 1.00 0.21 N ATOM 0 H LYS A 54 1.540 -1.053 -8.507 1.00 74.11 H new ATOM 0 HA LYS A 54 3.699 -1.637 -10.275 1.00 42.01 H new ATOM 0 HB2 LYS A 54 2.432 -0.386 -11.948 1.00 15.32 H new ATOM 0 HB3 LYS A 54 1.387 -1.505 -11.095 1.00 15.32 H new ATOM 0 HG2 LYS A 54 0.452 0.319 -9.744 1.00 51.13 H new ATOM 0 HG3 LYS A 54 1.581 1.463 -10.441 1.00 51.13 H new ATOM 0 HD2 LYS A 54 -0.555 -0.056 -11.993 1.00 74.53 H new ATOM 0 HD3 LYS A 54 -0.687 1.609 -11.462 1.00 74.53 H new ATOM 0 HE2 LYS A 54 1.367 2.165 -12.818 1.00 35.24 H new ATOM 0 HE3 LYS A 54 1.396 0.513 -13.403 1.00 35.24 H new ATOM 0 HZ1 LYS A 54 0.313 1.975 -14.960 1.00 0.21 H new ATOM 0 HZ2 LYS A 54 -0.797 0.840 -14.356 1.00 0.21 H new ATOM 0 HZ3 LYS A 54 -0.826 2.441 -13.790 1.00 0.21 H new ATOM 896 N LEU A 55 3.580 1.241 -8.761 1.00 30.20 N ATOM 897 CA LEU A 55 4.230 2.530 -8.580 1.00 52.01 C ATOM 898 C LEU A 55 5.737 2.404 -8.369 1.00 64.33 C ATOM 899 O LEU A 55 6.213 1.766 -7.419 1.00 44.44 O ATOM 900 CB LEU A 55 3.575 3.344 -7.472 1.00 72.10 C ATOM 901 CG LEU A 55 2.085 3.660 -7.658 1.00 31.10 C ATOM 902 CD1 LEU A 55 1.583 4.528 -6.529 1.00 64.14 C ATOM 903 CD2 LEU A 55 1.841 4.337 -8.990 1.00 62.13 C ATOM 0 H LEU A 55 2.904 0.999 -8.037 1.00 30.20 H new ATOM 0 HA LEU A 55 4.091 3.076 -9.513 1.00 52.01 H new ATOM 0 HB2 LEU A 55 3.697 2.805 -6.532 1.00 72.10 H new ATOM 0 HB3 LEU A 55 4.116 4.285 -7.372 1.00 72.10 H new ATOM 0 HG LEU A 55 1.535 2.719 -7.645 1.00 31.10 H new ATOM 0 HD11 LEU A 55 0.525 4.742 -6.678 1.00 64.14 H new ATOM 0 HD12 LEU A 55 1.718 4.007 -5.581 1.00 64.14 H new ATOM 0 HD13 LEU A 55 2.143 5.463 -6.512 1.00 64.14 H new ATOM 0 HD21 LEU A 55 0.778 4.551 -9.100 1.00 62.13 H new ATOM 0 HD22 LEU A 55 2.405 5.268 -9.034 1.00 62.13 H new ATOM 0 HD23 LEU A 55 2.164 3.679 -9.797 1.00 62.13 H new ATOM 915 N LYS A 56 6.462 3.028 -9.261 1.00 50.44 N ATOM 916 CA LYS A 56 7.911 3.005 -9.295 1.00 24.55 C ATOM 917 C LYS A 56 8.508 3.694 -8.068 1.00 2.44 C ATOM 918 O LYS A 56 9.539 3.240 -7.536 1.00 3.11 O ATOM 919 CB LYS A 56 8.392 3.618 -10.654 1.00 13.35 C ATOM 920 CG LYS A 56 9.909 3.722 -10.909 1.00 4.24 C ATOM 921 CD LYS A 56 10.566 4.866 -10.143 1.00 72.10 C ATOM 922 CE LYS A 56 12.051 4.962 -10.442 1.00 11.11 C ATOM 923 NZ LYS A 56 12.316 5.176 -11.879 1.00 62.54 N ATOM 0 H LYS A 56 6.052 3.586 -10.010 1.00 50.44 H new ATOM 0 HA LYS A 56 8.273 1.978 -9.245 1.00 24.55 H new ATOM 0 HB2 LYS A 56 7.959 3.024 -11.459 1.00 13.35 H new ATOM 0 HB3 LYS A 56 7.971 4.620 -10.735 1.00 13.35 H new ATOM 0 HG2 LYS A 56 10.384 2.783 -10.626 1.00 4.24 H new ATOM 0 HG3 LYS A 56 10.084 3.859 -11.976 1.00 4.24 H new ATOM 0 HD2 LYS A 56 10.080 5.806 -10.406 1.00 72.10 H new ATOM 0 HD3 LYS A 56 10.419 4.719 -9.073 1.00 72.10 H new ATOM 0 HE2 LYS A 56 12.484 5.782 -9.868 1.00 11.11 H new ATOM 0 HE3 LYS A 56 12.546 4.048 -10.115 1.00 11.11 H new ATOM 0 HZ1 LYS A 56 13.300 5.486 -12.008 1.00 62.54 H new ATOM 0 HZ2 LYS A 56 12.162 4.287 -12.396 1.00 62.54 H new ATOM 0 HZ3 LYS A 56 11.672 5.906 -12.246 1.00 62.54 H new ATOM 937 N TRP A 57 7.863 4.763 -7.593 1.00 42.24 N ATOM 938 CA TRP A 57 8.379 5.482 -6.435 1.00 50.41 C ATOM 939 C TRP A 57 8.303 4.603 -5.188 1.00 73.42 C ATOM 940 O TRP A 57 9.138 4.708 -4.291 1.00 51.30 O ATOM 941 CB TRP A 57 7.671 6.864 -6.199 1.00 0.43 C ATOM 942 CG TRP A 57 6.216 6.824 -5.757 1.00 3.23 C ATOM 943 CD1 TRP A 57 5.104 7.012 -6.527 1.00 2.34 C ATOM 944 CD2 TRP A 57 5.734 6.594 -4.421 1.00 34.03 C ATOM 945 NE1 TRP A 57 3.969 6.914 -5.746 1.00 74.20 N ATOM 946 CE2 TRP A 57 4.332 6.651 -4.458 1.00 32.20 C ATOM 947 CE3 TRP A 57 6.361 6.343 -3.201 1.00 12.45 C ATOM 948 CZ2 TRP A 57 3.547 6.463 -3.315 1.00 64.22 C ATOM 949 CZ3 TRP A 57 5.586 6.153 -2.088 1.00 44.31 C ATOM 950 CH2 TRP A 57 4.194 6.215 -2.154 1.00 0.33 C ATOM 0 H TRP A 57 7.001 5.141 -7.986 1.00 42.24 H new ATOM 0 HA TRP A 57 9.423 5.713 -6.645 1.00 50.41 H new ATOM 0 HB2 TRP A 57 8.239 7.412 -5.448 1.00 0.43 H new ATOM 0 HB3 TRP A 57 7.729 7.438 -7.124 1.00 0.43 H new ATOM 0 HD1 TRP A 57 5.111 7.208 -7.589 1.00 2.34 H new ATOM 0 HE1 TRP A 57 3.011 7.021 -6.080 1.00 74.20 H new ATOM 0 HE3 TRP A 57 7.438 6.299 -3.135 1.00 12.45 H new ATOM 0 HZ2 TRP A 57 2.469 6.514 -3.358 1.00 64.22 H new ATOM 0 HZ3 TRP A 57 6.062 5.951 -1.140 1.00 44.31 H new ATOM 0 HH2 TRP A 57 3.618 6.061 -1.254 1.00 0.33 H new ATOM 961 N ILE A 58 7.309 3.723 -5.167 1.00 72.13 N ATOM 962 CA ILE A 58 7.068 2.808 -4.057 1.00 25.34 C ATOM 963 C ILE A 58 8.245 1.887 -3.834 1.00 43.03 C ATOM 964 O ILE A 58 8.789 1.816 -2.740 1.00 31.23 O ATOM 965 CB ILE A 58 5.793 1.954 -4.358 1.00 34.43 C ATOM 966 CG1 ILE A 58 4.522 2.738 -4.068 1.00 25.44 C ATOM 967 CG2 ILE A 58 5.790 0.612 -3.636 1.00 72.13 C ATOM 968 CD1 ILE A 58 4.325 2.992 -2.617 1.00 52.01 C ATOM 0 H ILE A 58 6.639 3.623 -5.930 1.00 72.13 H new ATOM 0 HA ILE A 58 6.924 3.400 -3.153 1.00 25.34 H new ATOM 0 HB ILE A 58 5.821 1.729 -5.424 1.00 34.43 H new ATOM 0 HG12 ILE A 58 4.558 3.690 -4.598 1.00 25.44 H new ATOM 0 HG13 ILE A 58 3.664 2.189 -4.457 1.00 25.44 H new ATOM 0 HG21 ILE A 58 4.880 0.067 -3.886 1.00 72.13 H new ATOM 0 HG22 ILE A 58 6.658 0.030 -3.946 1.00 72.13 H new ATOM 0 HG23 ILE A 58 5.830 0.778 -2.559 1.00 72.13 H new ATOM 0 HD11 ILE A 58 3.403 3.555 -2.468 1.00 52.01 H new ATOM 0 HD12 ILE A 58 4.260 2.042 -2.087 1.00 52.01 H new ATOM 0 HD13 ILE A 58 5.167 3.566 -2.230 1.00 52.01 H new ATOM 980 N GLN A 59 8.664 1.234 -4.874 1.00 51.20 N ATOM 981 CA GLN A 59 9.718 0.271 -4.765 1.00 54.14 C ATOM 982 C GLN A 59 11.068 0.947 -4.542 1.00 11.31 C ATOM 983 O GLN A 59 11.922 0.434 -3.842 1.00 44.11 O ATOM 984 CB GLN A 59 9.699 -0.665 -5.959 1.00 23.32 C ATOM 985 CG GLN A 59 9.819 0.006 -7.307 1.00 73.51 C ATOM 986 CD GLN A 59 9.603 -0.967 -8.441 1.00 32.23 C ATOM 987 OE1 GLN A 59 8.771 -1.962 -8.211 1.00 24.22 O flip ATOM 988 NE2 GLN A 59 10.164 -0.813 -9.516 1.00 30.23 N flip ATOM 0 H GLN A 59 8.289 1.351 -5.815 1.00 51.20 H new ATOM 0 HA GLN A 59 9.550 -0.344 -3.881 1.00 54.14 H new ATOM 0 HB2 GLN A 59 10.516 -1.379 -5.853 1.00 23.32 H new ATOM 0 HB3 GLN A 59 8.771 -1.236 -5.937 1.00 23.32 H new ATOM 0 HG2 GLN A 59 9.090 0.813 -7.377 1.00 73.51 H new ATOM 0 HG3 GLN A 59 10.806 0.459 -7.400 1.00 73.51 H new ATOM 0 HE21 GLN A 59 10.801 -0.028 -9.651 1.00 30.23 H new ATOM 0 HE22 GLN A 59 9.995 -1.470 -10.278 1.00 30.23 H new ATOM 997 N GLU A 60 11.224 2.144 -5.083 1.00 14.34 N ATOM 998 CA GLU A 60 12.478 2.889 -4.932 1.00 61.22 C ATOM 999 C GLU A 60 12.601 3.466 -3.507 1.00 10.01 C ATOM 1000 O GLU A 60 13.648 3.980 -3.095 1.00 24.35 O ATOM 1001 CB GLU A 60 12.583 3.990 -6.005 1.00 13.12 C ATOM 1002 CG GLU A 60 13.883 4.787 -5.983 1.00 55.22 C ATOM 1003 CD GLU A 60 13.926 5.865 -7.030 1.00 24.32 C ATOM 1004 OE1 GLU A 60 14.359 5.589 -8.155 1.00 21.11 O ATOM 1005 OE2 GLU A 60 13.526 7.016 -6.740 1.00 22.15 O ATOM 0 H GLU A 60 10.508 2.624 -5.628 1.00 14.34 H new ATOM 0 HA GLU A 60 13.313 2.204 -5.079 1.00 61.22 H new ATOM 0 HB2 GLU A 60 12.472 3.531 -6.987 1.00 13.12 H new ATOM 0 HB3 GLU A 60 11.749 4.680 -5.879 1.00 13.12 H new ATOM 0 HG2 GLU A 60 14.010 5.238 -4.999 1.00 55.22 H new ATOM 0 HG3 GLU A 60 14.722 4.108 -6.133 1.00 55.22 H new ATOM 1012 N TYR A 61 11.556 3.349 -2.764 1.00 63.02 N ATOM 1013 CA TYR A 61 11.522 3.843 -1.434 1.00 42.23 C ATOM 1014 C TYR A 61 11.457 2.672 -0.483 1.00 40.20 C ATOM 1015 O TYR A 61 12.398 2.386 0.235 1.00 55.11 O ATOM 1016 CB TYR A 61 10.324 4.799 -1.283 1.00 11.21 C ATOM 1017 CG TYR A 61 10.093 5.378 0.090 1.00 14.40 C ATOM 1018 CD1 TYR A 61 11.125 5.531 1.005 1.00 21.40 C ATOM 1019 CD2 TYR A 61 8.824 5.789 0.465 1.00 54.33 C ATOM 1020 CE1 TYR A 61 10.896 6.067 2.248 1.00 20.31 C ATOM 1021 CE2 TYR A 61 8.589 6.329 1.707 1.00 20.54 C ATOM 1022 CZ TYR A 61 9.633 6.466 2.596 1.00 45.23 C ATOM 1023 OH TYR A 61 9.406 7.004 3.845 1.00 54.40 O ATOM 0 H TYR A 61 10.691 2.902 -3.068 1.00 63.02 H new ATOM 0 HA TYR A 61 12.422 4.411 -1.198 1.00 42.23 H new ATOM 0 HB2 TYR A 61 10.456 5.624 -1.983 1.00 11.21 H new ATOM 0 HB3 TYR A 61 9.422 4.266 -1.584 1.00 11.21 H new ATOM 0 HD1 TYR A 61 12.124 5.223 0.735 1.00 21.40 H new ATOM 0 HD2 TYR A 61 8.005 5.683 -0.231 1.00 54.33 H new ATOM 0 HE1 TYR A 61 11.710 6.174 2.950 1.00 20.31 H new ATOM 0 HE2 TYR A 61 7.594 6.644 1.984 1.00 20.54 H new ATOM 0 HH TYR A 61 8.458 7.237 3.934 1.00 54.40 H new ATOM 1033 N LEU A 62 10.393 1.960 -0.545 1.00 41.33 N ATOM 1034 CA LEU A 62 10.167 0.846 0.339 1.00 42.55 C ATOM 1035 C LEU A 62 11.101 -0.314 0.079 1.00 5.35 C ATOM 1036 O LEU A 62 11.535 -0.975 1.006 1.00 64.53 O ATOM 1037 CB LEU A 62 8.712 0.386 0.295 1.00 51.34 C ATOM 1038 CG LEU A 62 7.650 1.302 0.938 1.00 2.15 C ATOM 1039 CD1 LEU A 62 7.964 1.589 2.397 1.00 63.20 C ATOM 1040 CD2 LEU A 62 7.469 2.583 0.156 1.00 31.24 C ATOM 0 H LEU A 62 9.639 2.124 -1.212 1.00 41.33 H new ATOM 0 HA LEU A 62 10.387 1.209 1.343 1.00 42.55 H new ATOM 0 HB2 LEU A 62 8.439 0.238 -0.750 1.00 51.34 H new ATOM 0 HB3 LEU A 62 8.653 -0.588 0.781 1.00 51.34 H new ATOM 0 HG LEU A 62 6.704 0.762 0.906 1.00 2.15 H new ATOM 0 HD11 LEU A 62 7.193 2.237 2.814 1.00 63.20 H new ATOM 0 HD12 LEU A 62 7.992 0.653 2.954 1.00 63.20 H new ATOM 0 HD13 LEU A 62 8.933 2.083 2.470 1.00 63.20 H new ATOM 0 HD21 LEU A 62 6.713 3.201 0.640 1.00 31.24 H new ATOM 0 HD22 LEU A 62 8.414 3.125 0.122 1.00 31.24 H new ATOM 0 HD23 LEU A 62 7.149 2.348 -0.859 1.00 31.24 H new ATOM 1052 N GLU A 63 11.478 -0.526 -1.143 1.00 4.33 N ATOM 1053 CA GLU A 63 12.259 -1.703 -1.439 1.00 61.30 C ATOM 1054 C GLU A 63 13.714 -1.380 -1.537 1.00 40.40 C ATOM 1055 O GLU A 63 14.546 -2.192 -1.228 1.00 14.33 O ATOM 1056 CB GLU A 63 11.777 -2.424 -2.696 1.00 74.24 C ATOM 1057 CG GLU A 63 10.452 -3.153 -2.544 1.00 2.02 C ATOM 1058 CD GLU A 63 10.520 -4.289 -1.552 1.00 5.43 C ATOM 1059 OE1 GLU A 63 11.375 -5.189 -1.718 1.00 12.11 O ATOM 1060 OE2 GLU A 63 9.720 -4.321 -0.615 1.00 14.43 O ATOM 0 H GLU A 63 11.269 0.078 -1.938 1.00 4.33 H new ATOM 0 HA GLU A 63 12.115 -2.387 -0.603 1.00 61.30 H new ATOM 0 HB2 GLU A 63 11.685 -1.696 -3.502 1.00 74.24 H new ATOM 0 HB3 GLU A 63 12.538 -3.142 -3.000 1.00 74.24 H new ATOM 0 HG2 GLU A 63 9.687 -2.444 -2.226 1.00 2.02 H new ATOM 0 HG3 GLU A 63 10.143 -3.542 -3.514 1.00 2.02 H new ATOM 1067 N LYS A 64 14.023 -0.176 -1.918 1.00 71.35 N ATOM 1068 CA LYS A 64 15.401 0.184 -2.098 1.00 31.23 C ATOM 1069 C LYS A 64 15.951 0.843 -0.850 1.00 31.35 C ATOM 1070 O LYS A 64 17.132 0.721 -0.548 1.00 50.52 O ATOM 1071 CB LYS A 64 15.598 1.077 -3.343 1.00 74.43 C ATOM 1072 CG LYS A 64 17.056 1.520 -3.665 1.00 24.33 C ATOM 1073 CD LYS A 64 17.992 0.404 -4.235 1.00 31.22 C ATOM 1074 CE LYS A 64 18.258 -0.764 -3.282 1.00 14.23 C ATOM 1075 NZ LYS A 64 19.252 -1.711 -3.827 1.00 53.45 N ATOM 0 H LYS A 64 13.350 0.567 -2.109 1.00 71.35 H new ATOM 0 HA LYS A 64 15.965 -0.733 -2.270 1.00 31.23 H new ATOM 0 HB2 LYS A 64 15.206 0.544 -4.209 1.00 74.43 H new ATOM 0 HB3 LYS A 64 14.990 1.973 -3.218 1.00 74.43 H new ATOM 0 HG2 LYS A 64 17.017 2.339 -4.384 1.00 24.33 H new ATOM 0 HG3 LYS A 64 17.506 1.916 -2.754 1.00 24.33 H new ATOM 0 HD2 LYS A 64 17.550 0.013 -5.151 1.00 31.22 H new ATOM 0 HD3 LYS A 64 18.946 0.855 -4.509 1.00 31.22 H new ATOM 0 HE2 LYS A 64 18.612 -0.378 -2.326 1.00 14.23 H new ATOM 0 HE3 LYS A 64 17.324 -1.292 -3.087 1.00 14.23 H new ATOM 0 HZ1 LYS A 64 19.149 -2.632 -3.355 1.00 53.45 H new ATOM 0 HZ2 LYS A 64 19.098 -1.826 -4.849 1.00 53.45 H new ATOM 0 HZ3 LYS A 64 20.210 -1.342 -3.661 1.00 53.45 H new ATOM 1089 N ALA A 65 15.104 1.511 -0.113 1.00 54.34 N ATOM 1090 CA ALA A 65 15.584 2.190 1.082 1.00 65.52 C ATOM 1091 C ALA A 65 15.306 1.377 2.331 1.00 52.44 C ATOM 1092 O ALA A 65 16.167 1.243 3.199 1.00 42.34 O ATOM 1093 CB ALA A 65 15.007 3.590 1.198 1.00 43.04 C ATOM 0 H ALA A 65 14.106 1.605 -0.302 1.00 54.34 H new ATOM 0 HA ALA A 65 16.665 2.288 0.986 1.00 65.52 H new ATOM 0 HB1 ALA A 65 15.387 4.067 2.102 1.00 43.04 H new ATOM 0 HB2 ALA A 65 15.299 4.177 0.328 1.00 43.04 H new ATOM 0 HB3 ALA A 65 13.920 3.532 1.248 1.00 43.04 H new ATOM 1099 N LEU A 66 14.119 0.812 2.417 1.00 62.13 N ATOM 1100 CA LEU A 66 13.743 0.039 3.605 1.00 53.14 C ATOM 1101 C LEU A 66 14.224 -1.401 3.534 1.00 52.03 C ATOM 1102 O LEU A 66 14.604 -1.990 4.546 1.00 62.04 O ATOM 1103 CB LEU A 66 12.226 0.110 3.911 1.00 74.42 C ATOM 1104 CG LEU A 66 11.658 1.442 4.477 1.00 54.33 C ATOM 1105 CD1 LEU A 66 12.322 1.793 5.789 1.00 12.34 C ATOM 1106 CD2 LEU A 66 11.779 2.596 3.496 1.00 31.41 C ATOM 0 H LEU A 66 13.400 0.866 1.695 1.00 62.13 H new ATOM 0 HA LEU A 66 14.258 0.513 4.440 1.00 53.14 H new ATOM 0 HB2 LEU A 66 11.689 -0.118 2.991 1.00 74.42 H new ATOM 0 HB3 LEU A 66 11.991 -0.682 4.622 1.00 74.42 H new ATOM 0 HG LEU A 66 10.594 1.280 4.648 1.00 54.33 H new ATOM 0 HD11 LEU A 66 11.909 2.728 6.167 1.00 12.34 H new ATOM 0 HD12 LEU A 66 12.141 0.998 6.513 1.00 12.34 H new ATOM 0 HD13 LEU A 66 13.395 1.906 5.635 1.00 12.34 H new ATOM 0 HD21 LEU A 66 11.367 3.500 3.945 1.00 31.41 H new ATOM 0 HD22 LEU A 66 12.829 2.758 3.253 1.00 31.41 H new ATOM 0 HD23 LEU A 66 11.228 2.359 2.586 1.00 31.41 H new ATOM 1118 N ASN A 67 14.213 -1.959 2.361 1.00 74.33 N ATOM 1119 CA ASN A 67 14.669 -3.328 2.169 1.00 73.43 C ATOM 1120 C ASN A 67 16.115 -3.361 1.710 1.00 63.32 C ATOM 1121 O ASN A 67 16.935 -4.073 2.291 1.00 2.52 O ATOM 1122 CB ASN A 67 13.739 -4.087 1.210 1.00 72.22 C ATOM 1123 CG ASN A 67 12.401 -4.446 1.846 1.00 31.22 C ATOM 1124 OD1 ASN A 67 12.234 -5.534 2.404 1.00 65.12 O ATOM 1125 ND2 ASN A 67 11.456 -3.558 1.790 1.00 53.11 N ATOM 0 H ASN A 67 13.894 -1.495 1.510 1.00 74.33 H new ATOM 0 HA ASN A 67 14.627 -3.841 3.130 1.00 73.43 H new ATOM 0 HB2 ASN A 67 13.563 -3.478 0.324 1.00 72.22 H new ATOM 0 HB3 ASN A 67 14.234 -4.999 0.877 1.00 72.22 H new ATOM 0 HD21 ASN A 67 10.549 -3.752 2.214 1.00 53.11 H new ATOM 0 HD22 ASN A 67 11.621 -2.667 1.322 1.00 53.11 H new ATOM 1132 N LYS A 68 16.412 -2.574 0.682 1.00 23.52 N ATOM 1133 CA LYS A 68 17.746 -2.404 0.118 1.00 35.15 C ATOM 1134 C LYS A 68 18.224 -3.669 -0.601 1.00 71.51 C ATOM 1135 O LYS A 68 18.864 -4.531 0.023 1.00 40.09 O ATOM 1136 CB LYS A 68 18.766 -1.922 1.168 1.00 25.03 C ATOM 1137 CG LYS A 68 20.140 -1.666 0.596 1.00 72.03 C ATOM 1138 CD LYS A 68 21.133 -1.294 1.672 1.00 13.24 C ATOM 1139 CE LYS A 68 22.518 -1.124 1.083 1.00 60.13 C ATOM 1140 NZ LYS A 68 23.542 -0.867 2.112 1.00 62.55 N ATOM 1141 OXT LYS A 68 17.949 -3.802 -1.805 1.00 40.09 O ATOM 0 H LYS A 68 15.705 -2.017 0.201 1.00 23.52 H new ATOM 0 HA LYS A 68 17.672 -1.616 -0.631 1.00 35.15 H new ATOM 0 HB2 LYS A 68 18.396 -1.006 1.629 1.00 25.03 H new ATOM 0 HB3 LYS A 68 18.843 -2.669 1.958 1.00 25.03 H new ATOM 0 HG2 LYS A 68 20.488 -2.556 0.072 1.00 72.03 H new ATOM 0 HG3 LYS A 68 20.084 -0.864 -0.140 1.00 72.03 H new ATOM 0 HD2 LYS A 68 20.822 -0.369 2.157 1.00 13.24 H new ATOM 0 HD3 LYS A 68 21.151 -2.067 2.441 1.00 13.24 H new ATOM 0 HE2 LYS A 68 22.785 -2.022 0.526 1.00 60.13 H new ATOM 0 HE3 LYS A 68 22.508 -0.299 0.371 1.00 60.13 H new ATOM 0 HZ1 LYS A 68 24.471 -0.758 1.658 1.00 62.55 H new ATOM 0 HZ2 LYS A 68 23.305 0.004 2.628 1.00 62.55 H new ATOM 0 HZ3 LYS A 68 23.573 -1.666 2.778 1.00 62.55 H new TER 1155 LYS A 68