USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 574 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 44 ASN : amide:sc= -1.73 K(o=-9,f=-16!) USER MOD Set 1.2: A 45 ASN : amide:sc= -7.29! C(o=-9!,f=-15!) USER MOD Set 2.1: A 31 THR OG1 : rot -100:sc= -1 USER MOD Set 2.2: A 37 GLN : amide:sc= -7.47! C(o=-8.5!,f=-5.9!) 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 -62:sc= 1.03 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.03) USER MOD Single : A 22 ASN : amide:sc= -3.01 K(o=-3,f=-15!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.014) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0493 K(o=-0.049,f=-1.5!) USER MOD Single : A 48 GLN : amide:sc= -0.0185 X(o=-0.018,f=-0.12) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.43) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.0128 K(o=-0.013,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.271 -25.358 -1.013 1.00 0.00 N ATOM 2 CA LYS A 1 -11.331 -24.268 0.001 1.00 0.00 C ATOM 3 C LYS A 1 -12.610 -24.410 0.830 1.00 0.00 C ATOM 4 O LYS A 1 -13.645 -23.840 0.482 1.00 0.00 O ATOM 5 CB LYS A 1 -11.330 -22.912 -0.707 1.00 0.00 C ATOM 6 CG LYS A 1 -9.895 -22.394 -0.820 1.00 0.00 C ATOM 7 CD LYS A 1 -9.913 -20.927 -1.255 1.00 0.00 C ATOM 8 CE LYS A 1 -8.620 -20.601 -2.003 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.681 -19.202 -2.514 1.00 0.00 N ATOM 0 H1 LYS A 1 -10.402 -25.261 -1.576 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.271 -26.280 -0.532 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.098 -25.295 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.464 -24.336 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.772 -23.008 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.942 -22.200 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.385 -22.494 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.338 -22.991 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.774 -20.737 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.015 -20.280 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.763 -20.720 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.481 -21.296 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.802 -18.980 -3.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.490 -19.104 -3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.794 -18.545 -1.715 1.00 0.00 H new ATOM 25 N PRO A 2 -12.561 -25.171 1.935 1.00 0.00 N ATOM 26 CA PRO A 2 -13.735 -25.377 2.807 1.00 0.00 C ATOM 27 C PRO A 2 -13.923 -24.243 3.814 1.00 0.00 C ATOM 28 O PRO A 2 -13.806 -24.439 5.024 1.00 0.00 O ATOM 29 CB PRO A 2 -13.398 -26.683 3.517 1.00 0.00 C ATOM 30 CG PRO A 2 -11.883 -26.828 3.491 1.00 0.00 C ATOM 31 CD PRO A 2 -11.349 -25.884 2.409 1.00 0.00 C ATOM 0 HA PRO A 2 -14.670 -25.403 2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.766 -26.670 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -13.874 -27.527 3.018 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.457 -26.578 4.463 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.600 -27.858 3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.609 -25.192 2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.866 -26.433 1.601 1.00 0.00 H new ATOM 39 N VAL A 3 -14.218 -23.053 3.299 1.00 0.00 N ATOM 40 CA VAL A 3 -14.422 -21.891 4.160 1.00 0.00 C ATOM 41 C VAL A 3 -14.835 -20.679 3.326 1.00 0.00 C ATOM 42 O VAL A 3 -15.719 -19.912 3.707 1.00 0.00 O ATOM 43 CB VAL A 3 -13.139 -21.580 4.949 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.002 -21.217 3.985 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.388 -20.413 5.915 1.00 0.00 C ATOM 0 H VAL A 3 -14.320 -22.868 2.301 1.00 0.00 H new ATOM 0 HA VAL A 3 -15.221 -22.118 4.866 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.855 -22.464 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.098 -20.999 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.814 -22.054 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.285 -20.340 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.475 -20.199 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.685 -19.530 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.182 -20.681 6.612 1.00 0.00 H new ATOM 55 N SER A 4 -14.179 -20.523 2.185 1.00 0.00 N ATOM 56 CA SER A 4 -14.470 -19.407 1.287 1.00 0.00 C ATOM 57 C SER A 4 -14.229 -18.073 1.992 1.00 0.00 C ATOM 58 O SER A 4 -15.165 -17.415 2.447 1.00 0.00 O ATOM 59 CB SER A 4 -15.922 -19.469 0.809 1.00 0.00 C ATOM 60 OG SER A 4 -16.042 -20.462 -0.201 1.00 0.00 O ATOM 0 H SER A 4 -13.444 -21.150 1.857 1.00 0.00 H new ATOM 0 HA SER A 4 -13.804 -19.485 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.582 -19.702 1.644 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.231 -18.499 0.420 1.00 0.00 H new ATOM 0 HG SER A 4 -16.972 -20.505 -0.508 1.00 0.00 H new ATOM 66 N LEU A 5 -12.960 -17.684 2.077 1.00 0.00 N ATOM 67 CA LEU A 5 -12.600 -16.427 2.727 1.00 0.00 C ATOM 68 C LEU A 5 -11.898 -15.504 1.733 1.00 0.00 C ATOM 69 O LEU A 5 -11.882 -15.764 0.530 1.00 0.00 O ATOM 70 CB LEU A 5 -11.672 -16.692 3.921 1.00 0.00 C ATOM 71 CG LEU A 5 -12.047 -15.765 5.082 1.00 0.00 C ATOM 72 CD1 LEU A 5 -12.969 -16.503 6.054 1.00 0.00 C ATOM 73 CD2 LEU A 5 -10.777 -15.330 5.818 1.00 0.00 C ATOM 0 H LEU A 5 -12.171 -18.215 1.708 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.512 -15.948 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -11.754 -17.733 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.634 -16.526 3.631 1.00 0.00 H new ATOM 0 HG LEU A 5 -12.562 -14.888 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.234 -15.841 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.875 -16.813 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.457 -17.382 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -11.043 -14.670 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.263 -16.209 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.120 -14.800 5.128 1.00 0.00 H new ATOM 85 N SER A 6 -11.319 -14.418 2.251 1.00 0.00 N ATOM 86 CA SER A 6 -10.613 -13.451 1.407 1.00 0.00 C ATOM 87 C SER A 6 -11.532 -12.917 0.308 1.00 0.00 C ATOM 88 O SER A 6 -12.732 -13.191 0.293 1.00 0.00 O ATOM 89 CB SER A 6 -9.373 -14.090 0.772 1.00 0.00 C ATOM 90 OG SER A 6 -9.755 -14.866 -0.358 1.00 0.00 O ATOM 0 H SER A 6 -11.325 -14.187 3.244 1.00 0.00 H new ATOM 0 HA SER A 6 -10.301 -12.622 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.667 -13.316 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.863 -14.720 1.501 1.00 0.00 H new ATOM 0 HG SER A 6 -10.346 -15.593 -0.071 1.00 0.00 H new ATOM 96 N TYR A 7 -10.950 -12.152 -0.612 1.00 0.00 N ATOM 97 CA TYR A 7 -11.723 -11.582 -1.712 1.00 0.00 C ATOM 98 C TYR A 7 -10.984 -11.765 -3.034 1.00 0.00 C ATOM 99 O TYR A 7 -9.837 -12.210 -3.065 1.00 0.00 O ATOM 100 CB TYR A 7 -11.964 -10.090 -1.481 1.00 0.00 C ATOM 101 CG TYR A 7 -12.742 -9.896 -0.201 1.00 0.00 C ATOM 102 CD1 TYR A 7 -12.091 -9.995 1.035 1.00 0.00 C ATOM 103 CD2 TYR A 7 -14.113 -9.618 -0.250 1.00 0.00 C ATOM 104 CE1 TYR A 7 -12.812 -9.815 2.222 1.00 0.00 C ATOM 105 CE2 TYR A 7 -14.833 -9.438 0.936 1.00 0.00 C ATOM 106 CZ TYR A 7 -14.183 -9.537 2.172 1.00 0.00 C ATOM 107 OH TYR A 7 -14.894 -9.360 3.342 1.00 0.00 O ATOM 0 H TYR A 7 -9.958 -11.915 -0.619 1.00 0.00 H new ATOM 0 HA TYR A 7 -12.680 -12.102 -1.754 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -11.012 -9.562 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -12.514 -9.666 -2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -11.033 -10.210 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -14.615 -9.542 -1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -12.310 -9.891 3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -15.891 -9.223 0.898 1.00 0.00 H new ATOM 0 HH TYR A 7 -15.832 -9.173 3.130 1.00 0.00 H new ATOM 117 N ARG A 8 -11.659 -11.415 -4.125 1.00 0.00 N ATOM 118 CA ARG A 8 -11.061 -11.539 -5.453 1.00 0.00 C ATOM 119 C ARG A 8 -10.005 -10.457 -5.696 1.00 0.00 C ATOM 120 O ARG A 8 -9.201 -10.559 -6.622 1.00 0.00 O ATOM 121 CB ARG A 8 -12.138 -11.431 -6.535 1.00 0.00 C ATOM 122 CG ARG A 8 -12.752 -12.810 -6.785 1.00 0.00 C ATOM 123 CD ARG A 8 -11.996 -13.509 -7.916 1.00 0.00 C ATOM 124 NE ARG A 8 -10.561 -13.530 -7.644 1.00 0.00 N ATOM 125 CZ ARG A 8 -9.879 -14.671 -7.643 1.00 0.00 C ATOM 126 NH1 ARG A 8 -9.737 -15.346 -8.752 1.00 0.00 N ATOM 127 NH2 ARG A 8 -9.351 -15.117 -6.537 1.00 0.00 N ATOM 0 H ARG A 8 -12.610 -11.047 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.581 -12.516 -5.502 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.911 -10.728 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -11.705 -11.042 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.705 -13.411 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.805 -12.709 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.364 -14.529 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.185 -12.995 -8.858 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.074 -12.655 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.149 -14.997 -9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.214 -16.222 -8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.461 -14.590 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.828 -15.993 -6.538 1.00 0.00 H new ATOM 141 N CYS A 9 -10.011 -9.416 -4.858 1.00 0.00 N ATOM 142 CA CYS A 9 -9.046 -8.324 -5.001 1.00 0.00 C ATOM 143 C CYS A 9 -7.608 -8.859 -4.965 1.00 0.00 C ATOM 144 O CYS A 9 -7.380 -10.000 -4.564 1.00 0.00 O ATOM 145 CB CYS A 9 -9.245 -7.302 -3.878 1.00 0.00 C ATOM 146 SG CYS A 9 -10.573 -6.167 -4.348 1.00 0.00 S ATOM 0 H CYS A 9 -10.665 -9.307 -4.083 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.213 -7.842 -5.965 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.495 -7.810 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.322 -6.750 -3.703 1.00 0.00 H new ATOM 151 N PRO A 10 -6.622 -8.054 -5.398 1.00 0.00 N ATOM 152 CA PRO A 10 -5.207 -8.483 -5.420 1.00 0.00 C ATOM 153 C PRO A 10 -4.533 -8.400 -4.055 1.00 0.00 C ATOM 154 O PRO A 10 -4.078 -9.406 -3.510 1.00 0.00 O ATOM 155 CB PRO A 10 -4.572 -7.506 -6.401 1.00 0.00 C ATOM 156 CG PRO A 10 -5.449 -6.264 -6.424 1.00 0.00 C ATOM 157 CD PRO A 10 -6.826 -6.667 -5.890 1.00 0.00 C ATOM 0 HA PRO A 10 -5.103 -9.531 -5.703 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.557 -7.255 -6.093 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.503 -7.948 -7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.014 -5.476 -5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.530 -5.870 -7.437 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.155 -6.003 -5.091 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.586 -6.627 -6.671 1.00 0.00 H new ATOM 165 N CYS A 11 -4.470 -7.191 -3.509 1.00 0.00 N ATOM 166 CA CYS A 11 -3.842 -6.988 -2.203 1.00 0.00 C ATOM 167 C CYS A 11 -4.540 -7.819 -1.133 1.00 0.00 C ATOM 168 O CYS A 11 -5.737 -8.096 -1.216 1.00 0.00 O ATOM 169 CB CYS A 11 -3.895 -5.515 -1.796 1.00 0.00 C ATOM 170 SG CYS A 11 -2.496 -4.628 -2.529 1.00 0.00 S ATOM 0 H CYS A 11 -4.840 -6.345 -3.941 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.802 -7.303 -2.288 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.834 -5.070 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.865 -5.427 -0.710 1.00 0.00 H new ATOM 175 N ARG A 12 -3.771 -8.210 -0.126 1.00 0.00 N ATOM 176 CA ARG A 12 -4.303 -9.011 0.973 1.00 0.00 C ATOM 177 C ARG A 12 -3.566 -8.672 2.261 1.00 0.00 C ATOM 178 O ARG A 12 -4.176 -8.412 3.299 1.00 0.00 O ATOM 179 CB ARG A 12 -4.140 -10.505 0.681 1.00 0.00 C ATOM 180 CG ARG A 12 -4.824 -10.844 -0.643 1.00 0.00 C ATOM 181 CD ARG A 12 -5.124 -12.343 -0.694 1.00 0.00 C ATOM 182 NE ARG A 12 -5.163 -12.815 -2.076 1.00 0.00 N ATOM 183 CZ ARG A 12 -4.796 -14.055 -2.386 1.00 0.00 C ATOM 184 NH1 ARG A 12 -3.533 -14.386 -2.373 1.00 0.00 N ATOM 185 NH2 ARG A 12 -5.699 -14.942 -2.704 1.00 0.00 N ATOM 0 H ARG A 12 -2.779 -7.987 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.364 -8.784 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.082 -10.763 0.633 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.575 -11.094 1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.748 -10.274 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.183 -10.562 -1.478 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.362 -12.890 -0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.079 -12.545 -0.209 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.476 -12.184 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.827 -13.693 -2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.253 -15.337 -2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.686 -14.684 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.418 -15.893 -2.942 1.00 0.00 H new ATOM 199 N PHE A 13 -2.241 -8.664 2.173 1.00 0.00 N ATOM 200 CA PHE A 13 -1.409 -8.340 3.328 1.00 0.00 C ATOM 201 C PHE A 13 -0.735 -6.992 3.108 1.00 0.00 C ATOM 202 O PHE A 13 -0.174 -6.730 2.044 1.00 0.00 O ATOM 203 CB PHE A 13 -0.333 -9.405 3.546 1.00 0.00 C ATOM 204 CG PHE A 13 -0.966 -10.776 3.564 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.519 -11.276 4.749 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.001 -11.547 2.396 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.106 -12.548 4.766 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.587 -12.818 2.414 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.141 -13.318 3.598 1.00 0.00 C ATOM 0 H PHE A 13 -1.722 -8.876 1.321 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.049 -8.303 4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.413 -9.349 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.187 -9.222 4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.493 -10.681 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.576 -11.161 1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.531 -12.934 5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.612 -13.413 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.595 -14.298 3.610 1.00 0.00 H new ATOM 219 N PHE A 14 -0.802 -6.135 4.119 1.00 0.00 N ATOM 220 CA PHE A 14 -0.200 -4.811 4.016 1.00 0.00 C ATOM 221 C PHE A 14 1.028 -4.698 4.905 1.00 0.00 C ATOM 222 O PHE A 14 0.990 -5.030 6.089 1.00 0.00 O ATOM 223 CB PHE A 14 -1.201 -3.733 4.426 1.00 0.00 C ATOM 224 CG PHE A 14 -2.154 -3.484 3.288 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.111 -4.447 2.946 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.075 -2.290 2.570 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.990 -4.210 1.882 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.951 -2.051 1.509 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.910 -3.011 1.163 1.00 0.00 C ATOM 0 H PHE A 14 -1.261 -6.329 5.009 1.00 0.00 H new ATOM 0 HA PHE A 14 0.093 -4.667 2.976 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.750 -4.048 5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.677 -2.813 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.171 -5.371 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.335 -1.549 2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.729 -4.951 1.616 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.889 -1.126 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.587 -2.827 0.342 1.00 0.00 H new ATOM 239 N GLU A 15 2.117 -4.215 4.319 1.00 0.00 N ATOM 240 CA GLU A 15 3.355 -4.049 5.070 1.00 0.00 C ATOM 241 C GLU A 15 3.536 -2.585 5.463 1.00 0.00 C ATOM 242 O GLU A 15 4.282 -1.845 4.827 1.00 0.00 O ATOM 243 CB GLU A 15 4.555 -4.500 4.235 1.00 0.00 C ATOM 244 CG GLU A 15 5.650 -5.033 5.162 1.00 0.00 C ATOM 245 CD GLU A 15 6.873 -5.418 4.337 1.00 0.00 C ATOM 246 OE1 GLU A 15 7.468 -4.531 3.747 1.00 0.00 O ATOM 247 OE2 GLU A 15 7.197 -6.594 4.307 1.00 0.00 O ATOM 0 H GLU A 15 2.169 -3.935 3.340 1.00 0.00 H new ATOM 0 HA GLU A 15 3.295 -4.664 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.251 -5.274 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.936 -3.666 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.919 -4.275 5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.284 -5.898 5.715 1.00 0.00 H new ATOM 254 N SER A 16 2.841 -2.169 6.520 1.00 0.00 N ATOM 255 CA SER A 16 2.940 -0.784 6.984 1.00 0.00 C ATOM 256 C SER A 16 4.393 -0.416 7.299 1.00 0.00 C ATOM 257 O SER A 16 4.763 0.757 7.292 1.00 0.00 O ATOM 258 CB SER A 16 2.086 -0.568 8.234 1.00 0.00 C ATOM 259 OG SER A 16 2.356 -1.600 9.173 1.00 0.00 O ATOM 0 H SER A 16 2.212 -2.759 7.065 1.00 0.00 H new ATOM 0 HA SER A 16 2.574 -0.143 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.304 0.405 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.028 -0.569 7.970 1.00 0.00 H new ATOM 0 HG SER A 16 1.811 -1.463 9.976 1.00 0.00 H new ATOM 265 N HIS A 17 5.218 -1.431 7.565 1.00 0.00 N ATOM 266 CA HIS A 17 6.628 -1.195 7.868 1.00 0.00 C ATOM 267 C HIS A 17 7.323 -0.470 6.710 1.00 0.00 C ATOM 268 O HIS A 17 8.370 0.150 6.894 1.00 0.00 O ATOM 269 CB HIS A 17 7.347 -2.523 8.127 1.00 0.00 C ATOM 270 CG HIS A 17 8.406 -2.330 9.179 1.00 0.00 C ATOM 271 ND1 HIS A 17 8.514 -3.166 10.279 1.00 0.00 N ATOM 272 CD2 HIS A 17 9.409 -1.402 9.312 1.00 0.00 C ATOM 273 CE1 HIS A 17 9.550 -2.728 11.019 1.00 0.00 C ATOM 274 NE2 HIS A 17 10.129 -1.656 10.475 1.00 0.00 N ATOM 0 H HIS A 17 4.938 -2.412 7.577 1.00 0.00 H new ATOM 0 HA HIS A 17 6.675 -0.571 8.760 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.631 -3.278 8.452 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.799 -2.889 7.205 1.00 0.00 H new ATOM 0 HD2 HIS A 17 9.609 -0.598 8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.873 -3.188 11.941 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.928 -1.134 10.835 1.00 0.00 H new ATOM 282 N VAL A 18 6.730 -0.552 5.512 1.00 0.00 N ATOM 283 CA VAL A 18 7.299 0.098 4.335 1.00 0.00 C ATOM 284 C VAL A 18 7.506 1.589 4.588 1.00 0.00 C ATOM 285 O VAL A 18 6.843 2.197 5.429 1.00 0.00 O ATOM 286 CB VAL A 18 6.365 -0.080 3.125 1.00 0.00 C ATOM 287 CG1 VAL A 18 6.985 0.563 1.877 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.138 -1.575 2.865 1.00 0.00 C ATOM 0 H VAL A 18 5.863 -1.059 5.337 1.00 0.00 H new ATOM 0 HA VAL A 18 8.263 -0.367 4.127 1.00 0.00 H new ATOM 0 HB VAL A 18 5.413 0.405 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.314 0.430 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.139 1.627 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.942 0.089 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.476 -1.699 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.093 -2.058 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.683 -2.032 3.744 1.00 0.00 H new ATOM 298 N ALA A 19 8.432 2.160 3.835 1.00 0.00 N ATOM 299 CA ALA A 19 8.736 3.577 3.951 1.00 0.00 C ATOM 300 C ALA A 19 9.161 4.122 2.595 1.00 0.00 C ATOM 301 O ALA A 19 9.880 3.467 1.848 1.00 0.00 O ATOM 302 CB ALA A 19 9.858 3.808 4.962 1.00 0.00 C ATOM 0 H ALA A 19 8.986 1.664 3.137 1.00 0.00 H new ATOM 0 HA ALA A 19 7.841 4.095 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.070 4.875 5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.551 3.433 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.755 3.281 4.637 1.00 0.00 H new ATOM 308 N ARG A 20 8.699 5.331 2.285 1.00 0.00 N ATOM 309 CA ARG A 20 9.013 5.986 1.004 1.00 0.00 C ATOM 310 C ARG A 20 10.478 5.798 0.591 1.00 0.00 C ATOM 311 O ARG A 20 10.800 5.781 -0.598 1.00 0.00 O ATOM 312 CB ARG A 20 8.715 7.480 1.098 1.00 0.00 C ATOM 313 CG ARG A 20 8.380 8.029 -0.292 1.00 0.00 C ATOM 314 CD ARG A 20 9.626 8.671 -0.905 1.00 0.00 C ATOM 315 NE ARG A 20 9.967 9.906 -0.205 1.00 0.00 N ATOM 316 CZ ARG A 20 11.163 10.469 -0.351 1.00 0.00 C ATOM 317 NH1 ARG A 20 11.462 11.088 -1.460 1.00 0.00 N ATOM 318 NH2 ARG A 20 12.038 10.401 0.615 1.00 0.00 N ATOM 0 H ARG A 20 8.103 5.884 2.901 1.00 0.00 H new ATOM 0 HA ARG A 20 8.387 5.515 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.881 7.652 1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.576 8.007 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.019 7.225 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.578 8.764 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.463 7.975 -0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.451 8.881 -1.960 1.00 0.00 H new ATOM 0 HE ARG A 20 9.277 10.344 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.778 11.140 -2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.379 11.520 -1.572 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.804 9.916 1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.955 10.833 0.503 1.00 0.00 H new ATOM 332 N ALA A 21 11.357 5.656 1.578 1.00 0.00 N ATOM 333 CA ALA A 21 12.776 5.473 1.296 1.00 0.00 C ATOM 334 C ALA A 21 13.024 4.176 0.531 1.00 0.00 C ATOM 335 O ALA A 21 13.488 4.193 -0.609 1.00 0.00 O ATOM 336 CB ALA A 21 13.584 5.447 2.595 1.00 0.00 C ATOM 0 H ALA A 21 11.116 5.664 2.569 1.00 0.00 H new ATOM 0 HA ALA A 21 13.097 6.314 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.640 5.310 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.448 6.389 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.240 4.624 3.221 1.00 0.00 H new ATOM 342 N ASN A 22 12.720 3.053 1.170 1.00 0.00 N ATOM 343 CA ASN A 22 12.927 1.754 0.538 1.00 0.00 C ATOM 344 C ASN A 22 11.943 1.527 -0.612 1.00 0.00 C ATOM 345 O ASN A 22 12.150 0.650 -1.444 1.00 0.00 O ATOM 346 CB ASN A 22 12.808 0.622 1.575 1.00 0.00 C ATOM 347 CG ASN A 22 11.375 0.473 2.093 1.00 0.00 C ATOM 348 OD1 ASN A 22 10.448 1.103 1.592 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.140 -0.347 3.080 1.00 0.00 N ATOM 0 H ASN A 22 12.334 3.013 2.113 1.00 0.00 H new ATOM 0 HA ASN A 22 13.935 1.746 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.132 -0.317 1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.478 0.823 2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.190 -0.462 3.432 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.907 -0.873 3.500 1.00 0.00 H new ATOM 356 N VAL A 23 10.876 2.326 -0.663 1.00 0.00 N ATOM 357 CA VAL A 23 9.902 2.172 -1.739 1.00 0.00 C ATOM 358 C VAL A 23 10.537 2.582 -3.059 1.00 0.00 C ATOM 359 O VAL A 23 11.132 3.654 -3.175 1.00 0.00 O ATOM 360 CB VAL A 23 8.655 3.023 -1.483 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.591 2.705 -2.536 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.096 2.720 -0.083 1.00 0.00 C ATOM 0 H VAL A 23 10.669 3.066 0.008 1.00 0.00 H new ATOM 0 HA VAL A 23 9.598 1.126 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 23 8.923 4.078 -1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.704 3.312 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.983 2.927 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.326 1.649 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.209 3.328 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.831 1.665 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.851 2.952 0.668 1.00 0.00 H new ATOM 372 N LYS A 24 10.421 1.706 -4.046 1.00 0.00 N ATOM 373 CA LYS A 24 11.003 1.968 -5.359 1.00 0.00 C ATOM 374 C LYS A 24 10.012 2.696 -6.255 1.00 0.00 C ATOM 375 O LYS A 24 10.341 3.709 -6.872 1.00 0.00 O ATOM 376 CB LYS A 24 11.412 0.658 -6.033 1.00 0.00 C ATOM 377 CG LYS A 24 12.545 0.925 -7.026 1.00 0.00 C ATOM 378 CD LYS A 24 11.956 1.363 -8.368 1.00 0.00 C ATOM 379 CE LYS A 24 13.003 1.184 -9.469 1.00 0.00 C ATOM 380 NZ LYS A 24 12.327 0.801 -10.741 1.00 0.00 N ATOM 0 H LYS A 24 9.934 0.813 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 24 11.883 2.595 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.735 -0.064 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.558 0.220 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.208 1.699 -6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.147 0.026 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.068 0.774 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.642 2.406 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.563 2.109 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.721 0.416 -9.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.039 0.679 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.812 -0.092 -10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.658 1.548 -11.017 1.00 0.00 H new ATOM 394 N HIS A 25 8.793 2.170 -6.327 1.00 0.00 N ATOM 395 CA HIS A 25 7.769 2.789 -7.164 1.00 0.00 C ATOM 396 C HIS A 25 6.375 2.501 -6.619 1.00 0.00 C ATOM 397 O HIS A 25 6.139 1.470 -5.990 1.00 0.00 O ATOM 398 CB HIS A 25 7.860 2.263 -8.598 1.00 0.00 C ATOM 399 CG HIS A 25 7.343 3.306 -9.549 1.00 0.00 C ATOM 400 ND1 HIS A 25 6.818 2.979 -10.790 1.00 0.00 N ATOM 401 CD2 HIS A 25 7.264 4.673 -9.457 1.00 0.00 C ATOM 402 CE1 HIS A 25 6.450 4.127 -11.389 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.699 5.190 -10.619 1.00 0.00 N ATOM 0 H HIS A 25 8.493 1.333 -5.827 1.00 0.00 H new ATOM 0 HA HIS A 25 7.942 3.865 -7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.893 2.015 -8.841 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.280 1.346 -8.698 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.591 5.259 -8.611 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.007 4.182 -12.373 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.515 6.169 -10.836 1.00 0.00 H new ATOM 411 N LEU A 26 5.453 3.425 -6.875 1.00 0.00 N ATOM 412 CA LEU A 26 4.079 3.259 -6.411 1.00 0.00 C ATOM 413 C LEU A 26 3.181 2.802 -7.550 1.00 0.00 C ATOM 414 O LEU A 26 3.338 3.216 -8.698 1.00 0.00 O ATOM 415 CB LEU A 26 3.514 4.571 -5.869 1.00 0.00 C ATOM 416 CG LEU A 26 3.980 4.816 -4.430 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.391 6.138 -3.935 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.494 3.684 -3.519 1.00 0.00 C ATOM 0 H LEU A 26 5.628 4.285 -7.394 1.00 0.00 H new ATOM 0 HA LEU A 26 4.100 2.511 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.832 5.398 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.425 4.544 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 26 5.069 4.853 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.717 6.321 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.733 6.951 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.303 6.085 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.831 3.868 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.405 3.642 -3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.900 2.735 -3.869 1.00 0.00 H new ATOM 430 N LYS A 27 2.225 1.954 -7.205 1.00 0.00 N ATOM 431 CA LYS A 27 1.271 1.444 -8.185 1.00 0.00 C ATOM 432 C LYS A 27 -0.069 1.189 -7.504 1.00 0.00 C ATOM 433 O LYS A 27 -0.128 0.994 -6.293 1.00 0.00 O ATOM 434 CB LYS A 27 1.780 0.143 -8.811 1.00 0.00 C ATOM 435 CG LYS A 27 2.581 0.464 -10.075 1.00 0.00 C ATOM 436 CD LYS A 27 2.389 -0.658 -11.099 1.00 0.00 C ATOM 437 CE LYS A 27 3.498 -1.699 -10.930 1.00 0.00 C ATOM 438 NZ LYS A 27 3.792 -2.329 -12.248 1.00 0.00 N ATOM 0 H LYS A 27 2.087 1.603 -6.257 1.00 0.00 H new ATOM 0 HA LYS A 27 1.152 2.187 -8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.405 -0.396 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.941 -0.508 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.252 1.415 -10.495 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.638 0.572 -9.831 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.414 -1.125 -10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.410 -0.250 -12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.396 -1.228 -10.532 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.192 -2.459 -10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.546 -3.037 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.934 -2.792 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.102 -1.599 -12.921 1.00 0.00 H new ATOM 452 N ILE A 28 -1.147 1.204 -8.283 1.00 0.00 N ATOM 453 CA ILE A 28 -2.472 0.979 -7.721 1.00 0.00 C ATOM 454 C ILE A 28 -3.317 0.123 -8.660 1.00 0.00 C ATOM 455 O ILE A 28 -3.125 0.128 -9.876 1.00 0.00 O ATOM 456 CB ILE A 28 -3.182 2.314 -7.489 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.283 3.238 -6.660 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.486 2.069 -6.734 1.00 0.00 C ATOM 459 CD1 ILE A 28 -2.923 4.624 -6.567 1.00 0.00 C ATOM 0 H ILE A 28 -1.130 1.367 -9.290 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.351 0.458 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.396 2.782 -8.450 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.140 2.824 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.297 3.311 -7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.994 3.019 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.128 1.412 -7.321 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.268 1.601 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.284 5.281 -5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.043 5.037 -7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.899 4.543 -6.089 1.00 0.00 H new ATOM 471 N LEU A 29 -4.264 -0.606 -8.074 1.00 0.00 N ATOM 472 CA LEU A 29 -5.151 -1.463 -8.855 1.00 0.00 C ATOM 473 C LEU A 29 -6.606 -1.146 -8.524 1.00 0.00 C ATOM 474 O LEU A 29 -7.067 -1.376 -7.406 1.00 0.00 O ATOM 475 CB LEU A 29 -4.880 -2.938 -8.553 1.00 0.00 C ATOM 476 CG LEU A 29 -3.423 -3.267 -8.882 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.099 -4.684 -8.403 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.211 -3.180 -10.394 1.00 0.00 C ATOM 0 H LEU A 29 -4.436 -0.621 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.963 -1.274 -9.912 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.083 -3.148 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.548 -3.569 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.767 -2.555 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.061 -4.919 -8.637 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.251 -4.748 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.754 -5.396 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.173 -3.414 -10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.867 -3.892 -10.895 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.442 -2.171 -10.736 1.00 0.00 H new ATOM 490 N ASN A 30 -7.322 -0.607 -9.507 1.00 0.00 N ATOM 491 CA ASN A 30 -8.725 -0.252 -9.305 1.00 0.00 C ATOM 492 C ASN A 30 -9.611 -1.488 -9.415 1.00 0.00 C ATOM 493 O ASN A 30 -10.016 -1.891 -10.506 1.00 0.00 O ATOM 494 CB ASN A 30 -9.173 0.775 -10.348 1.00 0.00 C ATOM 495 CG ASN A 30 -10.334 1.591 -9.791 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.466 1.111 -9.730 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.120 2.810 -9.377 1.00 0.00 N ATOM 0 H ASN A 30 -6.961 -0.408 -10.440 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.822 0.176 -8.307 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.343 1.433 -10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.476 0.270 -11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.890 3.364 -9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.182 3.208 -9.427 1.00 0.00 H new ATOM 504 N THR A 31 -9.910 -2.083 -8.264 1.00 0.00 N ATOM 505 CA THR A 31 -10.754 -3.275 -8.218 1.00 0.00 C ATOM 506 C THR A 31 -12.191 -2.879 -7.857 1.00 0.00 C ATOM 507 O THR A 31 -12.398 -1.962 -7.062 1.00 0.00 O ATOM 508 CB THR A 31 -10.217 -4.253 -7.165 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.812 -4.083 -7.043 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.516 -5.691 -7.586 1.00 0.00 C ATOM 0 H THR A 31 -9.582 -1.762 -7.353 1.00 0.00 H new ATOM 0 HA THR A 31 -10.744 -3.755 -9.197 1.00 0.00 H new ATOM 0 HB THR A 31 -10.701 -4.052 -6.209 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.352 -4.785 -7.549 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.131 -6.378 -6.833 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.593 -5.825 -7.683 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.037 -5.897 -8.543 1.00 0.00 H new ATOM 518 N PRO A 32 -13.207 -3.551 -8.427 1.00 0.00 N ATOM 519 CA PRO A 32 -14.618 -3.229 -8.132 1.00 0.00 C ATOM 520 C PRO A 32 -15.059 -3.759 -6.773 1.00 0.00 C ATOM 521 O PRO A 32 -15.777 -3.089 -6.031 1.00 0.00 O ATOM 522 CB PRO A 32 -15.374 -3.905 -9.268 1.00 0.00 C ATOM 523 CG PRO A 32 -14.482 -5.019 -9.789 1.00 0.00 C ATOM 524 CD PRO A 32 -13.045 -4.673 -9.390 1.00 0.00 C ATOM 0 HA PRO A 32 -14.798 -2.156 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.325 -4.304 -8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.602 -3.191 -10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.778 -5.979 -9.366 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.570 -5.107 -10.872 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.541 -5.524 -8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.450 -4.377 -10.254 1.00 0.00 H new ATOM 532 N ASN A 33 -14.601 -4.963 -6.445 1.00 0.00 N ATOM 533 CA ASN A 33 -14.934 -5.567 -5.161 1.00 0.00 C ATOM 534 C ASN A 33 -14.401 -4.699 -4.020 1.00 0.00 C ATOM 535 O ASN A 33 -14.973 -4.655 -2.931 1.00 0.00 O ATOM 536 CB ASN A 33 -14.326 -6.967 -5.053 1.00 0.00 C ATOM 537 CG ASN A 33 -15.287 -7.987 -5.654 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.393 -8.183 -5.148 1.00 0.00 O ATOM 539 ND2 ASN A 33 -14.928 -8.656 -6.716 1.00 0.00 N ATOM 0 H ASN A 33 -14.005 -5.534 -7.044 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.019 -5.642 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.370 -7.001 -5.575 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.128 -7.209 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.563 -9.341 -7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.012 -8.494 -7.135 1.00 0.00 H new ATOM 546 N CYS A 34 -13.297 -4.002 -4.295 1.00 0.00 N ATOM 547 CA CYS A 34 -12.682 -3.124 -3.305 1.00 0.00 C ATOM 548 C CYS A 34 -12.786 -1.674 -3.768 1.00 0.00 C ATOM 549 O CYS A 34 -13.459 -1.375 -4.755 1.00 0.00 O ATOM 550 CB CYS A 34 -11.206 -3.486 -3.123 1.00 0.00 C ATOM 551 SG CYS A 34 -11.061 -5.221 -2.633 1.00 0.00 S ATOM 0 H CYS A 34 -12.814 -4.030 -5.193 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.204 -3.247 -2.356 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.662 -3.313 -4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.755 -2.845 -2.365 1.00 0.00 H new ATOM 556 N ALA A 35 -12.114 -0.775 -3.055 1.00 0.00 N ATOM 557 CA ALA A 35 -12.144 0.637 -3.418 1.00 0.00 C ATOM 558 C ALA A 35 -10.856 1.028 -4.148 1.00 0.00 C ATOM 559 O ALA A 35 -10.821 1.078 -5.377 1.00 0.00 O ATOM 560 CB ALA A 35 -12.327 1.512 -2.173 1.00 0.00 C ATOM 0 H ALA A 35 -11.550 -0.995 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.991 0.799 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.347 2.562 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.265 1.255 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.499 1.343 -1.485 1.00 0.00 H new ATOM 566 N LEU A 36 -9.799 1.297 -3.381 1.00 0.00 N ATOM 567 CA LEU A 36 -8.513 1.678 -3.964 1.00 0.00 C ATOM 568 C LEU A 36 -7.375 1.036 -3.170 1.00 0.00 C ATOM 569 O LEU A 36 -6.981 1.530 -2.114 1.00 0.00 O ATOM 570 CB LEU A 36 -8.347 3.212 -3.936 1.00 0.00 C ATOM 571 CG LEU A 36 -8.359 3.787 -5.362 1.00 0.00 C ATOM 572 CD1 LEU A 36 -7.211 3.185 -6.184 1.00 0.00 C ATOM 573 CD2 LEU A 36 -9.697 3.473 -6.036 1.00 0.00 C ATOM 0 H LEU A 36 -9.807 1.259 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.483 1.332 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.151 3.659 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.411 3.472 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.227 4.868 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.229 3.599 -7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.259 3.425 -5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.328 2.103 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.701 3.883 -7.046 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.837 2.393 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.508 3.920 -5.461 1.00 0.00 H new ATOM 585 N GLN A 37 -6.851 -0.068 -3.693 1.00 0.00 N ATOM 586 CA GLN A 37 -5.755 -0.767 -3.026 1.00 0.00 C ATOM 587 C GLN A 37 -4.422 -0.321 -3.610 1.00 0.00 C ATOM 588 O GLN A 37 -4.054 -0.714 -4.717 1.00 0.00 O ATOM 589 CB GLN A 37 -5.889 -2.283 -3.203 1.00 0.00 C ATOM 590 CG GLN A 37 -7.208 -2.763 -2.593 1.00 0.00 C ATOM 591 CD GLN A 37 -8.350 -2.468 -3.559 1.00 0.00 C ATOM 592 OE1 GLN A 37 -9.178 -1.593 -3.304 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.441 -3.150 -4.665 1.00 0.00 N ATOM 0 H GLN A 37 -7.162 -0.495 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.797 -0.525 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.853 -2.539 -4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.051 -2.789 -2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.158 -3.832 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.384 -2.263 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.755 -3.875 -4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.199 -2.959 -5.321 1.00 0.00 H new ATOM 602 N ILE A 38 -3.703 0.511 -2.862 1.00 0.00 N ATOM 603 CA ILE A 38 -2.415 1.003 -3.336 1.00 0.00 C ATOM 604 C ILE A 38 -1.334 -0.053 -3.151 1.00 0.00 C ATOM 605 O ILE A 38 -1.016 -0.467 -2.033 1.00 0.00 O ATOM 606 CB ILE A 38 -1.992 2.276 -2.602 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.140 3.290 -2.629 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.766 2.873 -3.302 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.904 4.357 -1.559 1.00 0.00 C ATOM 0 H ILE A 38 -3.984 0.853 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.533 1.230 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.747 2.039 -1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.206 3.755 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.089 2.785 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.458 3.781 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.050 2.151 -3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.017 3.112 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.721 5.078 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.860 3.885 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.963 4.869 -1.757 1.00 0.00 H new ATOM 621 N VAL A 39 -0.751 -0.455 -4.270 1.00 0.00 N ATOM 622 CA VAL A 39 0.319 -1.439 -4.251 1.00 0.00 C ATOM 623 C VAL A 39 1.650 -0.715 -4.375 1.00 0.00 C ATOM 624 O VAL A 39 1.688 0.504 -4.548 1.00 0.00 O ATOM 625 CB VAL A 39 0.167 -2.445 -5.395 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.115 -3.254 -5.196 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.095 -1.701 -6.728 1.00 0.00 C ATOM 0 H VAL A 39 -1.000 -0.116 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 39 0.274 -1.992 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 39 1.026 -3.116 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.223 -3.970 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.065 -3.788 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.972 -2.581 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.013 -2.420 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.762 -1.027 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.009 -1.125 -6.873 1.00 0.00 H new ATOM 637 N ALA A 40 2.740 -1.459 -4.264 1.00 0.00 N ATOM 638 CA ALA A 40 4.055 -0.845 -4.345 1.00 0.00 C ATOM 639 C ALA A 40 5.131 -1.867 -4.650 1.00 0.00 C ATOM 640 O ALA A 40 4.864 -3.057 -4.788 1.00 0.00 O ATOM 641 CB ALA A 40 4.398 -0.188 -3.016 1.00 0.00 C ATOM 0 H ALA A 40 2.742 -2.469 -4.120 1.00 0.00 H new ATOM 0 HA ALA A 40 4.021 -0.110 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.384 0.271 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.656 0.577 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.399 -0.941 -2.228 1.00 0.00 H new ATOM 647 N ARG A 41 6.358 -1.370 -4.728 1.00 0.00 N ATOM 648 CA ARG A 41 7.515 -2.216 -4.988 1.00 0.00 C ATOM 649 C ARG A 41 8.705 -1.700 -4.182 1.00 0.00 C ATOM 650 O ARG A 41 9.263 -0.642 -4.483 1.00 0.00 O ATOM 651 CB ARG A 41 7.856 -2.212 -6.477 1.00 0.00 C ATOM 652 CG ARG A 41 8.996 -3.200 -6.755 1.00 0.00 C ATOM 653 CD ARG A 41 8.429 -4.485 -7.361 1.00 0.00 C ATOM 654 NE ARG A 41 9.504 -5.343 -7.852 1.00 0.00 N ATOM 655 CZ ARG A 41 9.262 -6.314 -8.728 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.511 -6.079 -9.770 1.00 0.00 N ATOM 657 NH2 ARG A 41 9.774 -7.500 -8.546 1.00 0.00 N ATOM 0 H ARG A 41 6.578 -0.381 -4.614 1.00 0.00 H new ATOM 0 HA ARG A 41 7.284 -3.239 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.977 -2.484 -7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.148 -1.209 -6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.719 -2.753 -7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.528 -3.426 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.844 -5.019 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.751 -4.239 -8.178 1.00 0.00 H new ATOM 0 HE ARG A 41 10.456 -5.195 -7.518 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.111 -5.152 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.325 -6.823 -10.443 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.360 -7.683 -7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.588 -8.244 -9.218 1.00 0.00 H new ATOM 671 N LEU A 42 9.064 -2.445 -3.132 1.00 0.00 N ATOM 672 CA LEU A 42 10.164 -2.047 -2.258 1.00 0.00 C ATOM 673 C LEU A 42 11.520 -2.394 -2.863 1.00 0.00 C ATOM 674 O LEU A 42 11.633 -3.240 -3.752 1.00 0.00 O ATOM 675 CB LEU A 42 10.054 -2.731 -0.888 1.00 0.00 C ATOM 676 CG LEU A 42 8.605 -2.720 -0.372 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.584 -3.245 1.066 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.042 -1.292 -0.392 1.00 0.00 C ATOM 0 H LEU A 42 8.611 -3.320 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 42 10.090 -0.966 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.408 -3.759 -0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.701 -2.223 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 42 7.993 -3.352 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.560 -3.241 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.974 -4.263 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.203 -2.606 1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.016 -1.300 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.651 -0.652 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.059 -0.909 -1.412 1.00 0.00 H new ATOM 690 N LYS A 43 12.544 -1.711 -2.352 1.00 0.00 N ATOM 691 CA LYS A 43 13.915 -1.907 -2.813 1.00 0.00 C ATOM 692 C LYS A 43 14.691 -2.803 -1.851 1.00 0.00 C ATOM 693 O LYS A 43 15.483 -3.647 -2.270 1.00 0.00 O ATOM 694 CB LYS A 43 14.627 -0.551 -2.907 1.00 0.00 C ATOM 695 CG LYS A 43 14.480 0.023 -4.323 1.00 0.00 C ATOM 696 CD LYS A 43 15.847 0.465 -4.852 1.00 0.00 C ATOM 697 CE LYS A 43 16.700 -0.768 -5.157 1.00 0.00 C ATOM 698 NZ LYS A 43 18.142 -0.392 -5.135 1.00 0.00 N ATOM 0 H LYS A 43 12.447 -1.013 -1.614 1.00 0.00 H new ATOM 0 HA LYS A 43 13.878 -2.384 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.205 0.142 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.682 -0.667 -2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.049 -0.728 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.794 0.870 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.723 1.066 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.348 1.094 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.506 -1.549 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.434 -1.175 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.722 -1.230 -5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.321 0.339 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.390 -0.023 -4.195 1.00 0.00 H new ATOM 712 N ASN A 44 14.465 -2.596 -0.555 1.00 0.00 N ATOM 713 CA ASN A 44 15.154 -3.375 0.478 1.00 0.00 C ATOM 714 C ASN A 44 15.052 -4.876 0.209 1.00 0.00 C ATOM 715 O ASN A 44 15.980 -5.636 0.487 1.00 0.00 O ATOM 716 CB ASN A 44 14.556 -3.078 1.855 1.00 0.00 C ATOM 717 CG ASN A 44 13.053 -3.331 1.824 1.00 0.00 C ATOM 718 OD1 ASN A 44 12.286 -2.491 1.355 1.00 0.00 O ATOM 719 ND2 ASN A 44 12.582 -4.450 2.304 1.00 0.00 N ATOM 0 H ASN A 44 13.814 -1.899 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 44 16.204 -3.084 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.026 -3.708 2.610 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.755 -2.043 2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.578 -4.628 2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.218 -5.146 2.693 1.00 0.00 H new ATOM 726 N ASN A 45 13.914 -5.291 -0.336 1.00 0.00 N ATOM 727 CA ASN A 45 13.700 -6.705 -0.640 1.00 0.00 C ATOM 728 C ASN A 45 13.605 -6.938 -2.148 1.00 0.00 C ATOM 729 O ASN A 45 13.862 -8.039 -2.635 1.00 0.00 O ATOM 730 CB ASN A 45 12.419 -7.211 0.037 1.00 0.00 C ATOM 731 CG ASN A 45 11.195 -6.454 -0.484 1.00 0.00 C ATOM 732 OD1 ASN A 45 10.980 -6.356 -1.690 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.367 -5.917 0.367 1.00 0.00 N ATOM 0 H ASN A 45 13.133 -4.679 -0.575 1.00 0.00 H new ATOM 0 HA ASN A 45 14.556 -7.259 -0.255 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.300 -8.278 -0.151 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.498 -7.085 1.117 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.544 -5.417 0.031 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.542 -5.996 1.369 1.00 0.00 H new ATOM 740 N ASN A 46 13.216 -5.895 -2.881 1.00 0.00 N ATOM 741 CA ASN A 46 13.068 -5.993 -4.335 1.00 0.00 C ATOM 742 C ASN A 46 11.861 -6.863 -4.669 1.00 0.00 C ATOM 743 O ASN A 46 11.983 -7.933 -5.268 1.00 0.00 O ATOM 744 CB ASN A 46 14.328 -6.586 -4.986 1.00 0.00 C ATOM 745 CG ASN A 46 14.416 -6.123 -6.436 1.00 0.00 C ATOM 746 OD1 ASN A 46 13.422 -6.141 -7.162 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.560 -5.707 -6.907 1.00 0.00 N ATOM 0 H ASN A 46 12.998 -4.976 -2.495 1.00 0.00 H new ATOM 0 HA ASN A 46 12.922 -4.988 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.216 -6.271 -4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.295 -7.675 -4.942 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.630 -5.397 -7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.384 -5.692 -6.306 1.00 0.00 H new ATOM 754 N ARG A 47 10.687 -6.385 -4.267 1.00 0.00 N ATOM 755 CA ARG A 47 9.446 -7.119 -4.516 1.00 0.00 C ATOM 756 C ARG A 47 8.250 -6.177 -4.430 1.00 0.00 C ATOM 757 O ARG A 47 8.381 -5.029 -4.011 1.00 0.00 O ATOM 758 CB ARG A 47 9.269 -8.246 -3.497 1.00 0.00 C ATOM 759 CG ARG A 47 10.093 -9.459 -3.929 1.00 0.00 C ATOM 760 CD ARG A 47 9.382 -10.741 -3.491 1.00 0.00 C ATOM 761 NE ARG A 47 8.222 -11.002 -4.338 1.00 0.00 N ATOM 762 CZ ARG A 47 8.204 -12.033 -5.178 1.00 0.00 C ATOM 763 NH1 ARG A 47 9.219 -12.245 -5.972 1.00 0.00 N ATOM 764 NH2 ARG A 47 7.173 -12.833 -5.209 1.00 0.00 N ATOM 0 H ARG A 47 10.567 -5.501 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 47 9.504 -7.548 -5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.586 -7.911 -2.510 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.216 -8.518 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.225 -9.455 -5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.088 -9.413 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.073 -11.582 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.067 -10.651 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 47 7.412 -10.384 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.025 -11.620 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.206 -13.035 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.380 -12.668 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.160 -13.623 -5.854 1.00 0.00 H new ATOM 778 N GLN A 48 7.085 -6.674 -4.839 1.00 0.00 N ATOM 779 CA GLN A 48 5.870 -5.864 -4.815 1.00 0.00 C ATOM 780 C GLN A 48 5.076 -6.103 -3.531 1.00 0.00 C ATOM 781 O GLN A 48 4.907 -7.241 -3.095 1.00 0.00 O ATOM 782 CB GLN A 48 4.985 -6.201 -6.019 1.00 0.00 C ATOM 783 CG GLN A 48 3.814 -5.220 -6.093 1.00 0.00 C ATOM 784 CD GLN A 48 2.701 -5.820 -6.945 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.962 -6.414 -7.991 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.461 -5.700 -6.555 1.00 0.00 N ATOM 0 H GLN A 48 6.957 -7.624 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 48 6.168 -4.817 -4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.571 -6.152 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.611 -7.221 -5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.443 -5.004 -5.091 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.145 -4.274 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.244 -5.208 -5.688 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.709 -6.098 -7.117 1.00 0.00 H new ATOM 795 N VAL A 49 4.581 -5.015 -2.932 1.00 0.00 N ATOM 796 CA VAL A 49 3.796 -5.134 -1.696 1.00 0.00 C ATOM 797 C VAL A 49 2.611 -4.177 -1.711 1.00 0.00 C ATOM 798 O VAL A 49 2.421 -3.414 -2.651 1.00 0.00 O ATOM 799 CB VAL A 49 4.648 -4.816 -0.461 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.587 -5.983 -0.166 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.469 -3.546 -0.706 1.00 0.00 C ATOM 0 H VAL A 49 4.705 -4.061 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 49 3.445 -6.165 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 49 3.989 -4.658 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.190 -5.752 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.001 -6.883 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.241 -6.149 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.071 -3.327 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.123 -3.696 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.797 -2.711 -0.903 1.00 0.00 H new ATOM 811 N CYS A 50 1.828 -4.217 -0.637 1.00 0.00 N ATOM 812 CA CYS A 50 0.673 -3.335 -0.509 1.00 0.00 C ATOM 813 C CYS A 50 0.928 -2.364 0.636 1.00 0.00 C ATOM 814 O CYS A 50 1.014 -2.769 1.796 1.00 0.00 O ATOM 815 CB CYS A 50 -0.598 -4.138 -0.216 1.00 0.00 C ATOM 816 SG CYS A 50 -0.879 -5.338 -1.545 1.00 0.00 S ATOM 0 H CYS A 50 1.971 -4.847 0.153 1.00 0.00 H new ATOM 0 HA CYS A 50 0.531 -2.797 -1.446 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.502 -4.654 0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.453 -3.467 -0.131 1.00 0.00 H new ATOM 821 N ILE A 51 1.073 -1.082 0.309 1.00 0.00 N ATOM 822 CA ILE A 51 1.346 -0.088 1.346 1.00 0.00 C ATOM 823 C ILE A 51 0.070 0.299 2.072 1.00 0.00 C ATOM 824 O ILE A 51 -1.024 0.262 1.509 1.00 0.00 O ATOM 825 CB ILE A 51 1.988 1.176 0.771 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.120 0.804 -0.185 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.566 2.000 1.922 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.664 2.069 -0.846 1.00 0.00 C ATOM 0 H ILE A 51 1.008 -0.713 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 51 2.045 -0.549 2.044 1.00 0.00 H new ATOM 0 HB ILE A 51 1.235 1.748 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.916 0.293 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.757 0.112 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.027 2.905 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.767 2.272 2.612 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.316 1.411 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.472 1.804 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.866 2.561 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.043 2.746 -0.080 1.00 0.00 H new ATOM 840 N ASP A 52 0.228 0.665 3.339 1.00 0.00 N ATOM 841 CA ASP A 52 -0.911 1.053 4.157 1.00 0.00 C ATOM 842 C ASP A 52 -1.323 2.495 3.838 1.00 0.00 C ATOM 843 O ASP A 52 -0.465 3.348 3.605 1.00 0.00 O ATOM 844 CB ASP A 52 -0.554 0.948 5.644 1.00 0.00 C ATOM 845 CG ASP A 52 -1.764 0.451 6.429 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.057 -0.730 6.341 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.379 1.259 7.106 1.00 0.00 O ATOM 0 H ASP A 52 1.128 0.701 3.818 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.740 0.381 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.285 0.265 5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.238 1.920 6.022 1.00 0.00 H new ATOM 852 N PRO A 53 -2.632 2.796 3.824 1.00 0.00 N ATOM 853 CA PRO A 53 -3.119 4.159 3.529 1.00 0.00 C ATOM 854 C PRO A 53 -2.955 5.113 4.713 1.00 0.00 C ATOM 855 O PRO A 53 -3.019 6.332 4.555 1.00 0.00 O ATOM 856 CB PRO A 53 -4.590 3.937 3.209 1.00 0.00 C ATOM 857 CG PRO A 53 -4.999 2.640 3.887 1.00 0.00 C ATOM 858 CD PRO A 53 -3.722 1.825 4.107 1.00 0.00 C ATOM 0 HA PRO A 53 -2.559 4.630 2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.194 4.769 3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.746 3.875 2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.496 2.841 4.836 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.706 2.088 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.662 1.441 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.676 0.965 3.439 1.00 0.00 H new ATOM 866 N LYS A 54 -2.738 4.548 5.900 1.00 0.00 N ATOM 867 CA LYS A 54 -2.563 5.364 7.094 1.00 0.00 C ATOM 868 C LYS A 54 -1.079 5.555 7.426 1.00 0.00 C ATOM 869 O LYS A 54 -0.738 6.009 8.517 1.00 0.00 O ATOM 870 CB LYS A 54 -3.257 4.711 8.291 1.00 0.00 C ATOM 871 CG LYS A 54 -4.775 4.817 8.120 1.00 0.00 C ATOM 872 CD LYS A 54 -5.447 4.773 9.493 1.00 0.00 C ATOM 873 CE LYS A 54 -5.565 6.193 10.049 1.00 0.00 C ATOM 874 NZ LYS A 54 -5.478 6.154 11.536 1.00 0.00 N ATOM 0 H LYS A 54 -2.680 3.542 6.057 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.009 6.338 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.961 3.665 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.949 5.200 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.030 5.745 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.140 3.999 7.498 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.435 4.320 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.866 4.151 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.771 6.820 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.511 6.638 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.558 7.120 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.251 5.569 11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.564 5.746 11.820 1.00 0.00 H new ATOM 888 N LEU A 55 -0.194 5.217 6.481 1.00 0.00 N ATOM 889 CA LEU A 55 1.240 5.376 6.718 1.00 0.00 C ATOM 890 C LEU A 55 1.572 6.847 6.936 1.00 0.00 C ATOM 891 O LEU A 55 0.807 7.736 6.565 1.00 0.00 O ATOM 892 CB LEU A 55 2.049 4.825 5.540 1.00 0.00 C ATOM 893 CG LEU A 55 2.600 3.437 5.894 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.340 2.847 4.689 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.560 3.548 7.085 1.00 0.00 C ATOM 0 H LEU A 55 -0.440 4.840 5.566 1.00 0.00 H new ATOM 0 HA LEU A 55 1.506 4.812 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.420 4.761 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.869 5.502 5.301 1.00 0.00 H new ATOM 0 HG LEU A 55 1.770 2.782 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.728 1.862 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.652 2.757 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.166 3.502 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.948 2.560 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.387 4.209 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.027 3.954 7.945 1.00 0.00 H new ATOM 907 N LYS A 56 2.711 7.090 7.575 1.00 0.00 N ATOM 908 CA LYS A 56 3.125 8.451 7.875 1.00 0.00 C ATOM 909 C LYS A 56 3.594 9.189 6.631 1.00 0.00 C ATOM 910 O LYS A 56 3.333 10.381 6.474 1.00 0.00 O ATOM 911 CB LYS A 56 4.246 8.458 8.916 1.00 0.00 C ATOM 912 CG LYS A 56 3.665 8.139 10.295 1.00 0.00 C ATOM 913 CD LYS A 56 4.805 7.953 11.298 1.00 0.00 C ATOM 914 CE LYS A 56 4.358 8.445 12.676 1.00 0.00 C ATOM 915 NZ LYS A 56 4.734 9.878 12.839 1.00 0.00 N ATOM 0 H LYS A 56 3.358 6.368 7.892 1.00 0.00 H new ATOM 0 HA LYS A 56 2.251 8.967 8.273 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.007 7.723 8.652 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.735 9.432 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.008 8.946 10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.059 7.235 10.246 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.090 6.902 11.350 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.685 8.506 10.971 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.280 8.326 12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.824 7.845 13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.430 10.212 13.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.766 9.978 12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.269 10.445 12.102 1.00 0.00 H new ATOM 929 N TRP A 57 4.293 8.486 5.750 1.00 0.00 N ATOM 930 CA TRP A 57 4.776 9.130 4.536 1.00 0.00 C ATOM 931 C TRP A 57 3.712 9.095 3.449 1.00 0.00 C ATOM 932 O TRP A 57 3.660 9.979 2.591 1.00 0.00 O ATOM 933 CB TRP A 57 6.081 8.500 4.037 1.00 0.00 C ATOM 934 CG TRP A 57 5.886 7.076 3.614 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.905 5.996 4.434 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.668 6.564 2.272 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.738 4.856 3.667 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.582 5.156 2.332 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.542 7.182 1.018 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.384 4.386 1.189 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.335 6.412 -0.138 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.258 5.015 -0.051 1.00 0.00 C ATOM 0 H TRP A 57 4.533 7.499 5.847 1.00 0.00 H new ATOM 0 HA TRP A 57 4.989 10.170 4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.466 9.079 3.198 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.831 8.545 4.826 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.030 6.021 5.506 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.731 3.909 4.045 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.605 8.257 0.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.328 3.310 1.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.235 6.898 -1.097 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.101 4.426 -0.942 1.00 0.00 H new ATOM 953 N ILE A 58 2.851 8.081 3.493 1.00 0.00 N ATOM 954 CA ILE A 58 1.798 7.987 2.503 1.00 0.00 C ATOM 955 C ILE A 58 0.643 8.922 2.867 1.00 0.00 C ATOM 956 O ILE A 58 -0.164 9.259 2.005 1.00 0.00 O ATOM 957 CB ILE A 58 1.321 6.530 2.320 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.441 5.775 1.553 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.025 6.483 1.549 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.889 4.660 0.649 1.00 0.00 C ATOM 0 H ILE A 58 2.864 7.334 4.187 1.00 0.00 H new ATOM 0 HA ILE A 58 2.201 8.307 1.542 1.00 0.00 H new ATOM 0 HB ILE A 58 1.141 6.057 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.003 6.485 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.140 5.344 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.341 5.446 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.783 7.033 2.107 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.103 6.936 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.714 4.165 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.350 3.933 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.211 5.091 -0.088 1.00 0.00 H new ATOM 972 N GLN A 59 0.561 9.354 4.130 1.00 0.00 N ATOM 973 CA GLN A 59 -0.514 10.258 4.501 1.00 0.00 C ATOM 974 C GLN A 59 -0.301 11.611 3.823 1.00 0.00 C ATOM 975 O GLN A 59 -1.258 12.311 3.497 1.00 0.00 O ATOM 976 CB GLN A 59 -0.619 10.437 6.021 1.00 0.00 C ATOM 977 CG GLN A 59 0.691 10.994 6.589 1.00 0.00 C ATOM 978 CD GLN A 59 0.398 12.172 7.515 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.610 12.178 8.221 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.229 13.177 7.555 1.00 0.00 N ATOM 0 H GLN A 59 1.203 9.101 4.881 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.453 9.819 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.441 11.113 6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.848 9.480 6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.221 10.214 7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.343 11.313 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.064 13.172 6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.043 13.968 8.172 1.00 0.00 H new ATOM 989 N GLU A 60 0.967 11.957 3.581 1.00 0.00 N ATOM 990 CA GLU A 60 1.283 13.210 2.906 1.00 0.00 C ATOM 991 C GLU A 60 1.115 13.027 1.402 1.00 0.00 C ATOM 992 O GLU A 60 0.669 13.928 0.691 1.00 0.00 O ATOM 993 CB GLU A 60 2.720 13.640 3.205 1.00 0.00 C ATOM 994 CG GLU A 60 2.737 14.553 4.432 1.00 0.00 C ATOM 995 CD GLU A 60 4.129 14.548 5.052 1.00 0.00 C ATOM 996 OE1 GLU A 60 4.734 13.489 5.095 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.573 15.603 5.474 1.00 0.00 O ATOM 0 H GLU A 60 1.777 11.394 3.840 1.00 0.00 H new ATOM 0 HA GLU A 60 0.605 13.983 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.343 12.764 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.141 14.161 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.458 15.567 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.002 14.213 5.161 1.00 0.00 H new ATOM 1004 N TYR A 61 1.469 11.831 0.933 1.00 0.00 N ATOM 1005 CA TYR A 61 1.352 11.500 -0.484 1.00 0.00 C ATOM 1006 C TYR A 61 -0.126 11.442 -0.873 1.00 0.00 C ATOM 1007 O TYR A 61 -0.554 12.059 -1.848 1.00 0.00 O ATOM 1008 CB TYR A 61 2.054 10.142 -0.750 1.00 0.00 C ATOM 1009 CG TYR A 61 1.522 9.447 -1.991 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.445 10.129 -3.210 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.100 8.118 -1.903 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.947 9.476 -4.344 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.601 7.465 -3.032 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.524 8.142 -4.256 1.00 0.00 C ATOM 1015 OH TYR A 61 0.032 7.498 -5.372 1.00 0.00 O ATOM 0 H TYR A 61 1.838 11.078 1.513 1.00 0.00 H new ATOM 0 HA TYR A 61 1.836 12.265 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.126 10.306 -0.860 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.918 9.491 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.769 11.157 -3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.160 7.595 -0.960 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.889 10.000 -5.287 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.274 6.438 -2.962 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.215 6.579 -5.137 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.893 10.689 -0.098 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.317 10.550 -0.364 1.00 0.00 C ATOM 1027 C LEU A 62 -3.015 11.901 -0.233 1.00 0.00 C ATOM 1028 O LEU A 62 -4.029 12.157 -0.881 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.937 9.557 0.622 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.949 8.667 -0.104 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.204 7.662 -0.985 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -4.795 7.914 0.925 1.00 0.00 C ATOM 0 H LEU A 62 -0.557 10.169 0.713 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.446 10.180 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.157 8.943 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.428 10.095 1.433 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.597 9.285 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.924 7.028 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.600 8.198 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.556 7.043 -0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.516 7.280 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.147 7.296 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.325 8.629 1.554 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.453 12.762 0.613 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.027 14.090 0.823 1.00 0.00 C ATOM 1046 C GLU A 63 -2.925 14.919 -0.455 1.00 0.00 C ATOM 1047 O GLU A 63 -3.844 15.660 -0.806 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.297 14.821 1.952 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.033 16.121 2.284 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.206 16.937 3.270 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.827 16.389 4.292 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -1.962 18.099 2.989 1.00 0.00 O ATOM 0 H GLU A 63 -1.612 12.568 1.158 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.075 13.964 1.095 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.245 14.185 2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.271 15.038 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.205 16.696 1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.011 15.899 2.710 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.797 14.784 -1.147 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.583 15.525 -2.388 1.00 0.00 C ATOM 1061 C LYS A 64 -2.194 14.775 -3.568 1.00 0.00 C ATOM 1062 O LYS A 64 -2.642 15.380 -4.540 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.088 15.739 -2.643 1.00 0.00 C ATOM 1064 CG LYS A 64 0.638 14.391 -2.666 1.00 0.00 C ATOM 1065 CD LYS A 64 2.057 14.585 -3.203 1.00 0.00 C ATOM 1066 CE LYS A 64 2.012 14.738 -4.724 1.00 0.00 C ATOM 1067 NZ LYS A 64 3.265 14.189 -5.316 1.00 0.00 N ATOM 0 H LYS A 64 -1.025 14.176 -0.874 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.068 16.496 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.057 16.256 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.334 16.376 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.672 13.967 -1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.094 13.684 -3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.510 15.468 -2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.680 13.733 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.146 14.213 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.901 15.789 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.235 14.293 -6.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.083 14.709 -4.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.352 13.182 -5.072 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.212 13.447 -3.470 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.775 12.623 -4.535 1.00 0.00 C ATOM 1083 C ALA A 65 -4.156 12.108 -4.139 1.00 0.00 C ATOM 1084 O ALA A 65 -4.586 11.041 -4.577 1.00 0.00 O ATOM 1085 CB ALA A 65 -1.865 11.429 -4.826 1.00 0.00 C ATOM 0 H ALA A 65 -1.848 12.924 -2.673 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.860 13.242 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.300 10.825 -5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.883 11.787 -5.137 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.762 10.822 -3.926 1.00 0.00 H new ATOM 1091 N LEU A 66 -4.850 12.880 -3.303 1.00 0.00 N ATOM 1092 CA LEU A 66 -6.185 12.491 -2.855 1.00 0.00 C ATOM 1093 C LEU A 66 -7.185 12.602 -4.002 1.00 0.00 C ATOM 1094 O LEU A 66 -7.927 11.663 -4.291 1.00 0.00 O ATOM 1095 CB LEU A 66 -6.646 13.387 -1.703 1.00 0.00 C ATOM 1096 CG LEU A 66 -7.875 12.768 -1.036 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -7.867 13.100 0.457 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -9.144 13.337 -1.677 1.00 0.00 C ATOM 0 H LEU A 66 -4.515 13.767 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.137 11.457 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.843 13.503 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.884 14.383 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.853 11.686 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.743 12.659 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.964 12.696 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.889 14.182 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.021 12.896 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.165 14.419 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.151 13.102 -2.741 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.195 13.762 -4.651 1.00 0.00 N ATOM 1111 CA ASN A 67 -8.108 13.992 -5.768 1.00 0.00 C ATOM 1112 C ASN A 67 -7.485 13.505 -7.072 1.00 0.00 C ATOM 1113 O ASN A 67 -6.351 13.870 -7.336 1.00 0.00 O ATOM 1114 CB ASN A 67 -8.435 15.480 -5.897 1.00 0.00 C ATOM 1115 CG ASN A 67 -9.364 15.897 -4.761 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -8.973 15.886 -3.594 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -10.585 16.269 -5.037 1.00 0.00 N ATOM 1118 OXT ASN A 67 -8.152 12.776 -7.788 1.00 0.00 O ATOM 0 H ASN A 67 -6.588 14.551 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.025 13.436 -5.572 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.518 16.069 -5.866 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.908 15.677 -6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.215 16.550 -4.285 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -10.909 16.278 -6.004 1.00 0.00 H new TER 1125 ASN A 67