USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -130:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -2.07! C(o=-2.1!,f=-7!) USER MOD Set 2.1: A 16 SER OG : rot -49:sc= 1.22 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -167:sc= 2.34 (180deg=1.07) USER MOD Single : A 1 LYS N :NH3+ -171:sc=-0.00204 (180deg=-0.0965) USER MOD Single : A 1 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0608) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= 1.04 K(o=1,f=-5!) USER MOD Single : A 22 ASN : amide:sc= -0.345 X(o=-0.34,f=-0.41) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.036 (180deg=-0.328) USER MOD Single : A 30 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.019) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.697 F(o=-1.6,f=-0.7) USER MOD Single : A 46 ASN : amide:sc= -0.304 K(o=-0.3,f=-0.99) USER MOD Single : A 48 GLN : amide:sc=-0.00282 K(o=-0.0028,f=-0.92) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.15) 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 K(o=0,f=-0.53) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0426 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -5.228 -23.358 3.790 1.00 0.03 N ATOM 2 CA LYS A 1 -3.937 -23.843 3.307 1.00 32.50 C ATOM 3 C LYS A 1 -3.553 -23.041 2.079 1.00 62.13 C ATOM 4 O LYS A 1 -4.368 -22.885 1.185 1.00 12.13 O ATOM 5 CB LYS A 1 -4.022 -25.340 2.934 1.00 43.44 C ATOM 6 CG LYS A 1 -4.405 -26.268 4.087 1.00 44.44 C ATOM 7 CD LYS A 1 -4.507 -27.729 3.638 1.00 52.32 C ATOM 8 CE LYS A 1 -3.156 -28.319 3.221 1.00 22.54 C ATOM 9 NZ LYS A 1 -2.202 -28.413 4.349 1.00 45.42 N ATOM 0 H1 LYS A 1 -5.437 -23.787 4.714 1.00 0.03 H new ATOM 0 H2 LYS A 1 -5.195 -22.323 3.889 1.00 0.03 H new ATOM 0 H3 LYS A 1 -5.972 -23.618 3.112 1.00 0.03 H new ATOM 0 HA LYS A 1 -3.190 -23.725 4.092 1.00 32.50 H new ATOM 0 HB2 LYS A 1 -4.751 -25.459 2.133 1.00 43.44 H new ATOM 0 HB3 LYS A 1 -3.057 -25.656 2.537 1.00 43.44 H new ATOM 0 HG2 LYS A 1 -3.664 -26.184 4.882 1.00 44.44 H new ATOM 0 HG3 LYS A 1 -5.360 -25.950 4.507 1.00 44.44 H new ATOM 0 HD2 LYS A 1 -4.923 -28.325 4.450 1.00 52.32 H new ATOM 0 HD3 LYS A 1 -5.202 -27.799 2.802 1.00 52.32 H new ATOM 0 HE2 LYS A 1 -3.312 -29.312 2.799 1.00 22.54 H new ATOM 0 HE3 LYS A 1 -2.722 -27.702 2.434 1.00 22.54 H new ATOM 0 HZ1 LYS A 1 -1.358 -28.940 4.047 1.00 45.42 H new ATOM 0 HZ2 LYS A 1 -1.924 -27.457 4.649 1.00 45.42 H new ATOM 0 HZ3 LYS A 1 -2.653 -28.909 5.145 1.00 45.42 H new ATOM 23 N PRO A 2 -2.311 -22.516 2.002 1.00 62.11 N ATOM 24 CA PRO A 2 -1.851 -21.721 0.848 1.00 4.13 C ATOM 25 C PRO A 2 -1.485 -22.594 -0.363 1.00 15.40 C ATOM 26 O PRO A 2 -0.797 -22.146 -1.289 1.00 62.32 O ATOM 27 CB PRO A 2 -0.589 -21.001 1.378 1.00 3.31 C ATOM 28 CG PRO A 2 -0.508 -21.333 2.836 1.00 21.23 C ATOM 29 CD PRO A 2 -1.256 -22.618 3.016 1.00 1.52 C ATOM 0 HA PRO A 2 -2.631 -21.047 0.494 1.00 4.13 H new ATOM 0 HB2 PRO A 2 0.303 -21.338 0.851 1.00 3.31 H new ATOM 0 HB3 PRO A 2 -0.661 -19.924 1.226 1.00 3.31 H new ATOM 0 HG2 PRO A 2 0.529 -21.439 3.154 1.00 21.23 H new ATOM 0 HG3 PRO A 2 -0.947 -20.539 3.441 1.00 21.23 H new ATOM 0 HD2 PRO A 2 -0.617 -23.486 2.851 1.00 1.52 H new ATOM 0 HD3 PRO A 2 -1.667 -22.711 4.021 1.00 1.52 H new ATOM 37 N VAL A 3 -1.948 -23.824 -0.353 1.00 52.43 N ATOM 38 CA VAL A 3 -1.679 -24.758 -1.419 1.00 64.42 C ATOM 39 C VAL A 3 -2.670 -24.533 -2.550 1.00 61.24 C ATOM 40 O VAL A 3 -3.875 -24.775 -2.386 1.00 41.21 O ATOM 41 CB VAL A 3 -1.768 -26.233 -0.928 1.00 45.54 C ATOM 42 CG1 VAL A 3 -1.449 -27.210 -2.062 1.00 2.22 C ATOM 43 CG2 VAL A 3 -0.833 -26.465 0.253 1.00 51.44 C ATOM 0 H VAL A 3 -2.524 -24.204 0.398 1.00 52.43 H new ATOM 0 HA VAL A 3 -0.662 -24.586 -1.772 1.00 64.42 H new ATOM 0 HB VAL A 3 -2.791 -26.415 -0.600 1.00 45.54 H new ATOM 0 HG11 VAL A 3 -1.518 -28.233 -1.691 1.00 2.22 H new ATOM 0 HG12 VAL A 3 -2.162 -27.069 -2.875 1.00 2.22 H new ATOM 0 HG13 VAL A 3 -0.439 -27.025 -2.429 1.00 2.22 H new ATOM 0 HG21 VAL A 3 -0.911 -27.502 0.580 1.00 51.44 H new ATOM 0 HG22 VAL A 3 0.193 -26.256 -0.049 1.00 51.44 H new ATOM 0 HG23 VAL A 3 -1.112 -25.804 1.073 1.00 51.44 H new ATOM 53 N SER A 4 -2.159 -24.023 -3.662 1.00 21.15 N ATOM 54 CA SER A 4 -2.933 -23.763 -4.863 1.00 25.21 C ATOM 55 C SER A 4 -4.100 -22.793 -4.612 1.00 64.43 C ATOM 56 O SER A 4 -5.249 -23.207 -4.406 1.00 21.21 O ATOM 57 CB SER A 4 -3.423 -25.074 -5.497 1.00 40.51 C ATOM 58 OG SER A 4 -2.322 -25.935 -5.790 1.00 43.20 O ATOM 0 H SER A 4 -1.174 -23.774 -3.754 1.00 21.15 H new ATOM 0 HA SER A 4 -2.266 -23.271 -5.571 1.00 25.21 H new ATOM 0 HB2 SER A 4 -4.113 -25.576 -4.819 1.00 40.51 H new ATOM 0 HB3 SER A 4 -3.975 -24.857 -6.411 1.00 40.51 H new ATOM 0 HG SER A 4 -2.654 -26.765 -6.191 1.00 43.20 H new ATOM 64 N LEU A 5 -3.797 -21.517 -4.575 1.00 21.04 N ATOM 65 CA LEU A 5 -4.814 -20.520 -4.376 1.00 73.02 C ATOM 66 C LEU A 5 -5.057 -19.772 -5.655 1.00 13.21 C ATOM 67 O LEU A 5 -4.160 -19.110 -6.188 1.00 1.20 O ATOM 68 CB LEU A 5 -4.448 -19.541 -3.252 1.00 60.33 C ATOM 69 CG LEU A 5 -4.272 -20.134 -1.847 1.00 44.30 C ATOM 70 CD1 LEU A 5 -3.953 -19.033 -0.847 1.00 0.32 C ATOM 71 CD2 LEU A 5 -5.518 -20.892 -1.418 1.00 21.05 C ATOM 0 H LEU A 5 -2.852 -21.147 -4.681 1.00 21.04 H new ATOM 0 HA LEU A 5 -5.726 -21.035 -4.076 1.00 73.02 H new ATOM 0 HB2 LEU A 5 -3.520 -19.039 -3.527 1.00 60.33 H new ATOM 0 HB3 LEU A 5 -5.222 -18.775 -3.203 1.00 60.33 H new ATOM 0 HG LEU A 5 -3.439 -20.837 -1.875 1.00 44.30 H new ATOM 0 HD11 LEU A 5 -3.831 -19.467 0.145 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -3.031 -18.531 -1.140 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -4.769 -18.310 -0.829 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -5.368 -21.303 -0.419 1.00 21.05 H new ATOM 0 HD22 LEU A 5 -6.371 -20.213 -1.407 1.00 21.05 H new ATOM 0 HD23 LEU A 5 -5.709 -21.704 -2.119 1.00 21.05 H new ATOM 83 N SER A 6 -6.243 -19.882 -6.158 1.00 44.01 N ATOM 84 CA SER A 6 -6.608 -19.204 -7.352 1.00 4.55 C ATOM 85 C SER A 6 -7.208 -17.857 -6.989 1.00 34.14 C ATOM 86 O SER A 6 -8.409 -17.733 -6.746 1.00 51.03 O ATOM 87 CB SER A 6 -7.572 -20.064 -8.163 1.00 32.24 C ATOM 88 OG SER A 6 -6.987 -21.346 -8.417 1.00 63.21 O ATOM 0 H SER A 6 -6.987 -20.447 -5.749 1.00 44.01 H new ATOM 0 HA SER A 6 -5.731 -19.029 -7.975 1.00 4.55 H new ATOM 0 HB2 SER A 6 -8.510 -20.184 -7.621 1.00 32.24 H new ATOM 0 HB3 SER A 6 -7.809 -19.570 -9.105 1.00 32.24 H new ATOM 0 HG SER A 6 -7.612 -21.894 -8.937 1.00 63.21 H new ATOM 94 N TYR A 7 -6.357 -16.874 -6.879 1.00 64.23 N ATOM 95 CA TYR A 7 -6.770 -15.564 -6.467 1.00 52.43 C ATOM 96 C TYR A 7 -7.140 -14.669 -7.629 1.00 35.44 C ATOM 97 O TYR A 7 -6.407 -14.571 -8.618 1.00 22.25 O ATOM 98 CB TYR A 7 -5.732 -14.909 -5.538 1.00 43.44 C ATOM 99 CG TYR A 7 -4.319 -14.875 -6.078 1.00 23.44 C ATOM 100 CD1 TYR A 7 -3.887 -13.850 -6.903 1.00 14.02 C ATOM 101 CD2 TYR A 7 -3.420 -15.868 -5.750 1.00 22.33 C ATOM 102 CE1 TYR A 7 -2.603 -13.820 -7.383 1.00 24.00 C ATOM 103 CE2 TYR A 7 -2.135 -15.848 -6.227 1.00 54.23 C ATOM 104 CZ TYR A 7 -1.726 -14.821 -7.042 1.00 4.33 C ATOM 105 OH TYR A 7 -0.430 -14.796 -7.526 1.00 71.24 O ATOM 0 H TYR A 7 -5.359 -16.960 -7.073 1.00 64.23 H new ATOM 0 HA TYR A 7 -7.686 -15.696 -5.890 1.00 52.43 H new ATOM 0 HB2 TYR A 7 -6.049 -13.887 -5.328 1.00 43.44 H new ATOM 0 HB3 TYR A 7 -5.729 -15.444 -4.588 1.00 43.44 H new ATOM 0 HD1 TYR A 7 -4.573 -13.061 -7.173 1.00 14.02 H new ATOM 0 HD2 TYR A 7 -3.734 -16.676 -5.106 1.00 22.33 H new ATOM 0 HE1 TYR A 7 -2.283 -13.014 -8.026 1.00 24.00 H new ATOM 0 HE2 TYR A 7 -1.447 -16.637 -5.963 1.00 54.23 H new ATOM 0 HH TYR A 7 0.060 -15.575 -7.190 1.00 71.24 H new ATOM 115 N ARG A 8 -8.303 -14.045 -7.527 1.00 23.13 N ATOM 116 CA ARG A 8 -8.728 -13.085 -8.528 1.00 4.32 C ATOM 117 C ARG A 8 -8.222 -11.717 -8.110 1.00 11.45 C ATOM 118 O ARG A 8 -8.206 -10.767 -8.898 1.00 33.10 O ATOM 119 CB ARG A 8 -10.263 -13.041 -8.676 1.00 71.43 C ATOM 120 CG ARG A 8 -10.998 -12.500 -7.459 1.00 32.21 C ATOM 121 CD ARG A 8 -12.494 -12.381 -7.710 1.00 54.34 C ATOM 122 NE ARG A 8 -13.194 -11.825 -6.547 1.00 35.23 N ATOM 123 CZ ARG A 8 -14.474 -11.419 -6.522 1.00 32.42 C ATOM 124 NH1 ARG A 8 -15.221 -11.453 -7.621 1.00 1.24 N ATOM 125 NH2 ARG A 8 -14.994 -10.971 -5.386 1.00 31.34 N ATOM 0 H ARG A 8 -8.965 -14.186 -6.764 1.00 23.13 H new ATOM 0 HA ARG A 8 -8.319 -13.383 -9.493 1.00 4.32 H new ATOM 0 HB2 ARG A 8 -10.515 -12.426 -9.540 1.00 71.43 H new ATOM 0 HB3 ARG A 8 -10.624 -14.048 -8.885 1.00 71.43 H new ATOM 0 HG2 ARG A 8 -10.823 -13.157 -6.607 1.00 32.21 H new ATOM 0 HG3 ARG A 8 -10.595 -11.522 -7.195 1.00 32.21 H new ATOM 0 HD2 ARG A 8 -12.668 -11.746 -8.578 1.00 54.34 H new ATOM 0 HD3 ARG A 8 -12.903 -13.363 -7.946 1.00 54.34 H new ATOM 0 HE ARG A 8 -12.662 -11.739 -5.681 1.00 35.23 H new ATOM 0 HH11 ARG A 8 -14.823 -11.791 -8.498 1.00 1.24 H new ATOM 0 HH12 ARG A 8 -16.192 -11.142 -7.588 1.00 1.24 H new ATOM 0 HH21 ARG A 8 -14.422 -10.937 -4.542 1.00 31.34 H new ATOM 0 HH22 ARG A 8 -15.965 -10.660 -5.357 1.00 31.34 H new ATOM 139 N CYS A 9 -7.820 -11.627 -6.857 1.00 52.12 N ATOM 140 CA CYS A 9 -7.311 -10.413 -6.306 1.00 4.25 C ATOM 141 C CYS A 9 -5.835 -10.601 -5.987 1.00 73.42 C ATOM 142 O CYS A 9 -5.452 -11.636 -5.455 1.00 50.33 O ATOM 143 CB CYS A 9 -8.085 -10.087 -5.025 1.00 44.34 C ATOM 144 SG CYS A 9 -9.893 -9.975 -5.269 1.00 3.33 S ATOM 0 H CYS A 9 -7.843 -12.406 -6.199 1.00 52.12 H new ATOM 0 HA CYS A 9 -7.427 -9.594 -7.016 1.00 4.25 H new ATOM 0 HB2 CYS A 9 -7.875 -10.853 -4.279 1.00 44.34 H new ATOM 0 HB3 CYS A 9 -7.722 -9.141 -4.622 1.00 44.34 H new ATOM 149 N PRO A 10 -5.000 -9.603 -6.323 1.00 23.14 N ATOM 150 CA PRO A 10 -3.545 -9.624 -6.068 1.00 30.55 C ATOM 151 C PRO A 10 -3.154 -9.979 -4.616 1.00 54.43 C ATOM 152 O PRO A 10 -2.179 -10.718 -4.391 1.00 21.11 O ATOM 153 CB PRO A 10 -3.114 -8.191 -6.414 1.00 63.23 C ATOM 154 CG PRO A 10 -4.096 -7.752 -7.431 1.00 42.24 C ATOM 155 CD PRO A 10 -5.401 -8.387 -7.050 1.00 61.12 C ATOM 0 HA PRO A 10 -3.056 -10.401 -6.655 1.00 30.55 H new ATOM 0 HB2 PRO A 10 -3.135 -7.546 -5.536 1.00 63.23 H new ATOM 0 HB3 PRO A 10 -2.097 -8.164 -6.805 1.00 63.23 H new ATOM 0 HG2 PRO A 10 -4.181 -6.665 -7.447 1.00 42.24 H new ATOM 0 HG3 PRO A 10 -3.788 -8.062 -8.430 1.00 42.24 H new ATOM 0 HD2 PRO A 10 -6.000 -7.726 -6.424 1.00 61.12 H new ATOM 0 HD3 PRO A 10 -6.001 -8.625 -7.928 1.00 61.12 H new ATOM 163 N CYS A 11 -3.899 -9.475 -3.650 1.00 22.15 N ATOM 164 CA CYS A 11 -3.592 -9.724 -2.254 1.00 71.20 C ATOM 165 C CYS A 11 -4.818 -10.102 -1.435 1.00 5.43 C ATOM 166 O CYS A 11 -5.841 -9.415 -1.461 1.00 55.12 O ATOM 167 CB CYS A 11 -2.911 -8.509 -1.622 1.00 34.42 C ATOM 168 SG CYS A 11 -1.253 -8.135 -2.270 1.00 61.10 S ATOM 0 H CYS A 11 -4.721 -8.891 -3.806 1.00 22.15 H new ATOM 0 HA CYS A 11 -2.913 -10.576 -2.241 1.00 71.20 H new ATOM 0 HB2 CYS A 11 -3.548 -7.637 -1.769 1.00 34.42 H new ATOM 0 HB3 CYS A 11 -2.837 -8.671 -0.547 1.00 34.42 H new ATOM 173 N ARG A 12 -4.716 -11.207 -0.729 1.00 10.20 N ATOM 174 CA ARG A 12 -5.741 -11.617 0.213 1.00 33.25 C ATOM 175 C ARG A 12 -5.304 -11.258 1.621 1.00 2.10 C ATOM 176 O ARG A 12 -6.121 -10.900 2.472 1.00 21.12 O ATOM 177 CB ARG A 12 -6.007 -13.118 0.136 1.00 23.50 C ATOM 178 CG ARG A 12 -6.573 -13.597 -1.182 1.00 71.54 C ATOM 179 CD ARG A 12 -6.820 -15.086 -1.129 1.00 44.34 C ATOM 180 NE ARG A 12 -7.448 -15.596 -2.348 1.00 72.41 N ATOM 181 CZ ARG A 12 -7.767 -16.878 -2.545 1.00 73.34 C ATOM 182 NH1 ARG A 12 -7.472 -17.789 -1.616 1.00 51.34 N ATOM 183 NH2 ARG A 12 -8.378 -17.248 -3.666 1.00 74.12 N ATOM 0 H ARG A 12 -3.924 -11.847 -0.790 1.00 10.20 H new ATOM 0 HA ARG A 12 -6.663 -11.095 -0.044 1.00 33.25 H new ATOM 0 HB2 ARG A 12 -5.074 -13.648 0.328 1.00 23.50 H new ATOM 0 HB3 ARG A 12 -6.699 -13.391 0.933 1.00 23.50 H new ATOM 0 HG2 ARG A 12 -7.504 -13.073 -1.399 1.00 71.54 H new ATOM 0 HG3 ARG A 12 -5.880 -13.364 -1.991 1.00 71.54 H new ATOM 0 HD2 ARG A 12 -5.873 -15.602 -0.969 1.00 44.34 H new ATOM 0 HD3 ARG A 12 -7.456 -15.315 -0.274 1.00 44.34 H new ATOM 0 HE ARG A 12 -7.655 -14.931 -3.094 1.00 72.41 H new ATOM 0 HH11 ARG A 12 -7.003 -17.506 -0.755 1.00 51.34 H new ATOM 0 HH12 ARG A 12 -7.716 -18.768 -1.766 1.00 51.34 H new ATOM 0 HH21 ARG A 12 -8.604 -16.553 -4.377 1.00 74.12 H new ATOM 0 HH22 ARG A 12 -8.621 -18.227 -3.815 1.00 74.12 H new ATOM 197 N PHE A 13 -4.021 -11.371 1.865 1.00 24.32 N ATOM 198 CA PHE A 13 -3.452 -11.045 3.152 1.00 64.34 C ATOM 199 C PHE A 13 -2.666 -9.756 3.038 1.00 34.45 C ATOM 200 O PHE A 13 -2.104 -9.462 1.984 1.00 12.01 O ATOM 201 CB PHE A 13 -2.552 -12.194 3.670 1.00 75.32 C ATOM 202 CG PHE A 13 -1.375 -12.538 2.779 1.00 2.13 C ATOM 203 CD1 PHE A 13 -1.516 -13.443 1.739 1.00 1.24 C ATOM 204 CD2 PHE A 13 -0.130 -11.958 2.991 1.00 73.45 C ATOM 205 CE1 PHE A 13 -0.445 -13.760 0.926 1.00 23.14 C ATOM 206 CE2 PHE A 13 0.943 -12.273 2.183 1.00 21.53 C ATOM 207 CZ PHE A 13 0.786 -13.175 1.150 1.00 30.41 C ATOM 0 H PHE A 13 -3.340 -11.692 1.177 1.00 24.32 H new ATOM 0 HA PHE A 13 -4.258 -10.912 3.873 1.00 64.34 H new ATOM 0 HB2 PHE A 13 -2.175 -11.923 4.656 1.00 75.32 H new ATOM 0 HB3 PHE A 13 -3.165 -13.086 3.797 1.00 75.32 H new ATOM 0 HD1 PHE A 13 -2.475 -13.906 1.562 1.00 1.24 H new ATOM 0 HD2 PHE A 13 -0.001 -11.252 3.798 1.00 73.45 H new ATOM 0 HE1 PHE A 13 -0.570 -14.464 0.117 1.00 23.14 H new ATOM 0 HE2 PHE A 13 1.905 -11.814 2.359 1.00 21.53 H new ATOM 0 HZ PHE A 13 1.625 -13.423 0.517 1.00 30.41 H new ATOM 217 N PHE A 14 -2.649 -8.990 4.089 1.00 44.13 N ATOM 218 CA PHE A 14 -1.927 -7.739 4.122 1.00 12.21 C ATOM 219 C PHE A 14 -1.158 -7.646 5.407 1.00 21.30 C ATOM 220 O PHE A 14 -1.564 -8.221 6.424 1.00 51.11 O ATOM 221 CB PHE A 14 -2.875 -6.549 4.072 1.00 1.23 C ATOM 222 CG PHE A 14 -3.823 -6.498 2.919 1.00 52.13 C ATOM 223 CD1 PHE A 14 -3.421 -6.021 1.692 1.00 51.44 C ATOM 224 CD2 PHE A 14 -5.131 -6.903 3.080 1.00 54.44 C ATOM 225 CE1 PHE A 14 -4.306 -5.953 0.642 1.00 62.15 C ATOM 226 CE2 PHE A 14 -6.019 -6.841 2.041 1.00 42.35 C ATOM 227 CZ PHE A 14 -5.611 -6.365 0.814 1.00 40.34 C ATOM 0 H PHE A 14 -3.137 -9.212 4.957 1.00 44.13 H new ATOM 0 HA PHE A 14 -1.267 -7.715 3.255 1.00 12.21 H new ATOM 0 HB2 PHE A 14 -3.458 -6.539 4.993 1.00 1.23 H new ATOM 0 HB3 PHE A 14 -2.277 -5.637 4.063 1.00 1.23 H new ATOM 0 HD1 PHE A 14 -2.400 -5.697 1.553 1.00 51.44 H new ATOM 0 HD2 PHE A 14 -5.459 -7.274 4.040 1.00 54.44 H new ATOM 0 HE1 PHE A 14 -3.980 -5.577 -0.317 1.00 62.15 H new ATOM 0 HE2 PHE A 14 -7.039 -7.165 2.183 1.00 42.35 H new ATOM 0 HZ PHE A 14 -6.309 -6.315 -0.008 1.00 40.34 H new ATOM 237 N GLU A 15 -0.062 -6.965 5.372 1.00 51.43 N ATOM 238 CA GLU A 15 0.683 -6.701 6.543 1.00 24.44 C ATOM 239 C GLU A 15 0.269 -5.415 7.149 1.00 20.24 C ATOM 240 O GLU A 15 0.276 -4.364 6.502 1.00 23.03 O ATOM 241 CB GLU A 15 2.180 -6.686 6.310 1.00 23.31 C ATOM 242 CG GLU A 15 2.773 -8.023 6.070 1.00 62.20 C ATOM 243 CD GLU A 15 2.456 -8.959 7.209 1.00 54.34 C ATOM 244 OE1 GLU A 15 2.780 -8.624 8.372 1.00 43.44 O ATOM 245 OE2 GLU A 15 1.847 -10.012 6.973 1.00 43.44 O ATOM 0 H GLU A 15 0.340 -6.575 4.519 1.00 51.43 H new ATOM 0 HA GLU A 15 0.468 -7.524 7.225 1.00 24.44 H new ATOM 0 HB2 GLU A 15 2.396 -6.046 5.454 1.00 23.31 H new ATOM 0 HB3 GLU A 15 2.666 -6.236 7.175 1.00 23.31 H new ATOM 0 HG2 GLU A 15 2.389 -8.435 5.137 1.00 62.20 H new ATOM 0 HG3 GLU A 15 3.853 -7.932 5.957 1.00 62.20 H new ATOM 252 N SER A 16 -0.098 -5.494 8.371 1.00 4.44 N ATOM 253 CA SER A 16 -0.425 -4.347 9.129 1.00 22.33 C ATOM 254 C SER A 16 0.727 -4.130 10.121 1.00 14.45 C ATOM 255 O SER A 16 0.622 -3.376 11.081 1.00 11.52 O ATOM 256 CB SER A 16 -1.763 -4.586 9.848 1.00 62.24 C ATOM 257 OG SER A 16 -2.254 -3.406 10.468 1.00 22.35 O ATOM 0 H SER A 16 -0.181 -6.372 8.883 1.00 4.44 H new ATOM 0 HA SER A 16 -0.545 -3.459 8.508 1.00 22.33 H new ATOM 0 HB2 SER A 16 -2.499 -4.952 9.132 1.00 62.24 H new ATOM 0 HB3 SER A 16 -1.636 -5.364 10.600 1.00 62.24 H new ATOM 0 HG SER A 16 -1.542 -2.996 11.002 1.00 22.35 H new ATOM 263 N HIS A 17 1.851 -4.795 9.836 1.00 20.44 N ATOM 264 CA HIS A 17 3.028 -4.767 10.702 1.00 32.30 C ATOM 265 C HIS A 17 4.147 -3.962 10.075 1.00 21.00 C ATOM 266 O HIS A 17 5.254 -3.902 10.617 1.00 33.53 O ATOM 267 CB HIS A 17 3.557 -6.186 10.926 1.00 62.15 C ATOM 268 CG HIS A 17 2.576 -7.102 11.533 1.00 53.42 C ATOM 269 ND1 HIS A 17 1.936 -8.074 10.823 1.00 64.54 N ATOM 270 CD2 HIS A 17 2.106 -7.185 12.791 1.00 53.12 C ATOM 271 CE1 HIS A 17 1.111 -8.706 11.606 1.00 0.34 C ATOM 272 NE2 HIS A 17 1.193 -8.192 12.808 1.00 63.31 N ATOM 0 H HIS A 17 1.968 -5.366 8.999 1.00 20.44 H new ATOM 0 HA HIS A 17 2.722 -4.313 11.645 1.00 32.30 H new ATOM 0 HB2 HIS A 17 3.880 -6.598 9.970 1.00 62.15 H new ATOM 0 HB3 HIS A 17 4.438 -6.138 11.566 1.00 62.15 H new ATOM 0 HD1 HIS A 17 2.081 -8.274 9.833 1.00 64.54 H new ATOM 0 HD2 HIS A 17 2.399 -6.569 13.628 1.00 53.12 H new ATOM 0 HE1 HIS A 17 0.465 -9.520 11.313 1.00 0.34 H new ATOM 281 N VAL A 18 3.859 -3.335 8.958 1.00 34.50 N ATOM 282 CA VAL A 18 4.892 -2.680 8.171 1.00 55.24 C ATOM 283 C VAL A 18 5.285 -1.319 8.755 1.00 64.04 C ATOM 284 O VAL A 18 4.450 -0.622 9.337 1.00 72.45 O ATOM 285 CB VAL A 18 4.459 -2.516 6.687 1.00 14.30 C ATOM 286 CG1 VAL A 18 5.612 -2.002 5.822 1.00 22.14 C ATOM 287 CG2 VAL A 18 3.923 -3.827 6.129 1.00 1.13 C ATOM 0 H VAL A 18 2.919 -3.262 8.569 1.00 34.50 H new ATOM 0 HA VAL A 18 5.767 -3.329 8.210 1.00 55.24 H new ATOM 0 HB VAL A 18 3.660 -1.775 6.660 1.00 14.30 H new ATOM 0 HG11 VAL A 18 5.275 -1.899 4.791 1.00 22.14 H new ATOM 0 HG12 VAL A 18 5.942 -1.032 6.195 1.00 22.14 H new ATOM 0 HG13 VAL A 18 6.441 -2.708 5.864 1.00 22.14 H new ATOM 0 HG21 VAL A 18 3.627 -3.686 5.090 1.00 1.13 H new ATOM 0 HG22 VAL A 18 4.699 -4.590 6.185 1.00 1.13 H new ATOM 0 HG23 VAL A 18 3.059 -4.145 6.713 1.00 1.13 H new ATOM 297 N ALA A 19 6.555 -0.979 8.603 1.00 63.33 N ATOM 298 CA ALA A 19 7.109 0.281 9.045 1.00 14.44 C ATOM 299 C ALA A 19 7.520 1.126 7.825 1.00 53.10 C ATOM 300 O ALA A 19 8.122 0.605 6.876 1.00 73.10 O ATOM 301 CB ALA A 19 8.318 0.010 9.928 1.00 71.21 C ATOM 0 H ALA A 19 7.241 -1.589 8.158 1.00 63.33 H new ATOM 0 HA ALA A 19 6.362 0.833 9.615 1.00 14.44 H new ATOM 0 HB1 ALA A 19 8.742 0.956 10.265 1.00 71.21 H new ATOM 0 HB2 ALA A 19 8.012 -0.580 10.792 1.00 71.21 H new ATOM 0 HB3 ALA A 19 9.067 -0.541 9.360 1.00 71.21 H new ATOM 307 N ARG A 20 7.210 2.423 7.851 1.00 34.24 N ATOM 308 CA ARG A 20 7.549 3.341 6.741 1.00 13.31 C ATOM 309 C ARG A 20 9.067 3.478 6.556 1.00 44.15 C ATOM 310 O ARG A 20 9.548 3.689 5.443 1.00 55.10 O ATOM 311 CB ARG A 20 6.887 4.728 6.938 1.00 62.32 C ATOM 312 CG ARG A 20 7.233 5.798 5.872 1.00 74.11 C ATOM 313 CD ARG A 20 6.864 5.365 4.446 1.00 32.10 C ATOM 314 NE ARG A 20 7.156 6.420 3.454 1.00 60.25 N ATOM 315 CZ ARG A 20 7.438 6.222 2.151 1.00 61.22 C ATOM 316 NH1 ARG A 20 7.545 4.985 1.662 1.00 61.04 N ATOM 317 NH2 ARG A 20 7.626 7.272 1.353 1.00 74.33 N ATOM 0 H ARG A 20 6.723 2.871 8.627 1.00 34.24 H new ATOM 0 HA ARG A 20 7.148 2.902 5.828 1.00 13.31 H new ATOM 0 HB2 ARG A 20 5.805 4.594 6.954 1.00 62.32 H new ATOM 0 HB3 ARG A 20 7.175 5.111 7.917 1.00 62.32 H new ATOM 0 HG2 ARG A 20 6.710 6.724 6.111 1.00 74.11 H new ATOM 0 HG3 ARG A 20 8.300 6.014 5.915 1.00 74.11 H new ATOM 0 HD2 ARG A 20 7.416 4.461 4.187 1.00 32.10 H new ATOM 0 HD3 ARG A 20 5.804 5.113 4.406 1.00 32.10 H new ATOM 0 HE ARG A 20 7.143 7.385 3.785 1.00 60.25 H new ATOM 0 HH11 ARG A 20 7.413 4.181 2.276 1.00 61.04 H new ATOM 0 HH12 ARG A 20 7.759 4.844 0.675 1.00 61.04 H new ATOM 0 HH21 ARG A 20 7.556 8.217 1.729 1.00 74.33 H new ATOM 0 HH22 ARG A 20 7.840 7.130 0.366 1.00 74.33 H new ATOM 331 N ALA A 21 9.809 3.337 7.625 1.00 44.41 N ATOM 332 CA ALA A 21 11.256 3.440 7.553 1.00 1.44 C ATOM 333 C ALA A 21 11.878 2.141 7.039 1.00 4.21 C ATOM 334 O ALA A 21 13.046 2.107 6.681 1.00 73.24 O ATOM 335 CB ALA A 21 11.830 3.806 8.913 1.00 21.14 C ATOM 0 H ALA A 21 9.441 3.151 8.558 1.00 44.41 H new ATOM 0 HA ALA A 21 11.503 4.231 6.845 1.00 1.44 H new ATOM 0 HB1 ALA A 21 12.915 3.879 8.842 1.00 21.14 H new ATOM 0 HB2 ALA A 21 11.422 4.764 9.234 1.00 21.14 H new ATOM 0 HB3 ALA A 21 11.565 3.037 9.639 1.00 21.14 H new ATOM 341 N ASN A 22 11.087 1.085 6.990 1.00 73.34 N ATOM 342 CA ASN A 22 11.590 -0.215 6.556 1.00 53.54 C ATOM 343 C ASN A 22 11.148 -0.522 5.124 1.00 10.02 C ATOM 344 O ASN A 22 11.691 -1.395 4.478 1.00 31.01 O ATOM 345 CB ASN A 22 11.111 -1.317 7.515 1.00 41.05 C ATOM 346 CG ASN A 22 11.679 -2.707 7.209 1.00 11.01 C ATOM 347 OD1 ASN A 22 12.799 -2.857 6.699 1.00 74.11 O ATOM 348 ND2 ASN A 22 10.918 -3.721 7.521 1.00 15.23 N ATOM 0 H ASN A 22 10.099 1.096 7.243 1.00 73.34 H new ATOM 0 HA ASN A 22 12.679 -0.184 6.573 1.00 53.54 H new ATOM 0 HB2 ASN A 22 11.385 -1.041 8.533 1.00 41.05 H new ATOM 0 HB3 ASN A 22 10.023 -1.366 7.480 1.00 41.05 H new ATOM 0 HD21 ASN A 22 11.240 -4.673 7.346 1.00 15.23 H new ATOM 0 HD22 ASN A 22 10.002 -3.561 7.939 1.00 15.23 H new ATOM 355 N VAL A 23 10.167 0.199 4.631 1.00 22.01 N ATOM 356 CA VAL A 23 9.696 -0.019 3.273 1.00 71.21 C ATOM 357 C VAL A 23 10.581 0.731 2.254 1.00 30.44 C ATOM 358 O VAL A 23 10.845 1.923 2.405 1.00 23.32 O ATOM 359 CB VAL A 23 8.185 0.364 3.105 1.00 32.13 C ATOM 360 CG1 VAL A 23 7.931 1.826 3.413 1.00 12.14 C ATOM 361 CG2 VAL A 23 7.692 0.025 1.717 1.00 42.41 C ATOM 0 H VAL A 23 9.680 0.936 5.141 1.00 22.01 H new ATOM 0 HA VAL A 23 9.777 -1.087 3.070 1.00 71.21 H new ATOM 0 HB VAL A 23 7.625 -0.227 3.829 1.00 32.13 H new ATOM 0 HG11 VAL A 23 6.871 2.046 3.284 1.00 12.14 H new ATOM 0 HG12 VAL A 23 8.222 2.037 4.442 1.00 12.14 H new ATOM 0 HG13 VAL A 23 8.516 2.448 2.735 1.00 12.14 H new ATOM 0 HG21 VAL A 23 6.641 0.301 1.627 1.00 42.41 H new ATOM 0 HG22 VAL A 23 8.276 0.575 0.979 1.00 42.41 H new ATOM 0 HG23 VAL A 23 7.803 -1.045 1.543 1.00 42.41 H new ATOM 371 N LYS A 24 11.051 0.023 1.244 1.00 60.20 N ATOM 372 CA LYS A 24 11.901 0.625 0.216 1.00 32.40 C ATOM 373 C LYS A 24 11.061 1.271 -0.847 1.00 3.24 C ATOM 374 O LYS A 24 11.398 2.323 -1.381 1.00 72.02 O ATOM 375 CB LYS A 24 12.803 -0.423 -0.477 1.00 42.40 C ATOM 376 CG LYS A 24 12.030 -1.544 -1.173 1.00 65.35 C ATOM 377 CD LYS A 24 12.825 -2.251 -2.245 1.00 32.41 C ATOM 378 CE LYS A 24 13.208 -1.276 -3.346 1.00 24.14 C ATOM 379 NZ LYS A 24 13.884 -1.944 -4.488 1.00 25.21 N ATOM 0 H LYS A 24 10.862 -0.970 1.107 1.00 60.20 H new ATOM 0 HA LYS A 24 12.524 1.361 0.723 1.00 32.40 H new ATOM 0 HB2 LYS A 24 13.431 0.082 -1.211 1.00 42.40 H new ATOM 0 HB3 LYS A 24 13.470 -0.862 0.265 1.00 42.40 H new ATOM 0 HG2 LYS A 24 11.713 -2.273 -0.427 1.00 65.35 H new ATOM 0 HG3 LYS A 24 11.125 -1.129 -1.617 1.00 65.35 H new ATOM 0 HD2 LYS A 24 13.723 -2.691 -1.811 1.00 32.41 H new ATOM 0 HD3 LYS A 24 12.238 -3.069 -2.662 1.00 32.41 H new ATOM 0 HE2 LYS A 24 12.313 -0.768 -3.705 1.00 24.14 H new ATOM 0 HE3 LYS A 24 13.866 -0.510 -2.936 1.00 24.14 H new ATOM 0 HZ1 LYS A 24 14.124 -1.236 -5.211 1.00 25.21 H new ATOM 0 HZ2 LYS A 24 14.753 -2.407 -4.154 1.00 25.21 H new ATOM 0 HZ3 LYS A 24 13.248 -2.657 -4.899 1.00 25.21 H new ATOM 393 N HIS A 25 9.960 0.649 -1.126 1.00 24.50 N ATOM 394 CA HIS A 25 9.159 0.990 -2.242 1.00 54.14 C ATOM 395 C HIS A 25 7.738 0.579 -1.987 1.00 53.03 C ATOM 396 O HIS A 25 7.459 -0.597 -1.751 1.00 34.10 O ATOM 397 CB HIS A 25 9.758 0.273 -3.457 1.00 53.53 C ATOM 398 CG HIS A 25 8.999 0.366 -4.726 1.00 53.32 C ATOM 399 ND1 HIS A 25 8.584 1.539 -5.300 1.00 51.13 N ATOM 400 CD2 HIS A 25 8.579 -0.609 -5.520 1.00 64.54 C ATOM 401 CE1 HIS A 25 7.924 1.273 -6.403 1.00 73.34 C ATOM 402 NE2 HIS A 25 7.906 -0.033 -6.562 1.00 42.30 N ATOM 0 H HIS A 25 9.592 -0.123 -0.570 1.00 24.50 H new ATOM 0 HA HIS A 25 9.148 2.065 -2.423 1.00 54.14 H new ATOM 0 HB2 HIS A 25 10.758 0.672 -3.629 1.00 53.53 H new ATOM 0 HB3 HIS A 25 9.874 -0.781 -3.207 1.00 53.53 H new ATOM 0 HD2 HIS A 25 8.739 -1.667 -5.371 1.00 64.54 H new ATOM 0 HE1 HIS A 25 7.474 1.999 -7.064 1.00 73.34 H new ATOM 0 HE2 HIS A 25 7.464 -0.533 -7.334 1.00 42.30 H new ATOM 411 N LEU A 26 6.870 1.540 -2.020 1.00 64.24 N ATOM 412 CA LEU A 26 5.478 1.360 -1.742 1.00 71.22 C ATOM 413 C LEU A 26 4.723 1.557 -3.061 1.00 45.10 C ATOM 414 O LEU A 26 4.944 2.546 -3.756 1.00 52.02 O ATOM 415 CB LEU A 26 5.090 2.437 -0.681 1.00 12.14 C ATOM 416 CG LEU A 26 3.714 2.364 0.016 1.00 64.10 C ATOM 417 CD1 LEU A 26 2.572 2.595 -0.929 1.00 44.03 C ATOM 418 CD2 LEU A 26 3.552 1.047 0.709 1.00 55.23 C ATOM 0 H LEU A 26 7.117 2.503 -2.248 1.00 64.24 H new ATOM 0 HA LEU A 26 5.236 0.372 -1.350 1.00 71.22 H new ATOM 0 HB2 LEU A 26 5.851 2.415 0.099 1.00 12.14 H new ATOM 0 HB3 LEU A 26 5.158 3.411 -1.166 1.00 12.14 H new ATOM 0 HG LEU A 26 3.688 3.169 0.750 1.00 64.10 H new ATOM 0 HD11 LEU A 26 1.630 2.532 -0.384 1.00 44.03 H new ATOM 0 HD12 LEU A 26 2.666 3.584 -1.378 1.00 44.03 H new ATOM 0 HD13 LEU A 26 2.589 1.837 -1.712 1.00 44.03 H new ATOM 0 HD21 LEU A 26 2.578 1.010 1.196 1.00 55.23 H new ATOM 0 HD22 LEU A 26 3.624 0.241 -0.021 1.00 55.23 H new ATOM 0 HD23 LEU A 26 4.336 0.931 1.457 1.00 55.23 H new ATOM 430 N LYS A 27 3.862 0.626 -3.409 1.00 73.02 N ATOM 431 CA LYS A 27 3.128 0.707 -4.650 1.00 62.02 C ATOM 432 C LYS A 27 1.720 0.175 -4.408 1.00 31.15 C ATOM 433 O LYS A 27 1.541 -0.988 -4.108 1.00 32.13 O ATOM 434 CB LYS A 27 3.851 -0.166 -5.700 1.00 12.52 C ATOM 435 CG LYS A 27 3.537 0.145 -7.173 1.00 30.04 C ATOM 436 CD LYS A 27 2.131 -0.260 -7.588 1.00 41.02 C ATOM 437 CE LYS A 27 1.974 -1.775 -7.601 1.00 32.44 C ATOM 438 NZ LYS A 27 2.832 -2.404 -8.632 1.00 22.44 N ATOM 0 H LYS A 27 3.653 -0.199 -2.846 1.00 73.02 H new ATOM 0 HA LYS A 27 3.072 1.735 -5.009 1.00 62.02 H new ATOM 0 HB2 LYS A 27 4.926 -0.063 -5.550 1.00 12.52 H new ATOM 0 HB3 LYS A 27 3.601 -1.210 -5.509 1.00 12.52 H new ATOM 0 HG2 LYS A 27 3.666 1.213 -7.347 1.00 30.04 H new ATOM 0 HG3 LYS A 27 4.258 -0.370 -7.807 1.00 30.04 H new ATOM 0 HD2 LYS A 27 1.406 0.177 -6.901 1.00 41.02 H new ATOM 0 HD3 LYS A 27 1.912 0.139 -8.578 1.00 41.02 H new ATOM 0 HE2 LYS A 27 2.229 -2.176 -6.620 1.00 32.44 H new ATOM 0 HE3 LYS A 27 0.931 -2.032 -7.789 1.00 32.44 H new ATOM 0 HZ1 LYS A 27 2.501 -3.373 -8.815 1.00 22.44 H new ATOM 0 HZ2 LYS A 27 2.782 -1.850 -9.511 1.00 22.44 H new ATOM 0 HZ3 LYS A 27 3.816 -2.431 -8.295 1.00 22.44 H new ATOM 452 N ILE A 28 0.736 1.003 -4.534 1.00 54.33 N ATOM 453 CA ILE A 28 -0.616 0.547 -4.302 1.00 25.12 C ATOM 454 C ILE A 28 -1.269 0.149 -5.624 1.00 42.10 C ATOM 455 O ILE A 28 -1.175 0.865 -6.627 1.00 51.54 O ATOM 456 CB ILE A 28 -1.494 1.573 -3.537 1.00 54.33 C ATOM 457 CG1 ILE A 28 -0.768 2.042 -2.276 1.00 41.12 C ATOM 458 CG2 ILE A 28 -2.824 0.927 -3.146 1.00 43.14 C ATOM 459 CD1 ILE A 28 -1.568 2.989 -1.399 1.00 52.35 C ATOM 0 H ILE A 28 0.828 1.986 -4.792 1.00 54.33 H new ATOM 0 HA ILE A 28 -0.545 -0.325 -3.652 1.00 25.12 H new ATOM 0 HB ILE A 28 -1.682 2.429 -4.185 1.00 54.33 H new ATOM 0 HG12 ILE A 28 -0.492 1.168 -1.686 1.00 41.12 H new ATOM 0 HG13 ILE A 28 0.159 2.535 -2.569 1.00 41.12 H new ATOM 0 HG21 ILE A 28 -3.436 1.651 -2.609 1.00 43.14 H new ATOM 0 HG22 ILE A 28 -3.349 0.603 -4.044 1.00 43.14 H new ATOM 0 HG23 ILE A 28 -2.636 0.066 -2.505 1.00 43.14 H new ATOM 0 HD11 ILE A 28 -0.974 3.268 -0.529 1.00 52.35 H new ATOM 0 HD12 ILE A 28 -1.822 3.884 -1.967 1.00 52.35 H new ATOM 0 HD13 ILE A 28 -2.483 2.496 -1.071 1.00 52.35 H new ATOM 471 N LEU A 29 -1.901 -0.983 -5.607 1.00 3.14 N ATOM 472 CA LEU A 29 -2.514 -1.587 -6.751 1.00 21.01 C ATOM 473 C LEU A 29 -4.029 -1.630 -6.577 1.00 22.00 C ATOM 474 O LEU A 29 -4.542 -2.369 -5.739 1.00 31.14 O ATOM 475 CB LEU A 29 -1.953 -3.019 -6.889 1.00 1.34 C ATOM 476 CG LEU A 29 -2.465 -3.879 -8.045 1.00 31.44 C ATOM 477 CD1 LEU A 29 -2.286 -3.163 -9.370 1.00 34.42 C ATOM 478 CD2 LEU A 29 -1.701 -5.192 -8.073 1.00 1.24 C ATOM 0 H LEU A 29 -2.009 -1.537 -4.757 1.00 3.14 H new ATOM 0 HA LEU A 29 -2.295 -1.007 -7.647 1.00 21.01 H new ATOM 0 HB2 LEU A 29 -0.869 -2.946 -6.981 1.00 1.34 H new ATOM 0 HB3 LEU A 29 -2.159 -3.550 -5.960 1.00 1.34 H new ATOM 0 HG LEU A 29 -3.528 -4.068 -7.894 1.00 31.44 H new ATOM 0 HD11 LEU A 29 -2.657 -3.794 -10.178 1.00 34.42 H new ATOM 0 HD12 LEU A 29 -2.843 -2.226 -9.356 1.00 34.42 H new ATOM 0 HD13 LEU A 29 -1.228 -2.953 -9.530 1.00 34.42 H new ATOM 0 HD21 LEU A 29 -2.064 -5.807 -8.896 1.00 1.24 H new ATOM 0 HD22 LEU A 29 -0.638 -4.992 -8.211 1.00 1.24 H new ATOM 0 HD23 LEU A 29 -1.851 -5.721 -7.132 1.00 1.24 H new ATOM 490 N ASN A 30 -4.743 -0.829 -7.334 1.00 13.25 N ATOM 491 CA ASN A 30 -6.192 -0.865 -7.262 1.00 5.42 C ATOM 492 C ASN A 30 -6.720 -1.879 -8.253 1.00 74.23 C ATOM 493 O ASN A 30 -6.372 -1.855 -9.444 1.00 52.35 O ATOM 494 CB ASN A 30 -6.853 0.525 -7.480 1.00 31.21 C ATOM 495 CG ASN A 30 -6.617 1.125 -8.856 1.00 33.20 C ATOM 496 OD1 ASN A 30 -7.390 0.902 -9.796 1.00 2.10 O ATOM 497 ND2 ASN A 30 -5.579 1.896 -8.986 1.00 14.52 N ATOM 0 H ASN A 30 -4.357 -0.155 -7.996 1.00 13.25 H new ATOM 0 HA ASN A 30 -6.461 -1.163 -6.249 1.00 5.42 H new ATOM 0 HB2 ASN A 30 -7.927 0.432 -7.317 1.00 31.21 H new ATOM 0 HB3 ASN A 30 -6.475 1.216 -6.726 1.00 31.21 H new ATOM 0 HD21 ASN A 30 -5.382 2.338 -9.884 1.00 14.52 H new ATOM 0 HD22 ASN A 30 -4.962 2.059 -8.190 1.00 14.52 H new ATOM 504 N THR A 31 -7.483 -2.804 -7.769 1.00 73.44 N ATOM 505 CA THR A 31 -8.052 -3.814 -8.598 1.00 53.12 C ATOM 506 C THR A 31 -9.572 -3.807 -8.426 1.00 2.41 C ATOM 507 O THR A 31 -10.059 -3.781 -7.291 1.00 42.34 O ATOM 508 CB THR A 31 -7.483 -5.189 -8.214 1.00 34.45 C ATOM 509 OG1 THR A 31 -6.055 -5.149 -8.275 1.00 44.04 O ATOM 510 CG2 THR A 31 -7.989 -6.292 -9.126 1.00 41.21 C ATOM 0 H THR A 31 -7.730 -2.880 -6.782 1.00 73.44 H new ATOM 0 HA THR A 31 -7.804 -3.614 -9.640 1.00 53.12 H new ATOM 0 HB THR A 31 -7.818 -5.411 -7.201 1.00 34.45 H new ATOM 0 HG1 THR A 31 -5.729 -5.910 -8.800 1.00 44.04 H new ATOM 0 HG21 THR A 31 -7.560 -7.245 -8.817 1.00 41.21 H new ATOM 0 HG22 THR A 31 -9.076 -6.346 -9.064 1.00 41.21 H new ATOM 0 HG23 THR A 31 -7.695 -6.078 -10.153 1.00 41.21 H new ATOM 518 N PRO A 32 -10.331 -3.828 -9.535 1.00 24.35 N ATOM 519 CA PRO A 32 -11.787 -3.834 -9.506 1.00 64.12 C ATOM 520 C PRO A 32 -12.318 -4.961 -8.645 1.00 11.11 C ATOM 521 O PRO A 32 -11.923 -6.125 -8.799 1.00 13.30 O ATOM 522 CB PRO A 32 -12.190 -4.058 -10.962 1.00 61.55 C ATOM 523 CG PRO A 32 -11.027 -3.593 -11.745 1.00 5.31 C ATOM 524 CD PRO A 32 -9.822 -3.874 -10.899 1.00 1.13 C ATOM 0 HA PRO A 32 -12.188 -2.912 -9.085 1.00 64.12 H new ATOM 0 HB2 PRO A 32 -12.405 -5.109 -11.157 1.00 61.55 H new ATOM 0 HB3 PRO A 32 -13.089 -3.496 -11.216 1.00 61.55 H new ATOM 0 HG2 PRO A 32 -10.965 -4.116 -12.699 1.00 5.31 H new ATOM 0 HG3 PRO A 32 -11.107 -2.529 -11.969 1.00 5.31 H new ATOM 0 HD2 PRO A 32 -9.389 -4.847 -11.131 1.00 1.13 H new ATOM 0 HD3 PRO A 32 -9.040 -3.131 -11.059 1.00 1.13 H new ATOM 532 N ASN A 33 -13.150 -4.584 -7.710 1.00 55.02 N ATOM 533 CA ASN A 33 -13.847 -5.485 -6.751 1.00 43.31 C ATOM 534 C ASN A 33 -12.938 -5.957 -5.626 1.00 34.10 C ATOM 535 O ASN A 33 -13.407 -6.459 -4.597 1.00 61.44 O ATOM 536 CB ASN A 33 -14.522 -6.700 -7.443 1.00 64.42 C ATOM 537 CG ASN A 33 -15.571 -6.304 -8.461 1.00 25.25 C ATOM 538 OD1 ASN A 33 -16.221 -5.265 -8.335 1.00 44.54 O ATOM 539 ND2 ASN A 33 -15.743 -7.113 -9.470 1.00 60.51 N ATOM 0 H ASN A 33 -13.389 -3.603 -7.567 1.00 55.02 H new ATOM 0 HA ASN A 33 -14.637 -4.875 -6.313 1.00 43.31 H new ATOM 0 HB2 ASN A 33 -13.757 -7.300 -7.935 1.00 64.42 H new ATOM 0 HB3 ASN A 33 -14.983 -7.332 -6.684 1.00 64.42 H new ATOM 0 HD21 ASN A 33 -16.434 -6.894 -10.187 1.00 60.51 H new ATOM 0 HD22 ASN A 33 -15.186 -7.965 -9.541 1.00 60.51 H new ATOM 546 N CYS A 34 -11.658 -5.774 -5.791 1.00 42.11 N ATOM 547 CA CYS A 34 -10.704 -6.234 -4.813 1.00 41.30 C ATOM 548 C CYS A 34 -10.146 -5.072 -4.017 1.00 61.32 C ATOM 549 O CYS A 34 -9.317 -5.269 -3.121 1.00 0.44 O ATOM 550 CB CYS A 34 -9.580 -6.979 -5.502 1.00 71.23 C ATOM 551 SG CYS A 34 -10.124 -8.396 -6.515 1.00 70.31 S ATOM 0 H CYS A 34 -11.246 -5.306 -6.599 1.00 42.11 H new ATOM 0 HA CYS A 34 -11.213 -6.908 -4.124 1.00 41.30 H new ATOM 0 HB2 CYS A 34 -9.035 -6.282 -6.138 1.00 71.23 H new ATOM 0 HB3 CYS A 34 -8.880 -7.336 -4.746 1.00 71.23 H new ATOM 556 N ALA A 35 -10.608 -3.855 -4.362 1.00 34.22 N ATOM 557 CA ALA A 35 -10.198 -2.613 -3.701 1.00 13.33 C ATOM 558 C ALA A 35 -8.734 -2.296 -3.979 1.00 22.44 C ATOM 559 O ALA A 35 -8.076 -2.962 -4.823 1.00 40.10 O ATOM 560 CB ALA A 35 -10.463 -2.683 -2.196 1.00 35.23 C ATOM 0 H ALA A 35 -11.282 -3.711 -5.114 1.00 34.22 H new ATOM 0 HA ALA A 35 -10.798 -1.803 -4.115 1.00 13.33 H new ATOM 0 HB1 ALA A 35 -10.150 -1.750 -1.728 1.00 35.23 H new ATOM 0 HB2 ALA A 35 -11.528 -2.838 -2.021 1.00 35.23 H new ATOM 0 HB3 ALA A 35 -9.900 -3.511 -1.766 1.00 35.23 H new ATOM 566 N LEU A 36 -8.227 -1.273 -3.329 1.00 34.22 N ATOM 567 CA LEU A 36 -6.849 -0.961 -3.449 1.00 5.04 C ATOM 568 C LEU A 36 -6.005 -1.782 -2.499 1.00 33.15 C ATOM 569 O LEU A 36 -6.219 -1.807 -1.292 1.00 73.10 O ATOM 570 CB LEU A 36 -6.561 0.557 -3.459 1.00 52.42 C ATOM 571 CG LEU A 36 -7.087 1.433 -2.315 1.00 5.14 C ATOM 572 CD1 LEU A 36 -6.339 1.208 -1.012 1.00 3.42 C ATOM 573 CD2 LEU A 36 -7.031 2.873 -2.734 1.00 14.30 C ATOM 0 H LEU A 36 -8.758 -0.654 -2.717 1.00 34.22 H new ATOM 0 HA LEU A 36 -6.528 -1.271 -4.444 1.00 5.04 H new ATOM 0 HB2 LEU A 36 -5.479 0.684 -3.497 1.00 52.42 H new ATOM 0 HB3 LEU A 36 -6.962 0.959 -4.389 1.00 52.42 H new ATOM 0 HG LEU A 36 -8.120 1.148 -2.117 1.00 5.14 H new ATOM 0 HD11 LEU A 36 -6.754 1.854 -0.238 1.00 3.42 H new ATOM 0 HD12 LEU A 36 -6.442 0.166 -0.709 1.00 3.42 H new ATOM 0 HD13 LEU A 36 -5.284 1.442 -1.153 1.00 3.42 H new ATOM 0 HD21 LEU A 36 -7.404 3.502 -1.925 1.00 14.30 H new ATOM 0 HD22 LEU A 36 -6.000 3.146 -2.961 1.00 14.30 H new ATOM 0 HD23 LEU A 36 -7.648 3.018 -3.621 1.00 14.30 H new ATOM 585 N GLN A 37 -5.104 -2.489 -3.073 1.00 65.33 N ATOM 586 CA GLN A 37 -4.238 -3.390 -2.387 1.00 23.24 C ATOM 587 C GLN A 37 -2.865 -2.833 -2.456 1.00 21.20 C ATOM 588 O GLN A 37 -2.412 -2.448 -3.509 1.00 65.51 O ATOM 589 CB GLN A 37 -4.326 -4.718 -3.091 1.00 61.21 C ATOM 590 CG GLN A 37 -5.711 -5.305 -2.996 1.00 31.41 C ATOM 591 CD GLN A 37 -6.018 -6.244 -4.102 1.00 41.33 C ATOM 592 OE1 GLN A 37 -5.778 -7.447 -4.022 1.00 44.23 O ATOM 593 NE2 GLN A 37 -6.569 -5.702 -5.153 1.00 22.01 N ATOM 0 H GLN A 37 -4.938 -2.458 -4.079 1.00 65.33 H new ATOM 0 HA GLN A 37 -4.511 -3.522 -1.340 1.00 23.24 H new ATOM 0 HB2 GLN A 37 -4.054 -4.594 -4.139 1.00 61.21 H new ATOM 0 HB3 GLN A 37 -3.606 -5.410 -2.655 1.00 61.21 H new ATOM 0 HG2 GLN A 37 -5.814 -5.826 -2.044 1.00 31.41 H new ATOM 0 HG3 GLN A 37 -6.443 -4.497 -2.998 1.00 31.41 H new ATOM 0 HE21 GLN A 37 -6.749 -4.698 -5.174 1.00 22.01 H new ATOM 0 HE22 GLN A 37 -6.820 -6.282 -5.954 1.00 22.01 H new ATOM 602 N ILE A 38 -2.202 -2.792 -1.379 1.00 75.20 N ATOM 603 CA ILE A 38 -0.939 -2.144 -1.344 1.00 14.43 C ATOM 604 C ILE A 38 0.160 -3.178 -1.456 1.00 2.12 C ATOM 605 O ILE A 38 0.106 -4.206 -0.812 1.00 74.04 O ATOM 606 CB ILE A 38 -0.795 -1.385 -0.031 1.00 41.30 C ATOM 607 CG1 ILE A 38 -1.972 -0.422 0.172 1.00 30.14 C ATOM 608 CG2 ILE A 38 0.537 -0.642 0.022 1.00 3.43 C ATOM 609 CD1 ILE A 38 -1.983 0.245 1.520 1.00 64.23 C ATOM 0 H ILE A 38 -2.505 -3.200 -0.494 1.00 75.20 H new ATOM 0 HA ILE A 38 -0.864 -1.444 -2.176 1.00 14.43 H new ATOM 0 HB ILE A 38 -0.808 -2.108 0.784 1.00 41.30 H new ATOM 0 HG12 ILE A 38 -1.940 0.344 -0.602 1.00 30.14 H new ATOM 0 HG13 ILE A 38 -2.905 -0.970 0.040 1.00 30.14 H new ATOM 0 HG21 ILE A 38 0.618 -0.107 0.968 1.00 3.43 H new ATOM 0 HG22 ILE A 38 1.356 -1.357 -0.062 1.00 3.43 H new ATOM 0 HG23 ILE A 38 0.590 0.069 -0.802 1.00 3.43 H new ATOM 0 HD11 ILE A 38 -2.843 0.911 1.590 1.00 64.23 H new ATOM 0 HD12 ILE A 38 -2.047 -0.513 2.301 1.00 64.23 H new ATOM 0 HD13 ILE A 38 -1.067 0.822 1.648 1.00 64.23 H new ATOM 621 N VAL A 39 1.113 -2.915 -2.299 1.00 52.43 N ATOM 622 CA VAL A 39 2.243 -3.798 -2.520 1.00 44.34 C ATOM 623 C VAL A 39 3.510 -3.072 -2.145 1.00 0.01 C ATOM 624 O VAL A 39 3.767 -1.979 -2.636 1.00 64.13 O ATOM 625 CB VAL A 39 2.339 -4.209 -4.016 1.00 2.10 C ATOM 626 CG1 VAL A 39 3.556 -5.083 -4.282 1.00 4.01 C ATOM 627 CG2 VAL A 39 1.062 -4.888 -4.488 1.00 63.22 C ATOM 0 H VAL A 39 1.137 -2.069 -2.868 1.00 52.43 H new ATOM 0 HA VAL A 39 2.109 -4.693 -1.912 1.00 44.34 H new ATOM 0 HB VAL A 39 2.462 -3.293 -4.594 1.00 2.10 H new ATOM 0 HG11 VAL A 39 3.589 -5.350 -5.338 1.00 4.01 H new ATOM 0 HG12 VAL A 39 4.461 -4.536 -4.018 1.00 4.01 H new ATOM 0 HG13 VAL A 39 3.491 -5.990 -3.681 1.00 4.01 H new ATOM 0 HG21 VAL A 39 1.163 -5.162 -5.538 1.00 63.22 H new ATOM 0 HG22 VAL A 39 0.886 -5.785 -3.894 1.00 63.22 H new ATOM 0 HG23 VAL A 39 0.221 -4.204 -4.371 1.00 63.22 H new ATOM 637 N ALA A 40 4.283 -3.642 -1.284 1.00 61.40 N ATOM 638 CA ALA A 40 5.498 -3.005 -0.895 1.00 1.25 C ATOM 639 C ALA A 40 6.599 -3.978 -0.645 1.00 33.43 C ATOM 640 O ALA A 40 6.361 -5.134 -0.281 1.00 10.42 O ATOM 641 CB ALA A 40 5.281 -2.169 0.319 1.00 72.53 C ATOM 0 H ALA A 40 4.099 -4.541 -0.838 1.00 61.40 H new ATOM 0 HA ALA A 40 5.802 -2.372 -1.729 1.00 1.25 H new ATOM 0 HB1 ALA A 40 6.218 -1.690 0.603 1.00 72.53 H new ATOM 0 HB2 ALA A 40 4.533 -1.406 0.106 1.00 72.53 H new ATOM 0 HB3 ALA A 40 4.933 -2.799 1.137 1.00 72.53 H new ATOM 647 N ARG A 41 7.794 -3.525 -0.872 1.00 33.11 N ATOM 648 CA ARG A 41 8.958 -4.242 -0.533 1.00 0.20 C ATOM 649 C ARG A 41 9.729 -3.570 0.542 1.00 53.41 C ATOM 650 O ARG A 41 9.753 -2.343 0.634 1.00 3.10 O ATOM 651 CB ARG A 41 9.801 -4.569 -1.731 1.00 1.22 C ATOM 652 CG ARG A 41 9.457 -5.918 -2.259 1.00 12.41 C ATOM 653 CD ARG A 41 10.204 -6.286 -3.481 1.00 44.12 C ATOM 654 NE ARG A 41 9.959 -5.383 -4.605 1.00 64.02 N ATOM 655 CZ ARG A 41 10.762 -5.287 -5.672 1.00 44.25 C ATOM 656 NH1 ARG A 41 11.859 -6.022 -5.747 1.00 5.23 N ATOM 657 NH2 ARG A 41 10.460 -4.471 -6.658 1.00 24.43 N ATOM 0 H ARG A 41 7.978 -2.622 -1.310 1.00 33.11 H new ATOM 0 HA ARG A 41 8.630 -5.200 -0.128 1.00 0.20 H new ATOM 0 HB2 ARG A 41 9.648 -3.819 -2.507 1.00 1.22 H new ATOM 0 HB3 ARG A 41 10.856 -4.536 -1.460 1.00 1.22 H new ATOM 0 HG2 ARG A 41 9.653 -6.662 -1.486 1.00 12.41 H new ATOM 0 HG3 ARG A 41 8.389 -5.953 -2.472 1.00 12.41 H new ATOM 0 HD2 ARG A 41 11.271 -6.295 -3.257 1.00 44.12 H new ATOM 0 HD3 ARG A 41 9.931 -7.300 -3.773 1.00 44.12 H new ATOM 0 HE ARG A 41 9.128 -4.792 -4.574 1.00 64.02 H new ATOM 0 HH11 ARG A 41 12.095 -6.664 -4.991 1.00 5.23 H new ATOM 0 HH12 ARG A 41 12.469 -5.947 -6.561 1.00 5.23 H new ATOM 0 HH21 ARG A 41 9.611 -3.908 -6.612 1.00 24.43 H new ATOM 0 HH22 ARG A 41 11.075 -4.401 -7.469 1.00 24.43 H new ATOM 671 N LEU A 42 10.319 -4.365 1.367 1.00 32.03 N ATOM 672 CA LEU A 42 11.095 -3.871 2.491 1.00 11.12 C ATOM 673 C LEU A 42 12.521 -3.572 2.043 1.00 42.02 C ATOM 674 O LEU A 42 12.979 -4.101 1.044 1.00 1.55 O ATOM 675 CB LEU A 42 11.095 -4.919 3.598 1.00 34.45 C ATOM 676 CG LEU A 42 9.695 -5.400 4.034 1.00 33.50 C ATOM 677 CD1 LEU A 42 9.792 -6.540 5.018 1.00 41.11 C ATOM 678 CD2 LEU A 42 8.887 -4.250 4.627 1.00 12.31 C ATOM 0 H LEU A 42 10.287 -5.382 1.295 1.00 32.03 H new ATOM 0 HA LEU A 42 10.651 -2.950 2.869 1.00 11.12 H new ATOM 0 HB2 LEU A 42 11.672 -5.781 3.263 1.00 34.45 H new ATOM 0 HB3 LEU A 42 11.610 -4.509 4.467 1.00 34.45 H new ATOM 0 HG LEU A 42 9.178 -5.763 3.146 1.00 33.50 H new ATOM 0 HD11 LEU A 42 8.790 -6.857 5.307 1.00 41.11 H new ATOM 0 HD12 LEU A 42 10.318 -7.375 4.556 1.00 41.11 H new ATOM 0 HD13 LEU A 42 10.338 -6.212 5.903 1.00 41.11 H new ATOM 0 HD21 LEU A 42 7.904 -4.613 4.927 1.00 12.31 H new ATOM 0 HD22 LEU A 42 9.408 -3.850 5.497 1.00 12.31 H new ATOM 0 HD23 LEU A 42 8.771 -3.464 3.881 1.00 12.31 H new ATOM 690 N LYS A 43 13.202 -2.721 2.773 1.00 72.15 N ATOM 691 CA LYS A 43 14.570 -2.359 2.469 1.00 14.23 C ATOM 692 C LYS A 43 15.516 -3.465 2.882 1.00 11.13 C ATOM 693 O LYS A 43 16.195 -4.059 2.054 1.00 31.41 O ATOM 694 CB LYS A 43 14.966 -1.061 3.197 1.00 51.01 C ATOM 695 CG LYS A 43 14.110 0.147 2.850 1.00 33.52 C ATOM 696 CD LYS A 43 14.538 1.403 3.601 1.00 32.42 C ATOM 697 CE LYS A 43 15.958 1.809 3.250 1.00 51.54 C ATOM 698 NZ LYS A 43 16.365 3.066 3.918 1.00 23.01 N ATOM 0 H LYS A 43 12.823 -2.257 3.599 1.00 72.15 H new ATOM 0 HA LYS A 43 14.641 -2.203 1.393 1.00 14.23 H new ATOM 0 HB2 LYS A 43 14.911 -1.232 4.272 1.00 51.01 H new ATOM 0 HB3 LYS A 43 16.006 -0.832 2.964 1.00 51.01 H new ATOM 0 HG2 LYS A 43 14.167 0.332 1.777 1.00 33.52 H new ATOM 0 HG3 LYS A 43 13.068 -0.072 3.081 1.00 33.52 H new ATOM 0 HD2 LYS A 43 13.856 2.220 3.363 1.00 32.42 H new ATOM 0 HD3 LYS A 43 14.464 1.229 4.674 1.00 32.42 H new ATOM 0 HE2 LYS A 43 16.643 1.010 3.535 1.00 51.54 H new ATOM 0 HE3 LYS A 43 16.042 1.930 2.170 1.00 51.54 H new ATOM 0 HZ1 LYS A 43 17.341 3.302 3.648 1.00 23.01 H new ATOM 0 HZ2 LYS A 43 15.729 3.836 3.627 1.00 23.01 H new ATOM 0 HZ3 LYS A 43 16.311 2.944 4.949 1.00 23.01 H new ATOM 712 N ASN A 44 15.521 -3.765 4.163 1.00 1.22 N ATOM 713 CA ASN A 44 16.479 -4.714 4.711 1.00 5.03 C ATOM 714 C ASN A 44 16.068 -6.150 4.451 1.00 62.44 C ATOM 715 O ASN A 44 16.899 -7.003 4.149 1.00 51.33 O ATOM 716 CB ASN A 44 16.660 -4.479 6.218 1.00 70.25 C ATOM 717 CG ASN A 44 17.659 -5.433 6.849 1.00 43.32 C ATOM 718 OD1 ASN A 44 17.295 -6.523 7.303 1.00 31.43 O ATOM 719 ND2 ASN A 44 18.908 -5.031 6.904 1.00 62.11 N ATOM 0 H ASN A 44 14.876 -3.369 4.847 1.00 1.22 H new ATOM 0 HA ASN A 44 17.429 -4.547 4.204 1.00 5.03 H new ATOM 0 HB2 ASN A 44 16.990 -3.453 6.384 1.00 70.25 H new ATOM 0 HB3 ASN A 44 15.697 -4.588 6.716 1.00 70.25 H new ATOM 0 HD21 ASN A 44 19.617 -5.626 7.333 1.00 62.11 H new ATOM 0 HD22 ASN A 44 19.169 -4.124 6.518 1.00 62.11 H new ATOM 726 N ASN A 45 14.787 -6.407 4.538 1.00 10.51 N ATOM 727 CA ASN A 45 14.276 -7.765 4.382 1.00 23.55 C ATOM 728 C ASN A 45 13.962 -8.050 2.901 1.00 13.21 C ATOM 729 O ASN A 45 13.900 -9.198 2.472 1.00 31.11 O ATOM 730 CB ASN A 45 13.056 -7.953 5.314 1.00 51.34 C ATOM 731 CG ASN A 45 12.505 -9.374 5.379 1.00 4.32 C ATOM 732 OD1 ASN A 45 11.238 -9.499 5.727 1.00 12.53 O flip ATOM 733 ND2 ASN A 45 13.217 -10.343 5.164 1.00 62.34 N flip ATOM 0 H ASN A 45 14.072 -5.702 4.715 1.00 10.51 H new ATOM 0 HA ASN A 45 15.029 -8.496 4.677 1.00 23.55 H new ATOM 0 HB2 ASN A 45 13.336 -7.642 6.320 1.00 51.34 H new ATOM 0 HB3 ASN A 45 12.260 -7.286 4.984 1.00 51.34 H new ATOM 0 HD21 ASN A 45 14.192 -10.210 4.897 1.00 62.34 H new ATOM 0 HD22 ASN A 45 12.836 -11.285 5.252 1.00 62.34 H new ATOM 740 N ASN A 46 13.784 -6.963 2.131 1.00 53.43 N ATOM 741 CA ASN A 46 13.559 -6.980 0.647 1.00 74.40 C ATOM 742 C ASN A 46 12.409 -7.934 0.212 1.00 1.54 C ATOM 743 O ASN A 46 12.340 -8.384 -0.931 1.00 23.32 O ATOM 744 CB ASN A 46 14.885 -7.314 -0.092 1.00 11.50 C ATOM 745 CG ASN A 46 14.820 -7.049 -1.605 1.00 51.33 C ATOM 746 OD1 ASN A 46 14.101 -6.159 -2.067 1.00 63.22 O ATOM 747 ND2 ASN A 46 15.567 -7.802 -2.376 1.00 35.32 N ATOM 0 H ASN A 46 13.790 -6.019 2.517 1.00 53.43 H new ATOM 0 HA ASN A 46 13.235 -5.979 0.361 1.00 74.40 H new ATOM 0 HB2 ASN A 46 15.692 -6.722 0.339 1.00 11.50 H new ATOM 0 HB3 ASN A 46 15.133 -8.362 0.076 1.00 11.50 H new ATOM 0 HD21 ASN A 46 15.564 -7.659 -3.386 1.00 35.32 H new ATOM 0 HD22 ASN A 46 16.152 -8.530 -1.966 1.00 35.32 H new ATOM 754 N ARG A 47 11.495 -8.212 1.115 1.00 71.31 N ATOM 755 CA ARG A 47 10.381 -9.064 0.805 1.00 24.23 C ATOM 756 C ARG A 47 9.233 -8.266 0.313 1.00 1.15 C ATOM 757 O ARG A 47 9.060 -7.107 0.711 1.00 23.21 O ATOM 758 CB ARG A 47 9.948 -9.885 1.994 1.00 5.44 C ATOM 759 CG ARG A 47 10.949 -10.896 2.473 1.00 33.04 C ATOM 760 CD ARG A 47 10.321 -11.800 3.510 1.00 11.33 C ATOM 761 NE ARG A 47 9.245 -12.636 2.930 1.00 22.54 N ATOM 762 CZ ARG A 47 8.460 -13.481 3.623 1.00 35.43 C ATOM 763 NH1 ARG A 47 8.582 -13.589 4.938 1.00 4.12 N ATOM 764 NH2 ARG A 47 7.555 -14.210 2.991 1.00 23.05 N ATOM 0 H ARG A 47 11.506 -7.857 2.071 1.00 71.31 H new ATOM 0 HA ARG A 47 10.714 -9.747 0.023 1.00 24.23 H new ATOM 0 HB2 ARG A 47 9.717 -9.209 2.817 1.00 5.44 H new ATOM 0 HB3 ARG A 47 9.024 -10.405 1.739 1.00 5.44 H new ATOM 0 HG2 ARG A 47 11.309 -11.489 1.632 1.00 33.04 H new ATOM 0 HG3 ARG A 47 11.815 -10.388 2.898 1.00 33.04 H new ATOM 0 HD2 ARG A 47 11.087 -12.443 3.944 1.00 11.33 H new ATOM 0 HD3 ARG A 47 9.915 -11.196 4.321 1.00 11.33 H new ATOM 0 HE ARG A 47 9.086 -12.566 1.925 1.00 22.54 H new ATOM 0 HH11 ARG A 47 9.276 -13.029 5.434 1.00 4.12 H new ATOM 0 HH12 ARG A 47 7.982 -14.232 5.455 1.00 4.12 H new ATOM 0 HH21 ARG A 47 7.453 -14.131 1.979 1.00 23.05 H new ATOM 0 HH22 ARG A 47 6.959 -14.851 3.515 1.00 23.05 H new ATOM 778 N GLN A 48 8.457 -8.872 -0.547 1.00 12.24 N ATOM 779 CA GLN A 48 7.324 -8.238 -1.107 1.00 54.12 C ATOM 780 C GLN A 48 6.113 -8.662 -0.309 1.00 4.33 C ATOM 781 O GLN A 48 5.796 -9.855 -0.226 1.00 70.43 O ATOM 782 CB GLN A 48 7.153 -8.673 -2.555 1.00 41.53 C ATOM 783 CG GLN A 48 6.197 -7.804 -3.322 1.00 1.42 C ATOM 784 CD GLN A 48 5.838 -8.367 -4.680 1.00 35.31 C ATOM 785 OE1 GLN A 48 5.802 -9.582 -4.877 1.00 75.20 O ATOM 786 NE2 GLN A 48 5.579 -7.506 -5.619 1.00 0.11 N ATOM 0 H GLN A 48 8.607 -9.827 -0.872 1.00 12.24 H new ATOM 0 HA GLN A 48 7.444 -7.155 -1.078 1.00 54.12 H new ATOM 0 HB2 GLN A 48 8.124 -8.659 -3.050 1.00 41.53 H new ATOM 0 HB3 GLN A 48 6.798 -9.703 -2.579 1.00 41.53 H new ATOM 0 HG2 GLN A 48 5.286 -7.673 -2.738 1.00 1.42 H new ATOM 0 HG3 GLN A 48 6.638 -6.815 -3.451 1.00 1.42 H new ATOM 0 HE21 GLN A 48 5.618 -6.506 -5.419 1.00 0.11 H new ATOM 0 HE22 GLN A 48 5.336 -7.830 -6.555 1.00 0.11 H new ATOM 795 N VAL A 49 5.455 -7.716 0.275 1.00 62.12 N ATOM 796 CA VAL A 49 4.291 -7.982 1.067 1.00 31.31 C ATOM 797 C VAL A 49 3.166 -7.086 0.630 1.00 22.22 C ATOM 798 O VAL A 49 3.369 -6.150 -0.157 1.00 4.21 O ATOM 799 CB VAL A 49 4.555 -7.783 2.597 1.00 52.34 C ATOM 800 CG1 VAL A 49 5.603 -8.765 3.110 1.00 3.31 C ATOM 801 CG2 VAL A 49 4.978 -6.342 2.902 1.00 10.42 C ATOM 0 H VAL A 49 5.708 -6.729 0.218 1.00 62.12 H new ATOM 0 HA VAL A 49 4.023 -9.027 0.913 1.00 31.31 H new ATOM 0 HB VAL A 49 3.619 -7.983 3.118 1.00 52.34 H new ATOM 0 HG11 VAL A 49 5.764 -8.601 4.176 1.00 3.31 H new ATOM 0 HG12 VAL A 49 5.256 -9.785 2.948 1.00 3.31 H new ATOM 0 HG13 VAL A 49 6.539 -8.611 2.574 1.00 3.31 H new ATOM 0 HG21 VAL A 49 5.155 -6.233 3.972 1.00 10.42 H new ATOM 0 HG22 VAL A 49 5.893 -6.108 2.358 1.00 10.42 H new ATOM 0 HG23 VAL A 49 4.188 -5.658 2.593 1.00 10.42 H new ATOM 811 N CYS A 50 1.998 -7.376 1.097 1.00 74.30 N ATOM 812 CA CYS A 50 0.867 -6.550 0.820 1.00 4.42 C ATOM 813 C CYS A 50 0.646 -5.698 2.032 1.00 31.51 C ATOM 814 O CYS A 50 0.986 -6.111 3.127 1.00 21.15 O ATOM 815 CB CYS A 50 -0.353 -7.406 0.540 1.00 54.10 C ATOM 816 SG CYS A 50 -0.050 -8.683 -0.736 1.00 20.13 S ATOM 0 H CYS A 50 1.799 -8.189 1.680 1.00 74.30 H new ATOM 0 HA CYS A 50 1.039 -5.932 -0.061 1.00 4.42 H new ATOM 0 HB2 CYS A 50 -0.670 -7.890 1.463 1.00 54.10 H new ATOM 0 HB3 CYS A 50 -1.174 -6.765 0.218 1.00 54.10 H new ATOM 821 N ILE A 51 0.127 -4.526 1.863 1.00 72.34 N ATOM 822 CA ILE A 51 -0.070 -3.646 2.977 1.00 14.02 C ATOM 823 C ILE A 51 -1.525 -3.282 3.145 1.00 32.43 C ATOM 824 O ILE A 51 -2.258 -3.115 2.165 1.00 61.52 O ATOM 825 CB ILE A 51 0.817 -2.383 2.893 1.00 41.02 C ATOM 826 CG1 ILE A 51 2.270 -2.800 2.795 1.00 33.11 C ATOM 827 CG2 ILE A 51 0.608 -1.483 4.092 1.00 54.14 C ATOM 828 CD1 ILE A 51 3.247 -1.661 2.914 1.00 4.53 C ATOM 0 H ILE A 51 -0.170 -4.151 0.962 1.00 72.34 H new ATOM 0 HA ILE A 51 0.242 -4.194 3.866 1.00 14.02 H new ATOM 0 HB ILE A 51 0.536 -1.817 2.005 1.00 41.02 H new ATOM 0 HG12 ILE A 51 2.481 -3.529 3.578 1.00 33.11 H new ATOM 0 HG13 ILE A 51 2.429 -3.302 1.841 1.00 33.11 H new ATOM 0 HG21 ILE A 51 1.246 -0.604 4.003 1.00 54.14 H new ATOM 0 HG22 ILE A 51 -0.436 -1.171 4.135 1.00 54.14 H new ATOM 0 HG23 ILE A 51 0.863 -2.025 5.003 1.00 54.14 H new ATOM 0 HD11 ILE A 51 4.264 -2.044 2.834 1.00 4.53 H new ATOM 0 HD12 ILE A 51 3.066 -0.942 2.115 1.00 4.53 H new ATOM 0 HD13 ILE A 51 3.119 -1.171 3.879 1.00 4.53 H new ATOM 840 N ASP A 52 -1.931 -3.215 4.385 1.00 60.14 N ATOM 841 CA ASP A 52 -3.279 -2.892 4.769 1.00 52.53 C ATOM 842 C ASP A 52 -3.490 -1.383 4.715 1.00 50.53 C ATOM 843 O ASP A 52 -2.739 -0.618 5.351 1.00 2.11 O ATOM 844 CB ASP A 52 -3.486 -3.394 6.185 1.00 30.03 C ATOM 845 CG ASP A 52 -4.903 -3.252 6.731 1.00 32.01 C ATOM 846 OD1 ASP A 52 -5.640 -2.363 6.315 1.00 42.32 O ATOM 847 OD2 ASP A 52 -5.288 -4.054 7.615 1.00 3.22 O ATOM 0 H ASP A 52 -1.315 -3.389 5.179 1.00 60.14 H new ATOM 0 HA ASP A 52 -3.992 -3.359 4.090 1.00 52.53 H new ATOM 0 HB2 ASP A 52 -3.204 -4.446 6.224 1.00 30.03 H new ATOM 0 HB3 ASP A 52 -2.805 -2.857 6.846 1.00 30.03 H new ATOM 852 N PRO A 53 -4.515 -0.934 3.980 1.00 51.55 N ATOM 853 CA PRO A 53 -4.827 0.480 3.829 1.00 24.12 C ATOM 854 C PRO A 53 -5.350 1.165 5.110 1.00 14.42 C ATOM 855 O PRO A 53 -5.697 2.335 5.068 1.00 22.44 O ATOM 856 CB PRO A 53 -5.896 0.506 2.732 1.00 5.04 C ATOM 857 CG PRO A 53 -6.531 -0.836 2.795 1.00 74.14 C ATOM 858 CD PRO A 53 -5.451 -1.787 3.210 1.00 30.21 C ATOM 0 HA PRO A 53 -3.924 1.041 3.590 1.00 24.12 H new ATOM 0 HB2 PRO A 53 -6.624 1.298 2.907 1.00 5.04 H new ATOM 0 HB3 PRO A 53 -5.454 0.690 1.753 1.00 5.04 H new ATOM 0 HG2 PRO A 53 -7.354 -0.845 3.510 1.00 74.14 H new ATOM 0 HG3 PRO A 53 -6.947 -1.116 1.827 1.00 74.14 H new ATOM 0 HD2 PRO A 53 -5.845 -2.601 3.818 1.00 30.21 H new ATOM 0 HD3 PRO A 53 -4.963 -2.241 2.348 1.00 30.21 H new ATOM 866 N LYS A 54 -5.432 0.449 6.239 1.00 71.43 N ATOM 867 CA LYS A 54 -5.848 1.105 7.475 1.00 44.11 C ATOM 868 C LYS A 54 -4.658 1.602 8.302 1.00 43.34 C ATOM 869 O LYS A 54 -4.847 2.282 9.320 1.00 13.14 O ATOM 870 CB LYS A 54 -6.885 0.268 8.314 1.00 62.32 C ATOM 871 CG LYS A 54 -6.466 -1.051 8.875 1.00 23.15 C ATOM 872 CD LYS A 54 -5.520 -0.895 10.042 1.00 31.11 C ATOM 873 CE LYS A 54 -5.521 -2.136 10.852 1.00 34.05 C ATOM 874 NZ LYS A 54 -4.959 -3.310 10.145 1.00 71.11 N ATOM 0 H LYS A 54 -5.224 -0.546 6.319 1.00 71.43 H new ATOM 0 HA LYS A 54 -6.395 1.996 7.168 1.00 44.11 H new ATOM 0 HB2 LYS A 54 -7.213 0.890 9.146 1.00 62.32 H new ATOM 0 HB3 LYS A 54 -7.756 0.095 7.682 1.00 62.32 H new ATOM 0 HG2 LYS A 54 -7.348 -1.605 9.195 1.00 23.15 H new ATOM 0 HG3 LYS A 54 -5.985 -1.640 8.095 1.00 23.15 H new ATOM 0 HD2 LYS A 54 -4.513 -0.685 9.681 1.00 31.11 H new ATOM 0 HD3 LYS A 54 -5.822 -0.047 10.657 1.00 31.11 H new ATOM 0 HE2 LYS A 54 -4.949 -1.964 11.764 1.00 34.05 H new ATOM 0 HE3 LYS A 54 -6.544 -2.361 11.155 1.00 34.05 H new ATOM 0 HZ1 LYS A 54 -5.188 -4.176 10.673 1.00 71.11 H new ATOM 0 HZ2 LYS A 54 -5.367 -3.369 9.190 1.00 71.11 H new ATOM 0 HZ3 LYS A 54 -3.926 -3.211 10.074 1.00 71.11 H new ATOM 888 N LEU A 55 -3.437 1.270 7.857 1.00 41.44 N ATOM 889 CA LEU A 55 -2.213 1.696 8.540 1.00 72.22 C ATOM 890 C LEU A 55 -2.074 3.204 8.557 1.00 41.13 C ATOM 891 O LEU A 55 -2.332 3.876 7.555 1.00 64.52 O ATOM 892 CB LEU A 55 -0.984 1.061 7.905 1.00 72.44 C ATOM 893 CG LEU A 55 -0.732 -0.423 8.205 1.00 43.01 C ATOM 894 CD1 LEU A 55 0.443 -0.916 7.408 1.00 64.43 C ATOM 895 CD2 LEU A 55 -0.437 -0.619 9.679 1.00 11.32 C ATOM 0 H LEU A 55 -3.274 0.705 7.023 1.00 41.44 H new ATOM 0 HA LEU A 55 -2.288 1.355 9.573 1.00 72.22 H new ATOM 0 HB2 LEU A 55 -1.062 1.180 6.824 1.00 72.44 H new ATOM 0 HB3 LEU A 55 -0.108 1.625 8.225 1.00 72.44 H new ATOM 0 HG LEU A 55 -1.626 -0.984 7.934 1.00 43.01 H new ATOM 0 HD11 LEU A 55 0.615 -1.970 7.627 1.00 64.43 H new ATOM 0 HD12 LEU A 55 0.238 -0.795 6.344 1.00 64.43 H new ATOM 0 HD13 LEU A 55 1.330 -0.341 7.674 1.00 64.43 H new ATOM 0 HD21 LEU A 55 -0.260 -1.676 9.877 1.00 11.32 H new ATOM 0 HD22 LEU A 55 0.449 -0.046 9.952 1.00 11.32 H new ATOM 0 HD23 LEU A 55 -1.287 -0.276 10.269 1.00 11.32 H new ATOM 907 N LYS A 56 -1.638 3.720 9.682 1.00 53.21 N ATOM 908 CA LYS A 56 -1.533 5.147 9.902 1.00 62.33 C ATOM 909 C LYS A 56 -0.457 5.783 9.035 1.00 10.42 C ATOM 910 O LYS A 56 -0.657 6.875 8.498 1.00 45.31 O ATOM 911 CB LYS A 56 -1.307 5.454 11.371 1.00 45.04 C ATOM 912 CG LYS A 56 -1.359 6.930 11.682 1.00 34.13 C ATOM 913 CD LYS A 56 -1.169 7.202 13.149 1.00 14.11 C ATOM 914 CE LYS A 56 -2.286 6.595 13.990 1.00 62.21 C ATOM 915 NZ LYS A 56 -2.129 6.911 15.422 1.00 62.12 N ATOM 0 H LYS A 56 -1.343 3.157 10.480 1.00 53.21 H new ATOM 0 HA LYS A 56 -2.483 5.590 9.604 1.00 62.33 H new ATOM 0 HB2 LYS A 56 -2.061 4.937 11.964 1.00 45.04 H new ATOM 0 HB3 LYS A 56 -0.337 5.059 11.674 1.00 45.04 H new ATOM 0 HG2 LYS A 56 -0.586 7.448 11.114 1.00 34.13 H new ATOM 0 HG3 LYS A 56 -2.318 7.335 11.359 1.00 34.13 H new ATOM 0 HD2 LYS A 56 -0.210 6.796 13.472 1.00 14.11 H new ATOM 0 HD3 LYS A 56 -1.133 8.278 13.317 1.00 14.11 H new ATOM 0 HE2 LYS A 56 -3.248 6.968 13.639 1.00 62.21 H new ATOM 0 HE3 LYS A 56 -2.295 5.513 13.856 1.00 62.21 H new ATOM 0 HZ1 LYS A 56 -2.908 6.480 15.960 1.00 62.12 H new ATOM 0 HZ2 LYS A 56 -1.222 6.533 15.763 1.00 62.12 H new ATOM 0 HZ3 LYS A 56 -2.146 7.942 15.554 1.00 62.12 H new ATOM 929 N TRP A 57 0.673 5.099 8.859 1.00 61.45 N ATOM 930 CA TRP A 57 1.718 5.643 8.000 1.00 54.31 C ATOM 931 C TRP A 57 1.270 5.593 6.538 1.00 12.23 C ATOM 932 O TRP A 57 1.769 6.318 5.687 1.00 0.44 O ATOM 933 CB TRP A 57 3.086 4.953 8.201 1.00 72.21 C ATOM 934 CG TRP A 57 3.193 3.524 7.752 1.00 31.55 C ATOM 935 CD1 TRP A 57 2.970 2.392 8.480 1.00 63.04 C ATOM 936 CD2 TRP A 57 3.596 3.085 6.462 1.00 23.21 C ATOM 937 NE1 TRP A 57 3.206 1.297 7.717 1.00 52.14 N ATOM 938 CE2 TRP A 57 3.590 1.693 6.475 1.00 64.12 C ATOM 939 CE3 TRP A 57 3.958 3.748 5.297 1.00 3.13 C ATOM 940 CZ2 TRP A 57 3.936 0.946 5.369 1.00 62.25 C ATOM 941 CZ3 TRP A 57 4.300 3.010 4.197 1.00 74.21 C ATOM 942 CH2 TRP A 57 4.288 1.620 4.240 1.00 43.20 C ATOM 0 H TRP A 57 0.883 4.196 9.285 1.00 61.45 H new ATOM 0 HA TRP A 57 1.870 6.683 8.288 1.00 54.31 H new ATOM 0 HB2 TRP A 57 3.841 5.534 7.671 1.00 72.21 H new ATOM 0 HB3 TRP A 57 3.336 4.996 9.261 1.00 72.21 H new ATOM 0 HD1 TRP A 57 2.652 2.371 9.512 1.00 63.04 H new ATOM 0 HE1 TRP A 57 3.111 0.330 8.026 1.00 52.14 H new ATOM 0 HE3 TRP A 57 3.969 4.827 5.260 1.00 3.13 H new ATOM 0 HZ2 TRP A 57 3.928 -0.134 5.397 1.00 62.25 H new ATOM 0 HZ3 TRP A 57 4.583 3.513 3.284 1.00 74.21 H new ATOM 0 HH2 TRP A 57 4.564 1.062 3.357 1.00 43.20 H new ATOM 953 N ILE A 58 0.321 4.730 6.267 1.00 14.25 N ATOM 954 CA ILE A 58 -0.279 4.640 4.964 1.00 24.21 C ATOM 955 C ILE A 58 -1.275 5.789 4.792 1.00 31.11 C ATOM 956 O ILE A 58 -1.399 6.351 3.713 1.00 21.03 O ATOM 957 CB ILE A 58 -0.960 3.245 4.740 1.00 32.51 C ATOM 958 CG1 ILE A 58 0.091 2.126 4.685 1.00 32.30 C ATOM 959 CG2 ILE A 58 -1.769 3.234 3.479 1.00 63.25 C ATOM 960 CD1 ILE A 58 1.041 2.252 3.509 1.00 63.03 C ATOM 0 H ILE A 58 -0.056 4.070 6.947 1.00 14.25 H new ATOM 0 HA ILE A 58 0.499 4.728 4.205 1.00 24.21 H new ATOM 0 HB ILE A 58 -1.625 3.068 5.585 1.00 32.51 H new ATOM 0 HG12 ILE A 58 0.667 2.132 5.610 1.00 32.30 H new ATOM 0 HG13 ILE A 58 -0.416 1.163 4.632 1.00 32.30 H new ATOM 0 HG21 ILE A 58 -2.229 2.254 3.350 1.00 63.25 H new ATOM 0 HG22 ILE A 58 -2.547 3.995 3.539 1.00 63.25 H new ATOM 0 HG23 ILE A 58 -1.120 3.445 2.629 1.00 63.25 H new ATOM 0 HD11 ILE A 58 1.757 1.430 3.530 1.00 63.03 H new ATOM 0 HD12 ILE A 58 0.475 2.216 2.578 1.00 63.03 H new ATOM 0 HD13 ILE A 58 1.575 3.200 3.572 1.00 63.03 H new ATOM 972 N GLN A 59 -1.940 6.171 5.879 1.00 0.41 N ATOM 973 CA GLN A 59 -2.892 7.279 5.836 1.00 54.13 C ATOM 974 C GLN A 59 -2.190 8.553 5.427 1.00 42.35 C ATOM 975 O GLN A 59 -2.671 9.283 4.562 1.00 21.54 O ATOM 976 CB GLN A 59 -3.606 7.479 7.180 1.00 41.52 C ATOM 977 CG GLN A 59 -4.373 6.264 7.673 1.00 2.13 C ATOM 978 CD GLN A 59 -5.377 5.751 6.666 1.00 52.52 C ATOM 979 OE1 GLN A 59 -6.531 6.167 6.645 1.00 10.51 O ATOM 980 NE2 GLN A 59 -4.949 4.846 5.845 1.00 42.31 N ATOM 0 H GLN A 59 -1.839 5.734 6.795 1.00 0.41 H new ATOM 0 HA GLN A 59 -3.652 7.028 5.096 1.00 54.13 H new ATOM 0 HB2 GLN A 59 -2.867 7.756 7.932 1.00 41.52 H new ATOM 0 HB3 GLN A 59 -4.297 8.317 7.089 1.00 41.52 H new ATOM 0 HG2 GLN A 59 -3.668 5.468 7.912 1.00 2.13 H new ATOM 0 HG3 GLN A 59 -4.891 6.519 8.597 1.00 2.13 H new ATOM 0 HE21 GLN A 59 -3.981 4.528 5.896 1.00 42.31 H new ATOM 0 HE22 GLN A 59 -5.579 4.451 5.147 1.00 42.31 H new ATOM 989 N GLU A 60 -1.020 8.805 6.022 1.00 21.03 N ATOM 990 CA GLU A 60 -0.252 9.979 5.673 1.00 3.11 C ATOM 991 C GLU A 60 0.310 9.841 4.259 1.00 74.10 C ATOM 992 O GLU A 60 0.477 10.830 3.554 1.00 32.51 O ATOM 993 CB GLU A 60 0.870 10.267 6.675 1.00 14.14 C ATOM 994 CG GLU A 60 1.954 9.214 6.745 1.00 40.51 C ATOM 995 CD GLU A 60 3.073 9.595 7.670 1.00 2.43 C ATOM 996 OE1 GLU A 60 3.945 10.406 7.263 1.00 61.41 O ATOM 997 OE2 GLU A 60 3.118 9.091 8.810 1.00 60.03 O ATOM 0 H GLU A 60 -0.598 8.213 6.737 1.00 21.03 H new ATOM 0 HA GLU A 60 -0.931 10.831 5.709 1.00 3.11 H new ATOM 0 HB2 GLU A 60 1.329 11.222 6.419 1.00 14.14 H new ATOM 0 HB3 GLU A 60 0.431 10.380 7.666 1.00 14.14 H new ATOM 0 HG2 GLU A 60 1.518 8.272 7.077 1.00 40.51 H new ATOM 0 HG3 GLU A 60 2.356 9.045 5.746 1.00 40.51 H new ATOM 1004 N TYR A 61 0.587 8.602 3.852 1.00 24.34 N ATOM 1005 CA TYR A 61 1.058 8.325 2.513 1.00 61.12 C ATOM 1006 C TYR A 61 0.053 8.775 1.466 1.00 13.22 C ATOM 1007 O TYR A 61 0.405 9.513 0.546 1.00 45.21 O ATOM 1008 CB TYR A 61 1.411 6.839 2.310 1.00 65.01 C ATOM 1009 CG TYR A 61 1.668 6.509 0.865 1.00 12.21 C ATOM 1010 CD1 TYR A 61 2.843 6.888 0.233 1.00 31.33 C ATOM 1011 CD2 TYR A 61 0.707 5.848 0.125 1.00 65.52 C ATOM 1012 CE1 TYR A 61 3.043 6.616 -1.104 1.00 72.00 C ATOM 1013 CE2 TYR A 61 0.896 5.569 -1.194 1.00 20.10 C ATOM 1014 CZ TYR A 61 2.066 5.955 -1.811 1.00 53.22 C ATOM 1015 OH TYR A 61 2.250 5.685 -3.143 1.00 32.55 O ATOM 0 H TYR A 61 0.489 7.776 4.442 1.00 24.34 H new ATOM 0 HA TYR A 61 1.974 8.901 2.386 1.00 61.12 H new ATOM 0 HB2 TYR A 61 2.294 6.593 2.900 1.00 65.01 H new ATOM 0 HB3 TYR A 61 0.596 6.219 2.683 1.00 65.01 H new ATOM 0 HD1 TYR A 61 3.610 7.402 0.794 1.00 31.33 H new ATOM 0 HD2 TYR A 61 -0.213 5.546 0.603 1.00 65.52 H new ATOM 0 HE1 TYR A 61 3.958 6.919 -1.591 1.00 72.00 H new ATOM 0 HE2 TYR A 61 0.133 5.048 -1.754 1.00 20.10 H new ATOM 0 HH TYR A 61 1.466 5.212 -3.492 1.00 32.55 H new ATOM 1025 N LEU A 62 -1.195 8.334 1.585 1.00 4.32 N ATOM 1026 CA LEU A 62 -2.182 8.743 0.608 1.00 60.11 C ATOM 1027 C LEU A 62 -2.566 10.183 0.794 1.00 4.43 C ATOM 1028 O LEU A 62 -2.966 10.838 -0.149 1.00 2.02 O ATOM 1029 CB LEU A 62 -3.416 7.837 0.494 1.00 40.13 C ATOM 1030 CG LEU A 62 -3.154 6.377 0.090 1.00 63.31 C ATOM 1031 CD1 LEU A 62 -2.969 5.497 1.284 1.00 1.45 C ATOM 1032 CD2 LEU A 62 -4.224 5.850 -0.848 1.00 54.13 C ATOM 0 H LEU A 62 -1.534 7.716 2.322 1.00 4.32 H new ATOM 0 HA LEU A 62 -1.681 8.629 -0.353 1.00 60.11 H new ATOM 0 HB2 LEU A 62 -3.932 7.839 1.454 1.00 40.13 H new ATOM 0 HB3 LEU A 62 -4.097 8.277 -0.235 1.00 40.13 H new ATOM 0 HG LEU A 62 -2.215 6.360 -0.464 1.00 63.31 H new ATOM 0 HD11 LEU A 62 -2.786 4.473 0.957 1.00 1.45 H new ATOM 0 HD12 LEU A 62 -2.118 5.849 1.867 1.00 1.45 H new ATOM 0 HD13 LEU A 62 -3.868 5.526 1.900 1.00 1.45 H new ATOM 0 HD21 LEU A 62 -4.001 4.815 -1.109 1.00 54.13 H new ATOM 0 HD22 LEU A 62 -5.195 5.899 -0.356 1.00 54.13 H new ATOM 0 HD23 LEU A 62 -4.245 6.456 -1.754 1.00 54.13 H new ATOM 1044 N GLU A 63 -2.456 10.675 2.017 1.00 44.11 N ATOM 1045 CA GLU A 63 -2.645 12.087 2.289 1.00 32.42 C ATOM 1046 C GLU A 63 -1.661 12.869 1.400 1.00 12.42 C ATOM 1047 O GLU A 63 -2.041 13.798 0.673 1.00 41.30 O ATOM 1048 CB GLU A 63 -2.358 12.344 3.771 1.00 43.44 C ATOM 1049 CG GLU A 63 -2.556 13.762 4.235 1.00 32.14 C ATOM 1050 CD GLU A 63 -2.277 13.917 5.714 1.00 52.13 C ATOM 1051 OE1 GLU A 63 -3.177 13.621 6.529 1.00 45.50 O ATOM 1052 OE2 GLU A 63 -1.157 14.336 6.090 1.00 11.15 O ATOM 0 H GLU A 63 -2.236 10.113 2.839 1.00 44.11 H new ATOM 0 HA GLU A 63 -3.665 12.404 2.073 1.00 32.42 H new ATOM 0 HB2 GLU A 63 -3.000 11.693 4.365 1.00 43.44 H new ATOM 0 HB3 GLU A 63 -1.328 12.053 3.979 1.00 43.44 H new ATOM 0 HG2 GLU A 63 -1.899 14.424 3.671 1.00 32.14 H new ATOM 0 HG3 GLU A 63 -3.579 14.073 4.024 1.00 32.14 H new ATOM 1059 N LYS A 64 -0.417 12.435 1.438 1.00 71.31 N ATOM 1060 CA LYS A 64 0.655 12.987 0.634 1.00 12.41 C ATOM 1061 C LYS A 64 0.386 12.813 -0.860 1.00 2.33 C ATOM 1062 O LYS A 64 0.157 13.781 -1.566 1.00 10.33 O ATOM 1063 CB LYS A 64 1.964 12.284 0.983 1.00 13.01 C ATOM 1064 CG LYS A 64 3.169 12.640 0.114 1.00 75.24 C ATOM 1065 CD LYS A 64 3.876 13.971 0.490 1.00 2.33 C ATOM 1066 CE LYS A 64 3.021 15.219 0.269 1.00 72.20 C ATOM 1067 NZ LYS A 64 3.766 16.453 0.588 1.00 24.20 N ATOM 0 H LYS A 64 -0.116 11.671 2.043 1.00 71.31 H new ATOM 0 HA LYS A 64 0.720 14.053 0.851 1.00 12.41 H new ATOM 0 HB2 LYS A 64 2.210 12.511 2.020 1.00 13.01 H new ATOM 0 HB3 LYS A 64 1.803 11.208 0.922 1.00 13.01 H new ATOM 0 HG2 LYS A 64 3.895 11.830 0.176 1.00 75.24 H new ATOM 0 HG3 LYS A 64 2.845 12.699 -0.925 1.00 75.24 H new ATOM 0 HD2 LYS A 64 4.173 13.928 1.538 1.00 2.33 H new ATOM 0 HD3 LYS A 64 4.790 14.062 -0.097 1.00 2.33 H new ATOM 0 HE2 LYS A 64 2.687 15.253 -0.768 1.00 72.20 H new ATOM 0 HE3 LYS A 64 2.127 15.163 0.890 1.00 72.20 H new ATOM 0 HZ1 LYS A 64 3.155 17.279 0.426 1.00 24.20 H new ATOM 0 HZ2 LYS A 64 4.063 16.432 1.585 1.00 24.20 H new ATOM 0 HZ3 LYS A 64 4.606 16.519 -0.022 1.00 24.20 H new ATOM 1081 N ALA A 65 0.413 11.570 -1.304 1.00 1.01 N ATOM 1082 CA ALA A 65 0.264 11.204 -2.722 1.00 31.43 C ATOM 1083 C ALA A 65 -1.008 11.745 -3.375 1.00 34.15 C ATOM 1084 O ALA A 65 -1.008 12.039 -4.571 1.00 1.23 O ATOM 1085 CB ALA A 65 0.317 9.697 -2.886 1.00 54.34 C ATOM 0 H ALA A 65 0.540 10.766 -0.690 1.00 1.01 H new ATOM 0 HA ALA A 65 1.101 11.675 -3.237 1.00 31.43 H new ATOM 0 HB1 ALA A 65 0.205 9.442 -3.940 1.00 54.34 H new ATOM 0 HB2 ALA A 65 1.275 9.325 -2.522 1.00 54.34 H new ATOM 0 HB3 ALA A 65 -0.491 9.240 -2.314 1.00 54.34 H new ATOM 1091 N LEU A 66 -2.080 11.876 -2.621 1.00 61.43 N ATOM 1092 CA LEU A 66 -3.306 12.392 -3.200 1.00 21.01 C ATOM 1093 C LEU A 66 -3.364 13.915 -3.136 1.00 73.35 C ATOM 1094 O LEU A 66 -4.020 14.547 -3.970 1.00 2.52 O ATOM 1095 CB LEU A 66 -4.555 11.756 -2.582 1.00 14.11 C ATOM 1096 CG LEU A 66 -4.694 10.234 -2.755 1.00 62.13 C ATOM 1097 CD1 LEU A 66 -5.949 9.732 -2.075 1.00 25.13 C ATOM 1098 CD2 LEU A 66 -4.703 9.850 -4.231 1.00 2.02 C ATOM 0 H LEU A 66 -2.130 11.639 -1.630 1.00 61.43 H new ATOM 0 HA LEU A 66 -3.296 12.108 -4.252 1.00 21.01 H new ATOM 0 HB2 LEU A 66 -4.564 11.983 -1.516 1.00 14.11 H new ATOM 0 HB3 LEU A 66 -5.434 12.233 -3.016 1.00 14.11 H new ATOM 0 HG LEU A 66 -3.831 9.763 -2.285 1.00 62.13 H new ATOM 0 HD11 LEU A 66 -6.029 8.653 -2.209 1.00 25.13 H new ATOM 0 HD12 LEU A 66 -5.903 9.963 -1.011 1.00 25.13 H new ATOM 0 HD13 LEU A 66 -6.820 10.218 -2.515 1.00 25.13 H new ATOM 0 HD21 LEU A 66 -4.802 8.769 -4.325 1.00 2.02 H new ATOM 0 HD22 LEU A 66 -5.542 10.336 -4.728 1.00 2.02 H new ATOM 0 HD23 LEU A 66 -3.771 10.171 -4.696 1.00 2.02 H new ATOM 1110 N ASN A 67 -2.702 14.518 -2.143 1.00 2.24 N ATOM 1111 CA ASN A 67 -2.630 15.986 -2.087 1.00 72.55 C ATOM 1112 C ASN A 67 -1.669 16.472 -3.170 1.00 73.22 C ATOM 1113 O ASN A 67 -1.853 17.543 -3.749 1.00 61.13 O ATOM 1114 CB ASN A 67 -2.146 16.469 -0.715 1.00 12.24 C ATOM 1115 CG ASN A 67 -2.158 17.988 -0.565 1.00 3.10 C ATOM 1116 OD1 ASN A 67 -2.989 18.681 -1.151 1.00 54.32 O ATOM 1117 ND2 ASN A 67 -1.247 18.510 0.212 1.00 22.44 N ATOM 0 H ASN A 67 -2.221 14.032 -1.387 1.00 2.24 H new ATOM 0 HA ASN A 67 -3.628 16.392 -2.252 1.00 72.55 H new ATOM 0 HB2 ASN A 67 -2.776 16.030 0.059 1.00 12.24 H new ATOM 0 HB3 ASN A 67 -1.133 16.103 -0.546 1.00 12.24 H new ATOM 0 HD21 ASN A 67 -1.210 19.520 0.347 1.00 22.44 H new ATOM 0 HD22 ASN A 67 -0.573 17.907 0.683 1.00 22.44 H new ATOM 1124 N LYS A 68 -0.667 15.647 -3.433 1.00 1.20 N ATOM 1125 CA LYS A 68 0.369 15.870 -4.434 1.00 34.14 C ATOM 1126 C LYS A 68 -0.226 16.168 -5.815 1.00 14.13 C ATOM 1127 O LYS A 68 -0.664 15.223 -6.507 1.00 36.51 O ATOM 1128 CB LYS A 68 1.273 14.637 -4.493 1.00 53.14 C ATOM 1129 CG LYS A 68 2.400 14.711 -5.502 1.00 60.21 C ATOM 1130 CD LYS A 68 3.240 13.461 -5.430 1.00 53.12 C ATOM 1131 CE LYS A 68 4.348 13.453 -6.473 1.00 33.31 C ATOM 1132 NZ LYS A 68 3.812 13.508 -7.853 1.00 74.22 N ATOM 1133 OXT LYS A 68 -0.238 17.349 -6.223 1.00 36.51 O ATOM 0 H LYS A 68 -0.547 14.765 -2.934 1.00 1.20 H new ATOM 0 HA LYS A 68 0.951 16.745 -4.145 1.00 34.14 H new ATOM 0 HB2 LYS A 68 1.702 14.473 -3.504 1.00 53.14 H new ATOM 0 HB3 LYS A 68 0.658 13.766 -4.722 1.00 53.14 H new ATOM 0 HG2 LYS A 68 1.993 14.828 -6.506 1.00 60.21 H new ATOM 0 HG3 LYS A 68 3.019 15.587 -5.305 1.00 60.21 H new ATOM 0 HD2 LYS A 68 3.679 13.377 -4.436 1.00 53.12 H new ATOM 0 HD3 LYS A 68 2.603 12.588 -5.572 1.00 53.12 H new ATOM 0 HE2 LYS A 68 5.009 14.304 -6.307 1.00 33.31 H new ATOM 0 HE3 LYS A 68 4.951 12.553 -6.354 1.00 33.31 H new ATOM 0 HZ1 LYS A 68 4.565 13.264 -8.528 1.00 74.22 H new ATOM 0 HZ2 LYS A 68 3.029 12.831 -7.948 1.00 74.22 H new ATOM 0 HZ3 LYS A 68 3.466 14.468 -8.053 1.00 74.22 H new TER 1147 LYS A 68