USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=9 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 -100:sc= 0.258 USER MOD Set 1.2: A 37 GLN : amide:sc= 1.92 K(o=2.2,f=-5.2!) USER MOD Set 2.1: A 4 SER OG : rot -95:sc= 0.662 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0.594 USER MOD Single : A 1 LYS N :NH3+ -169:sc= -0.018 (180deg=-0.149) USER MOD Single : A 1 LYS NZ :NH3+ -173:sc=-0.00698 (180deg=-0.0948) 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 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.39) 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=-0.027) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0676 X(o=-0.068,f=-0.089) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.112 K(o=-0.11,f=-3.3!) USER MOD Single : A 45 ASN : amide:sc= -1.59! C(o=-1.6!,f=-3!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.28) 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= -0.425 X(o=-0.42,f=-0.28) 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 X(o=0,f=-0.02) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= -1.86! (180deg=-3.23!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.925 -19.379 -5.421 1.00 75.32 N ATOM 2 CA LYS A 1 10.564 -19.360 -4.888 1.00 51.15 C ATOM 3 C LYS A 1 9.575 -19.206 -6.029 1.00 22.52 C ATOM 4 O LYS A 1 9.495 -18.141 -6.634 1.00 42.14 O ATOM 5 CB LYS A 1 10.385 -18.188 -3.908 1.00 10.10 C ATOM 6 CG LYS A 1 11.286 -18.197 -2.735 1.00 33.33 C ATOM 7 CD LYS A 1 11.040 -16.958 -1.926 1.00 65.12 C ATOM 8 CE LYS A 1 12.029 -16.841 -0.827 1.00 61.23 C ATOM 9 NZ LYS A 1 11.922 -17.935 0.159 1.00 45.41 N ATOM 0 H1 LYS A 1 12.587 -19.669 -4.673 1.00 75.32 H new ATOM 0 H2 LYS A 1 11.979 -20.053 -6.211 1.00 75.32 H new ATOM 0 H3 LYS A 1 12.179 -18.429 -5.759 1.00 75.32 H new ATOM 0 HA LYS A 1 10.384 -20.297 -4.360 1.00 51.15 H new ATOM 0 HB2 LYS A 1 10.535 -17.256 -4.452 1.00 10.10 H new ATOM 0 HB3 LYS A 1 9.354 -18.188 -3.553 1.00 10.10 H new ATOM 0 HG2 LYS A 1 11.107 -19.085 -2.129 1.00 33.33 H new ATOM 0 HG3 LYS A 1 12.326 -18.236 -3.059 1.00 33.33 H new ATOM 0 HD2 LYS A 1 11.099 -16.080 -2.570 1.00 65.12 H new ATOM 0 HD3 LYS A 1 10.032 -16.982 -1.513 1.00 65.12 H new ATOM 0 HE2 LYS A 1 13.034 -16.835 -1.248 1.00 61.23 H new ATOM 0 HE3 LYS A 1 11.890 -15.886 -0.320 1.00 61.23 H new ATOM 0 HZ1 LYS A 1 12.552 -17.741 0.963 1.00 45.41 H new ATOM 0 HZ2 LYS A 1 10.941 -18.003 0.497 1.00 45.41 H new ATOM 0 HZ3 LYS A 1 12.197 -18.833 -0.288 1.00 45.41 H new ATOM 23 N PRO A 2 8.830 -20.264 -6.365 1.00 62.33 N ATOM 24 CA PRO A 2 7.837 -20.211 -7.419 1.00 13.31 C ATOM 25 C PRO A 2 6.538 -19.587 -6.919 1.00 70.01 C ATOM 26 O PRO A 2 5.860 -20.145 -6.048 1.00 34.20 O ATOM 27 CB PRO A 2 7.603 -21.684 -7.799 1.00 11.55 C ATOM 28 CG PRO A 2 8.470 -22.496 -6.876 1.00 43.20 C ATOM 29 CD PRO A 2 8.894 -21.594 -5.757 1.00 21.51 C ATOM 0 HA PRO A 2 8.168 -19.602 -8.260 1.00 13.31 H new ATOM 0 HB2 PRO A 2 6.553 -21.954 -7.685 1.00 11.55 H new ATOM 0 HB3 PRO A 2 7.867 -21.864 -8.841 1.00 11.55 H new ATOM 0 HG2 PRO A 2 7.922 -23.356 -6.490 1.00 43.20 H new ATOM 0 HG3 PRO A 2 9.339 -22.884 -7.407 1.00 43.20 H new ATOM 0 HD2 PRO A 2 8.229 -21.677 -4.897 1.00 21.51 H new ATOM 0 HD3 PRO A 2 9.899 -21.830 -5.407 1.00 21.51 H new ATOM 37 N VAL A 3 6.210 -18.431 -7.428 1.00 41.12 N ATOM 38 CA VAL A 3 4.987 -17.767 -7.039 1.00 34.01 C ATOM 39 C VAL A 3 3.902 -18.014 -8.078 1.00 21.04 C ATOM 40 O VAL A 3 4.186 -18.098 -9.276 1.00 55.13 O ATOM 41 CB VAL A 3 5.183 -16.234 -6.803 1.00 31.31 C ATOM 42 CG1 VAL A 3 6.176 -15.991 -5.673 1.00 1.05 C ATOM 43 CG2 VAL A 3 5.642 -15.522 -8.072 1.00 24.14 C ATOM 0 H VAL A 3 6.770 -17.925 -8.114 1.00 41.12 H new ATOM 0 HA VAL A 3 4.678 -18.194 -6.085 1.00 34.01 H new ATOM 0 HB VAL A 3 4.215 -15.819 -6.521 1.00 31.31 H new ATOM 0 HG11 VAL A 3 6.300 -14.919 -5.522 1.00 1.05 H new ATOM 0 HG12 VAL A 3 5.802 -16.445 -4.756 1.00 1.05 H new ATOM 0 HG13 VAL A 3 7.137 -16.435 -5.932 1.00 1.05 H new ATOM 0 HG21 VAL A 3 5.767 -14.459 -7.868 1.00 24.14 H new ATOM 0 HG22 VAL A 3 6.592 -15.942 -8.402 1.00 24.14 H new ATOM 0 HG23 VAL A 3 4.895 -15.656 -8.855 1.00 24.14 H new ATOM 53 N SER A 4 2.691 -18.167 -7.628 1.00 52.44 N ATOM 54 CA SER A 4 1.585 -18.389 -8.516 1.00 64.11 C ATOM 55 C SER A 4 0.464 -17.432 -8.163 1.00 72.40 C ATOM 56 O SER A 4 0.012 -17.380 -7.003 1.00 75.32 O ATOM 57 CB SER A 4 1.108 -19.855 -8.428 1.00 61.15 C ATOM 58 OG SER A 4 0.038 -20.116 -9.333 1.00 51.34 O ATOM 0 H SER A 4 2.441 -18.142 -6.639 1.00 52.44 H new ATOM 0 HA SER A 4 1.900 -18.204 -9.543 1.00 64.11 H new ATOM 0 HB2 SER A 4 1.941 -20.523 -8.647 1.00 61.15 H new ATOM 0 HB3 SER A 4 0.785 -20.072 -7.410 1.00 61.15 H new ATOM 0 HG SER A 4 -0.818 -20.014 -8.866 1.00 51.34 H new ATOM 64 N LEU A 5 0.031 -16.663 -9.129 1.00 71.43 N ATOM 65 CA LEU A 5 -1.037 -15.732 -8.914 1.00 52.54 C ATOM 66 C LEU A 5 -2.340 -16.486 -9.132 1.00 74.54 C ATOM 67 O LEU A 5 -2.842 -16.592 -10.241 1.00 42.43 O ATOM 68 CB LEU A 5 -0.876 -14.488 -9.850 1.00 31.02 C ATOM 69 CG LEU A 5 -1.781 -13.232 -9.617 1.00 23.32 C ATOM 70 CD1 LEU A 5 -3.245 -13.486 -9.920 1.00 24.03 C ATOM 71 CD2 LEU A 5 -1.613 -12.699 -8.199 1.00 41.43 C ATOM 0 H LEU A 5 0.407 -16.667 -10.077 1.00 71.43 H new ATOM 0 HA LEU A 5 -1.027 -15.333 -7.900 1.00 52.54 H new ATOM 0 HB2 LEU A 5 0.162 -14.161 -9.785 1.00 31.02 H new ATOM 0 HB3 LEU A 5 -1.040 -14.825 -10.874 1.00 31.02 H new ATOM 0 HG LEU A 5 -1.443 -12.476 -10.326 1.00 23.32 H new ATOM 0 HD11 LEU A 5 -3.817 -12.576 -9.738 1.00 24.03 H new ATOM 0 HD12 LEU A 5 -3.355 -13.781 -10.963 1.00 24.03 H new ATOM 0 HD13 LEU A 5 -3.617 -14.283 -9.276 1.00 24.03 H new ATOM 0 HD21 LEU A 5 -2.251 -11.826 -8.060 1.00 41.43 H new ATOM 0 HD22 LEU A 5 -1.895 -13.472 -7.484 1.00 41.43 H new ATOM 0 HD23 LEU A 5 -0.573 -12.417 -8.037 1.00 41.43 H new ATOM 83 N SER A 6 -2.815 -17.083 -8.072 1.00 4.24 N ATOM 84 CA SER A 6 -4.015 -17.884 -8.101 1.00 73.11 C ATOM 85 C SER A 6 -5.145 -17.166 -7.379 1.00 35.24 C ATOM 86 O SER A 6 -6.160 -17.762 -7.012 1.00 52.00 O ATOM 87 CB SER A 6 -3.711 -19.230 -7.447 1.00 60.10 C ATOM 88 OG SER A 6 -2.611 -19.852 -8.109 1.00 12.51 O ATOM 0 H SER A 6 -2.377 -17.028 -7.153 1.00 4.24 H new ATOM 0 HA SER A 6 -4.336 -18.046 -9.130 1.00 73.11 H new ATOM 0 HB2 SER A 6 -3.479 -19.088 -6.392 1.00 60.10 H new ATOM 0 HB3 SER A 6 -4.588 -19.875 -7.496 1.00 60.10 H new ATOM 0 HG SER A 6 -2.419 -20.714 -7.685 1.00 12.51 H new ATOM 94 N TYR A 7 -4.974 -15.886 -7.207 1.00 24.42 N ATOM 95 CA TYR A 7 -5.954 -15.070 -6.552 1.00 42.14 C ATOM 96 C TYR A 7 -6.715 -14.303 -7.614 1.00 25.03 C ATOM 97 O TYR A 7 -6.165 -14.015 -8.670 1.00 2.13 O ATOM 98 CB TYR A 7 -5.271 -14.080 -5.609 1.00 2.35 C ATOM 99 CG TYR A 7 -4.391 -14.703 -4.549 1.00 14.35 C ATOM 100 CD1 TYR A 7 -4.938 -15.239 -3.401 1.00 44.24 C ATOM 101 CD2 TYR A 7 -3.007 -14.747 -4.698 1.00 23.24 C ATOM 102 CE1 TYR A 7 -4.148 -15.803 -2.425 1.00 4.31 C ATOM 103 CE2 TYR A 7 -2.203 -15.309 -3.725 1.00 10.51 C ATOM 104 CZ TYR A 7 -2.780 -15.837 -2.590 1.00 40.41 C ATOM 105 OH TYR A 7 -1.989 -16.408 -1.615 1.00 21.04 O ATOM 0 H TYR A 7 -4.147 -15.378 -7.519 1.00 24.42 H new ATOM 0 HA TYR A 7 -6.629 -15.698 -5.971 1.00 42.14 H new ATOM 0 HB2 TYR A 7 -4.667 -13.395 -6.203 1.00 2.35 H new ATOM 0 HB3 TYR A 7 -6.039 -13.483 -5.116 1.00 2.35 H new ATOM 0 HD1 TYR A 7 -6.009 -15.215 -3.265 1.00 44.24 H new ATOM 0 HD2 TYR A 7 -2.555 -14.335 -5.588 1.00 23.24 H new ATOM 0 HE1 TYR A 7 -4.598 -16.217 -1.535 1.00 4.31 H new ATOM 0 HE2 TYR A 7 -1.131 -15.334 -3.853 1.00 10.51 H new ATOM 0 HH TYR A 7 -1.048 -16.353 -1.883 1.00 21.04 H new ATOM 115 N ARG A 8 -7.964 -13.975 -7.356 1.00 11.01 N ATOM 116 CA ARG A 8 -8.744 -13.185 -8.321 1.00 2.20 C ATOM 117 C ARG A 8 -8.386 -11.719 -8.173 1.00 42.13 C ATOM 118 O ARG A 8 -8.677 -10.893 -9.038 1.00 21.10 O ATOM 119 CB ARG A 8 -10.242 -13.358 -8.100 1.00 73.33 C ATOM 120 CG ARG A 8 -10.726 -12.843 -6.756 1.00 11.21 C ATOM 121 CD ARG A 8 -12.226 -13.041 -6.592 1.00 51.43 C ATOM 122 NE ARG A 8 -12.615 -14.450 -6.792 1.00 33.44 N ATOM 123 CZ ARG A 8 -13.568 -15.101 -6.115 1.00 12.41 C ATOM 124 NH1 ARG A 8 -14.218 -14.505 -5.123 1.00 71.41 N ATOM 125 NH2 ARG A 8 -13.859 -16.355 -6.437 1.00 22.03 N ATOM 0 H ARG A 8 -8.465 -14.232 -6.505 1.00 11.01 H new ATOM 0 HA ARG A 8 -8.502 -13.538 -9.324 1.00 2.20 H new ATOM 0 HB2 ARG A 8 -10.779 -12.838 -8.893 1.00 73.33 H new ATOM 0 HB3 ARG A 8 -10.493 -14.415 -8.185 1.00 73.33 H new ATOM 0 HG2 ARG A 8 -10.199 -13.362 -5.955 1.00 11.21 H new ATOM 0 HG3 ARG A 8 -10.485 -11.784 -6.662 1.00 11.21 H new ATOM 0 HD2 ARG A 8 -12.529 -12.718 -5.596 1.00 51.43 H new ATOM 0 HD3 ARG A 8 -12.757 -12.412 -7.307 1.00 51.43 H new ATOM 0 HE ARG A 8 -12.113 -14.974 -7.509 1.00 33.44 H new ATOM 0 HH11 ARG A 8 -13.993 -13.543 -4.871 1.00 71.41 H new ATOM 0 HH12 ARG A 8 -14.943 -15.009 -4.613 1.00 71.41 H new ATOM 0 HH21 ARG A 8 -13.357 -16.816 -7.196 1.00 22.03 H new ATOM 0 HH22 ARG A 8 -14.584 -16.858 -5.925 1.00 22.03 H new ATOM 139 N CYS A 9 -7.779 -11.417 -7.066 1.00 53.13 N ATOM 140 CA CYS A 9 -7.358 -10.101 -6.755 1.00 2.21 C ATOM 141 C CYS A 9 -5.913 -10.142 -6.335 1.00 2.04 C ATOM 142 O CYS A 9 -5.500 -11.076 -5.655 1.00 31.15 O ATOM 143 CB CYS A 9 -8.242 -9.482 -5.669 1.00 53.30 C ATOM 144 SG CYS A 9 -9.986 -9.295 -6.176 1.00 1.22 S ATOM 0 H CYS A 9 -7.561 -12.101 -6.342 1.00 53.13 H new ATOM 0 HA CYS A 9 -7.456 -9.468 -7.637 1.00 2.21 H new ATOM 0 HB2 CYS A 9 -8.196 -10.103 -4.775 1.00 53.30 H new ATOM 0 HB3 CYS A 9 -7.843 -8.504 -5.399 1.00 53.30 H new ATOM 149 N PRO A 10 -5.141 -9.152 -6.792 1.00 74.33 N ATOM 150 CA PRO A 10 -3.692 -9.005 -6.555 1.00 3.12 C ATOM 151 C PRO A 10 -3.159 -9.547 -5.217 1.00 14.32 C ATOM 152 O PRO A 10 -2.134 -10.241 -5.193 1.00 10.14 O ATOM 153 CB PRO A 10 -3.508 -7.503 -6.639 1.00 12.21 C ATOM 154 CG PRO A 10 -4.490 -7.080 -7.680 1.00 25.14 C ATOM 155 CD PRO A 10 -5.643 -8.058 -7.620 1.00 12.43 C ATOM 0 HA PRO A 10 -3.126 -9.598 -7.274 1.00 3.12 H new ATOM 0 HB2 PRO A 10 -3.708 -7.022 -5.682 1.00 12.21 H new ATOM 0 HB3 PRO A 10 -2.488 -7.240 -6.921 1.00 12.21 H new ATOM 0 HG2 PRO A 10 -4.836 -6.063 -7.494 1.00 25.14 H new ATOM 0 HG3 PRO A 10 -4.031 -7.085 -8.669 1.00 25.14 H new ATOM 0 HD2 PRO A 10 -6.530 -7.601 -7.182 1.00 12.43 H new ATOM 0 HD3 PRO A 10 -5.922 -8.407 -8.614 1.00 12.43 H new ATOM 163 N CYS A 11 -3.819 -9.242 -4.117 1.00 24.44 N ATOM 164 CA CYS A 11 -3.346 -9.717 -2.849 1.00 61.44 C ATOM 165 C CYS A 11 -4.505 -9.963 -1.887 1.00 35.23 C ATOM 166 O CYS A 11 -5.591 -9.434 -2.074 1.00 21.12 O ATOM 167 CB CYS A 11 -2.365 -8.715 -2.243 1.00 50.21 C ATOM 168 SG CYS A 11 -1.476 -9.379 -0.796 1.00 33.22 S ATOM 0 H CYS A 11 -4.668 -8.678 -4.083 1.00 24.44 H new ATOM 0 HA CYS A 11 -2.833 -10.665 -3.013 1.00 61.44 H new ATOM 0 HB2 CYS A 11 -1.642 -8.418 -3.002 1.00 50.21 H new ATOM 0 HB3 CYS A 11 -2.907 -7.816 -1.949 1.00 50.21 H new ATOM 173 N ARG A 12 -4.266 -10.785 -0.869 1.00 54.33 N ATOM 174 CA ARG A 12 -5.272 -11.063 0.154 1.00 53.32 C ATOM 175 C ARG A 12 -4.715 -10.909 1.565 1.00 13.52 C ATOM 176 O ARG A 12 -5.431 -10.518 2.474 1.00 32.02 O ATOM 177 CB ARG A 12 -5.916 -12.441 -0.019 1.00 52.13 C ATOM 178 CG ARG A 12 -6.784 -12.573 -1.260 1.00 12.32 C ATOM 179 CD ARG A 12 -7.447 -13.934 -1.326 1.00 54.55 C ATOM 180 NE ARG A 12 -8.303 -14.190 -0.159 1.00 52.32 N ATOM 181 CZ ARG A 12 -9.086 -15.268 0.005 1.00 22.52 C ATOM 182 NH1 ARG A 12 -9.147 -16.216 -0.931 1.00 24.15 N ATOM 183 NH2 ARG A 12 -9.804 -15.391 1.107 1.00 44.40 N ATOM 0 H ARG A 12 -3.381 -11.272 -0.730 1.00 54.33 H new ATOM 0 HA ARG A 12 -6.051 -10.313 0.016 1.00 53.32 H new ATOM 0 HB2 ARG A 12 -5.130 -13.195 -0.058 1.00 52.13 H new ATOM 0 HB3 ARG A 12 -6.523 -12.659 0.860 1.00 52.13 H new ATOM 0 HG2 ARG A 12 -7.547 -11.794 -1.257 1.00 12.32 H new ATOM 0 HG3 ARG A 12 -6.175 -12.419 -2.151 1.00 12.32 H new ATOM 0 HD2 ARG A 12 -8.045 -14.002 -2.235 1.00 54.55 H new ATOM 0 HD3 ARG A 12 -6.681 -14.707 -1.390 1.00 54.55 H new ATOM 0 HE ARG A 12 -8.302 -13.493 0.586 1.00 52.32 H new ATOM 0 HH11 ARG A 12 -8.595 -16.127 -1.784 1.00 24.15 H new ATOM 0 HH12 ARG A 12 -9.746 -17.030 -0.794 1.00 24.15 H new ATOM 0 HH21 ARG A 12 -9.761 -14.669 1.827 1.00 44.40 H new ATOM 0 HH22 ARG A 12 -10.401 -16.207 1.238 1.00 44.40 H new ATOM 197 N PHE A 13 -3.444 -11.216 1.745 1.00 35.43 N ATOM 198 CA PHE A 13 -2.824 -11.086 3.056 1.00 2.11 C ATOM 199 C PHE A 13 -1.989 -9.823 3.079 1.00 22.12 C ATOM 200 O PHE A 13 -1.114 -9.649 2.244 1.00 13.43 O ATOM 201 CB PHE A 13 -1.932 -12.304 3.346 1.00 2.33 C ATOM 202 CG PHE A 13 -2.657 -13.620 3.291 1.00 0.40 C ATOM 203 CD1 PHE A 13 -2.756 -14.318 2.095 1.00 12.02 C ATOM 204 CD2 PHE A 13 -3.242 -14.155 4.425 1.00 12.23 C ATOM 205 CE1 PHE A 13 -3.422 -15.520 2.034 1.00 61.22 C ATOM 206 CE2 PHE A 13 -3.912 -15.361 4.372 1.00 23.44 C ATOM 207 CZ PHE A 13 -4.003 -16.044 3.174 1.00 33.42 C ATOM 0 H PHE A 13 -2.823 -11.554 1.010 1.00 35.43 H new ATOM 0 HA PHE A 13 -3.599 -11.034 3.821 1.00 2.11 H new ATOM 0 HB2 PHE A 13 -1.113 -12.321 2.626 1.00 2.33 H new ATOM 0 HB3 PHE A 13 -1.486 -12.188 4.334 1.00 2.33 H new ATOM 0 HD1 PHE A 13 -2.305 -13.912 1.202 1.00 12.02 H new ATOM 0 HD2 PHE A 13 -3.174 -13.623 5.362 1.00 12.23 H new ATOM 0 HE1 PHE A 13 -3.491 -16.053 1.097 1.00 61.22 H new ATOM 0 HE2 PHE A 13 -4.364 -15.769 5.264 1.00 23.44 H new ATOM 0 HZ PHE A 13 -4.528 -16.987 3.128 1.00 33.42 H new ATOM 217 N PHE A 14 -2.240 -8.964 4.024 1.00 73.41 N ATOM 218 CA PHE A 14 -1.551 -7.687 4.091 1.00 52.15 C ATOM 219 C PHE A 14 -0.932 -7.541 5.458 1.00 53.15 C ATOM 220 O PHE A 14 -1.443 -8.094 6.437 1.00 55.41 O ATOM 221 CB PHE A 14 -2.547 -6.537 3.903 1.00 41.32 C ATOM 222 CG PHE A 14 -3.478 -6.640 2.713 1.00 51.23 C ATOM 223 CD1 PHE A 14 -3.093 -6.216 1.455 1.00 10.44 C ATOM 224 CD2 PHE A 14 -4.753 -7.144 2.876 1.00 13.31 C ATOM 225 CE1 PHE A 14 -3.960 -6.298 0.388 1.00 61.22 C ATOM 226 CE2 PHE A 14 -5.623 -7.232 1.817 1.00 14.12 C ATOM 227 CZ PHE A 14 -5.229 -6.807 0.569 1.00 64.15 C ATOM 0 H PHE A 14 -2.920 -9.117 4.769 1.00 73.41 H new ATOM 0 HA PHE A 14 -0.794 -7.653 3.308 1.00 52.15 H new ATOM 0 HB2 PHE A 14 -3.153 -6.459 4.805 1.00 41.32 H new ATOM 0 HB3 PHE A 14 -1.984 -5.608 3.817 1.00 41.32 H new ATOM 0 HD1 PHE A 14 -2.101 -5.816 1.307 1.00 10.44 H new ATOM 0 HD2 PHE A 14 -5.072 -7.475 3.853 1.00 13.31 H new ATOM 0 HE1 PHE A 14 -3.646 -5.964 -0.590 1.00 61.22 H new ATOM 0 HE2 PHE A 14 -6.615 -7.634 1.963 1.00 14.12 H new ATOM 0 HZ PHE A 14 -5.911 -6.872 -0.266 1.00 64.15 H new ATOM 237 N GLU A 15 0.159 -6.839 5.542 1.00 51.02 N ATOM 238 CA GLU A 15 0.752 -6.560 6.803 1.00 44.04 C ATOM 239 C GLU A 15 0.136 -5.346 7.466 1.00 2.25 C ATOM 240 O GLU A 15 -0.023 -4.290 6.843 1.00 11.10 O ATOM 241 CB GLU A 15 2.270 -6.481 6.755 1.00 41.43 C ATOM 242 CG GLU A 15 2.923 -7.822 6.688 1.00 41.02 C ATOM 243 CD GLU A 15 4.400 -7.781 6.932 1.00 24.13 C ATOM 244 OE1 GLU A 15 4.814 -7.397 8.058 1.00 0.35 O ATOM 245 OE2 GLU A 15 5.170 -8.178 6.053 1.00 2.05 O ATOM 0 H GLU A 15 0.655 -6.449 4.741 1.00 51.02 H new ATOM 0 HA GLU A 15 0.524 -7.420 7.432 1.00 44.04 H new ATOM 0 HB2 GLU A 15 2.570 -5.893 5.888 1.00 41.43 H new ATOM 0 HB3 GLU A 15 2.629 -5.952 7.638 1.00 41.43 H new ATOM 0 HG2 GLU A 15 2.460 -8.480 7.423 1.00 41.02 H new ATOM 0 HG3 GLU A 15 2.737 -8.259 5.707 1.00 41.02 H new ATOM 252 N SER A 16 -0.223 -5.512 8.719 1.00 70.35 N ATOM 253 CA SER A 16 -0.857 -4.471 9.494 1.00 62.14 C ATOM 254 C SER A 16 0.095 -3.902 10.551 1.00 12.13 C ATOM 255 O SER A 16 -0.321 -3.150 11.429 1.00 30.42 O ATOM 256 CB SER A 16 -2.109 -5.033 10.164 1.00 14.43 C ATOM 257 OG SER A 16 -3.034 -5.498 9.196 1.00 31.11 O ATOM 0 H SER A 16 -0.082 -6.382 9.233 1.00 70.35 H new ATOM 0 HA SER A 16 -1.130 -3.657 8.822 1.00 62.14 H new ATOM 0 HB2 SER A 16 -1.834 -5.849 10.832 1.00 14.43 H new ATOM 0 HB3 SER A 16 -2.575 -4.262 10.778 1.00 14.43 H new ATOM 0 HG SER A 16 -3.827 -5.855 9.647 1.00 31.11 H new ATOM 263 N HIS A 17 1.358 -4.262 10.476 1.00 24.12 N ATOM 264 CA HIS A 17 2.353 -3.751 11.426 1.00 33.02 C ATOM 265 C HIS A 17 3.613 -3.350 10.692 1.00 23.22 C ATOM 266 O HIS A 17 4.712 -3.447 11.228 1.00 1.44 O ATOM 267 CB HIS A 17 2.696 -4.802 12.502 1.00 11.24 C ATOM 268 CG HIS A 17 1.540 -5.214 13.352 1.00 63.14 C ATOM 269 ND1 HIS A 17 1.172 -4.552 14.502 1.00 34.25 N ATOM 270 CD2 HIS A 17 0.655 -6.224 13.206 1.00 72.15 C ATOM 271 CE1 HIS A 17 0.115 -5.136 15.020 1.00 31.42 C ATOM 272 NE2 HIS A 17 -0.215 -6.148 14.251 1.00 3.22 N ATOM 0 H HIS A 17 1.730 -4.903 9.775 1.00 24.12 H new ATOM 0 HA HIS A 17 1.923 -2.881 11.922 1.00 33.02 H new ATOM 0 HB2 HIS A 17 3.104 -5.686 12.012 1.00 11.24 H new ATOM 0 HB3 HIS A 17 3.480 -4.403 13.145 1.00 11.24 H new ATOM 0 HD2 HIS A 17 0.640 -6.954 12.410 1.00 72.15 H new ATOM 0 HE1 HIS A 17 -0.395 -4.835 15.923 1.00 31.42 H new ATOM 0 HE2 HIS A 17 -1.000 -6.779 14.411 1.00 3.22 H new ATOM 281 N VAL A 18 3.445 -2.850 9.487 1.00 75.11 N ATOM 282 CA VAL A 18 4.574 -2.477 8.640 1.00 12.31 C ATOM 283 C VAL A 18 5.245 -1.180 9.164 1.00 13.31 C ATOM 284 O VAL A 18 4.598 -0.374 9.835 1.00 53.21 O ATOM 285 CB VAL A 18 4.126 -2.286 7.165 1.00 11.23 C ATOM 286 CG1 VAL A 18 5.320 -2.068 6.230 1.00 71.04 C ATOM 287 CG2 VAL A 18 3.303 -3.462 6.696 1.00 73.43 C ATOM 0 H VAL A 18 2.532 -2.689 9.062 1.00 75.11 H new ATOM 0 HA VAL A 18 5.300 -3.289 8.677 1.00 12.31 H new ATOM 0 HB VAL A 18 3.508 -1.389 7.131 1.00 11.23 H new ATOM 0 HG11 VAL A 18 4.963 -1.939 5.208 1.00 71.04 H new ATOM 0 HG12 VAL A 18 5.866 -1.177 6.539 1.00 71.04 H new ATOM 0 HG13 VAL A 18 5.981 -2.933 6.277 1.00 71.04 H new ATOM 0 HG21 VAL A 18 3.001 -3.305 5.660 1.00 73.43 H new ATOM 0 HG22 VAL A 18 3.897 -4.373 6.767 1.00 73.43 H new ATOM 0 HG23 VAL A 18 2.416 -3.558 7.322 1.00 73.43 H new ATOM 297 N ALA A 19 6.527 -1.008 8.876 1.00 64.01 N ATOM 298 CA ALA A 19 7.277 0.163 9.292 1.00 13.13 C ATOM 299 C ALA A 19 7.654 1.021 8.078 1.00 75.12 C ATOM 300 O ALA A 19 8.111 0.500 7.051 1.00 71.12 O ATOM 301 CB ALA A 19 8.524 -0.268 10.048 1.00 3.03 C ATOM 0 H ALA A 19 7.077 -1.682 8.344 1.00 64.01 H new ATOM 0 HA ALA A 19 6.653 0.766 9.952 1.00 13.13 H new ATOM 0 HB1 ALA A 19 9.084 0.614 10.359 1.00 3.03 H new ATOM 0 HB2 ALA A 19 8.235 -0.843 10.928 1.00 3.03 H new ATOM 0 HB3 ALA A 19 9.147 -0.884 9.400 1.00 3.03 H new ATOM 307 N ARG A 20 7.478 2.327 8.204 1.00 14.43 N ATOM 308 CA ARG A 20 7.744 3.279 7.118 1.00 43.42 C ATOM 309 C ARG A 20 9.234 3.353 6.746 1.00 43.22 C ATOM 310 O ARG A 20 9.584 3.549 5.576 1.00 60.05 O ATOM 311 CB ARG A 20 7.190 4.675 7.486 1.00 70.23 C ATOM 312 CG ARG A 20 7.459 5.781 6.467 1.00 5.24 C ATOM 313 CD ARG A 20 6.913 5.416 5.106 1.00 73.42 C ATOM 314 NE ARG A 20 7.099 6.468 4.122 1.00 63.32 N ATOM 315 CZ ARG A 20 7.227 6.267 2.804 1.00 61.24 C ATOM 316 NH1 ARG A 20 7.303 5.028 2.310 1.00 1.42 N ATOM 317 NH2 ARG A 20 7.290 7.292 1.988 1.00 4.21 N ATOM 0 H ARG A 20 7.146 2.766 9.063 1.00 14.43 H new ATOM 0 HA ARG A 20 7.226 2.914 6.231 1.00 43.42 H new ATOM 0 HB2 ARG A 20 6.113 4.592 7.630 1.00 70.23 H new ATOM 0 HB3 ARG A 20 7.617 4.975 8.443 1.00 70.23 H new ATOM 0 HG2 ARG A 20 7.003 6.711 6.807 1.00 5.24 H new ATOM 0 HG3 ARG A 20 8.532 5.960 6.395 1.00 5.24 H new ATOM 0 HD2 ARG A 20 7.402 4.507 4.756 1.00 73.42 H new ATOM 0 HD3 ARG A 20 5.850 5.192 5.195 1.00 73.42 H new ATOM 0 HE ARG A 20 7.135 7.430 4.459 1.00 63.32 H new ATOM 0 HH11 ARG A 20 7.264 4.225 2.938 1.00 1.42 H new ATOM 0 HH12 ARG A 20 7.400 4.885 1.305 1.00 1.42 H new ATOM 0 HH21 ARG A 20 7.242 8.242 2.357 1.00 4.21 H new ATOM 0 HH22 ARG A 20 7.388 7.139 0.984 1.00 4.21 H new ATOM 331 N ALA A 21 10.095 3.178 7.713 1.00 24.32 N ATOM 332 CA ALA A 21 11.528 3.258 7.465 1.00 4.04 C ATOM 333 C ALA A 21 12.080 1.946 6.909 1.00 1.33 C ATOM 334 O ALA A 21 13.225 1.879 6.465 1.00 50.45 O ATOM 335 CB ALA A 21 12.266 3.659 8.732 1.00 22.30 C ATOM 0 H ALA A 21 9.840 2.979 8.680 1.00 24.32 H new ATOM 0 HA ALA A 21 11.690 4.026 6.709 1.00 4.04 H new ATOM 0 HB1 ALA A 21 13.335 3.714 8.528 1.00 22.30 H new ATOM 0 HB2 ALA A 21 11.910 4.633 9.068 1.00 22.30 H new ATOM 0 HB3 ALA A 21 12.082 2.918 9.510 1.00 22.30 H new ATOM 341 N ASN A 22 11.260 0.910 6.921 1.00 42.42 N ATOM 342 CA ASN A 22 11.696 -0.405 6.460 1.00 62.31 C ATOM 343 C ASN A 22 11.204 -0.668 5.040 1.00 62.12 C ATOM 344 O ASN A 22 11.625 -1.601 4.403 1.00 13.32 O ATOM 345 CB ASN A 22 11.181 -1.506 7.414 1.00 71.14 C ATOM 346 CG ASN A 22 11.692 -2.922 7.089 1.00 61.14 C ATOM 347 OD1 ASN A 22 12.810 -3.114 6.573 1.00 52.33 O ATOM 348 ND2 ASN A 22 10.884 -3.912 7.380 1.00 35.33 N ATOM 0 H ASN A 22 10.293 0.949 7.242 1.00 42.42 H new ATOM 0 HA ASN A 22 12.786 -0.423 6.457 1.00 62.31 H new ATOM 0 HB2 ASN A 22 11.474 -1.253 8.433 1.00 71.14 H new ATOM 0 HB3 ASN A 22 10.091 -1.512 7.388 1.00 71.14 H new ATOM 0 HD21 ASN A 22 11.164 -4.873 7.185 1.00 35.33 H new ATOM 0 HD22 ASN A 22 9.975 -3.721 7.802 1.00 35.33 H new ATOM 355 N VAL A 23 10.331 0.169 4.540 1.00 55.00 N ATOM 356 CA VAL A 23 9.777 -0.044 3.213 1.00 11.04 C ATOM 357 C VAL A 23 10.494 0.817 2.152 1.00 25.44 C ATOM 358 O VAL A 23 10.715 2.015 2.356 1.00 5.13 O ATOM 359 CB VAL A 23 8.237 0.196 3.189 1.00 4.20 C ATOM 360 CG1 VAL A 23 7.877 1.624 3.566 1.00 75.02 C ATOM 361 CG2 VAL A 23 7.648 -0.177 1.848 1.00 22.24 C ATOM 0 H VAL A 23 9.986 1.000 5.021 1.00 55.00 H new ATOM 0 HA VAL A 23 9.950 -1.089 2.957 1.00 11.04 H new ATOM 0 HB VAL A 23 7.799 -0.456 3.945 1.00 4.20 H new ATOM 0 HG11 VAL A 23 6.794 1.746 3.536 1.00 75.02 H new ATOM 0 HG12 VAL A 23 8.239 1.837 4.572 1.00 75.02 H new ATOM 0 HG13 VAL A 23 8.340 2.314 2.861 1.00 75.02 H new ATOM 0 HG21 VAL A 23 6.573 0.001 1.861 1.00 22.24 H new ATOM 0 HG22 VAL A 23 8.107 0.430 1.068 1.00 22.24 H new ATOM 0 HG23 VAL A 23 7.839 -1.231 1.647 1.00 22.24 H new ATOM 371 N LYS A 24 10.874 0.192 1.039 1.00 15.34 N ATOM 372 CA LYS A 24 11.566 0.892 -0.041 1.00 54.31 C ATOM 373 C LYS A 24 10.590 1.469 -1.031 1.00 55.42 C ATOM 374 O LYS A 24 10.792 2.554 -1.567 1.00 52.25 O ATOM 375 CB LYS A 24 12.521 -0.038 -0.832 1.00 54.42 C ATOM 376 CG LYS A 24 11.829 -1.218 -1.523 1.00 14.42 C ATOM 377 CD LYS A 24 12.641 -1.800 -2.668 1.00 35.11 C ATOM 378 CE LYS A 24 12.862 -0.755 -3.751 1.00 54.54 C ATOM 379 NZ LYS A 24 13.548 -1.310 -4.939 1.00 42.40 N ATOM 0 H LYS A 24 10.714 -0.800 0.862 1.00 15.34 H new ATOM 0 HA LYS A 24 12.140 1.681 0.445 1.00 54.31 H new ATOM 0 HB2 LYS A 24 13.042 0.553 -1.585 1.00 54.42 H new ATOM 0 HB3 LYS A 24 13.278 -0.425 -0.150 1.00 54.42 H new ATOM 0 HG2 LYS A 24 11.637 -2.000 -0.788 1.00 14.42 H new ATOM 0 HG3 LYS A 24 10.860 -0.892 -1.902 1.00 14.42 H new ATOM 0 HD2 LYS A 24 13.602 -2.155 -2.296 1.00 35.11 H new ATOM 0 HD3 LYS A 24 12.123 -2.662 -3.087 1.00 35.11 H new ATOM 0 HE2 LYS A 24 11.901 -0.338 -4.052 1.00 54.54 H new ATOM 0 HE3 LYS A 24 13.452 0.066 -3.345 1.00 54.54 H new ATOM 0 HZ1 LYS A 24 13.676 -0.560 -5.648 1.00 42.40 H new ATOM 0 HZ2 LYS A 24 14.477 -1.684 -4.660 1.00 42.40 H new ATOM 0 HZ3 LYS A 24 12.974 -2.076 -5.345 1.00 42.40 H new ATOM 393 N HIS A 25 9.536 0.748 -1.269 1.00 4.43 N ATOM 394 CA HIS A 25 8.656 1.056 -2.349 1.00 4.33 C ATOM 395 C HIS A 25 7.323 0.414 -2.159 1.00 32.04 C ATOM 396 O HIS A 25 7.241 -0.787 -1.914 1.00 32.13 O ATOM 397 CB HIS A 25 9.309 0.538 -3.639 1.00 42.41 C ATOM 398 CG HIS A 25 8.453 0.564 -4.860 1.00 24.31 C ATOM 399 ND1 HIS A 25 7.809 1.684 -5.336 1.00 3.45 N ATOM 400 CD2 HIS A 25 8.105 -0.435 -5.666 1.00 75.33 C ATOM 401 CE1 HIS A 25 7.092 1.354 -6.388 1.00 24.31 C ATOM 402 NE2 HIS A 25 7.255 0.070 -6.611 1.00 11.33 N ATOM 0 H HIS A 25 9.265 -0.068 -0.720 1.00 4.43 H new ATOM 0 HA HIS A 25 8.494 2.133 -2.398 1.00 4.33 H new ATOM 0 HB2 HIS A 25 10.203 1.130 -3.833 1.00 42.41 H new ATOM 0 HB3 HIS A 25 9.637 -0.488 -3.471 1.00 42.41 H new ATOM 0 HD2 HIS A 25 8.434 -1.461 -5.588 1.00 75.33 H new ATOM 0 HE1 HIS A 25 6.475 2.024 -6.969 1.00 24.31 H new ATOM 0 HE2 HIS A 25 6.820 -0.462 -7.364 1.00 11.33 H new ATOM 411 N LEU A 26 6.294 1.204 -2.279 1.00 1.42 N ATOM 412 CA LEU A 26 4.958 0.710 -2.232 1.00 42.44 C ATOM 413 C LEU A 26 4.404 0.725 -3.635 1.00 30.42 C ATOM 414 O LEU A 26 4.485 1.732 -4.334 1.00 74.33 O ATOM 415 CB LEU A 26 4.045 1.564 -1.319 1.00 13.35 C ATOM 416 CG LEU A 26 4.399 1.666 0.181 1.00 5.13 C ATOM 417 CD1 LEU A 26 5.665 2.470 0.425 1.00 50.25 C ATOM 418 CD2 LEU A 26 3.242 2.250 0.950 1.00 34.23 C ATOM 0 H LEU A 26 6.365 2.213 -2.413 1.00 1.42 H new ATOM 0 HA LEU A 26 4.980 -0.298 -1.818 1.00 42.44 H new ATOM 0 HB2 LEU A 26 4.022 2.575 -1.725 1.00 13.35 H new ATOM 0 HB3 LEU A 26 3.033 1.167 -1.395 1.00 13.35 H new ATOM 0 HG LEU A 26 4.594 0.655 0.538 1.00 5.13 H new ATOM 0 HD11 LEU A 26 5.869 2.511 1.495 1.00 50.25 H new ATOM 0 HD12 LEU A 26 6.502 1.995 -0.086 1.00 50.25 H new ATOM 0 HD13 LEU A 26 5.533 3.482 0.041 1.00 50.25 H new ATOM 0 HD21 LEU A 26 3.504 2.317 2.006 1.00 34.23 H new ATOM 0 HD22 LEU A 26 3.017 3.246 0.568 1.00 34.23 H new ATOM 0 HD23 LEU A 26 2.367 1.610 0.833 1.00 34.23 H new ATOM 430 N LYS A 27 3.876 -0.366 -4.039 1.00 24.41 N ATOM 431 CA LYS A 27 3.266 -0.507 -5.319 1.00 74.33 C ATOM 432 C LYS A 27 1.822 -0.838 -5.056 1.00 63.43 C ATOM 433 O LYS A 27 1.492 -1.976 -4.725 1.00 64.44 O ATOM 434 CB LYS A 27 3.923 -1.660 -6.077 1.00 15.41 C ATOM 435 CG LYS A 27 3.482 -1.807 -7.521 1.00 64.01 C ATOM 436 CD LYS A 27 4.054 -3.062 -8.169 1.00 72.45 C ATOM 437 CE LYS A 27 3.522 -4.328 -7.502 1.00 14.14 C ATOM 438 NZ LYS A 27 4.035 -5.551 -8.147 1.00 3.14 N ATOM 0 H LYS A 27 3.851 -1.217 -3.477 1.00 24.41 H new ATOM 0 HA LYS A 27 3.371 0.399 -5.916 1.00 74.33 H new ATOM 0 HB2 LYS A 27 5.004 -1.521 -6.055 1.00 15.41 H new ATOM 0 HB3 LYS A 27 3.710 -2.590 -5.550 1.00 15.41 H new ATOM 0 HG2 LYS A 27 2.393 -1.840 -7.566 1.00 64.01 H new ATOM 0 HG3 LYS A 27 3.798 -0.931 -8.087 1.00 64.01 H new ATOM 0 HD2 LYS A 27 3.800 -3.074 -9.229 1.00 72.45 H new ATOM 0 HD3 LYS A 27 5.142 -3.044 -8.102 1.00 72.45 H new ATOM 0 HE2 LYS A 27 3.804 -4.328 -6.449 1.00 14.14 H new ATOM 0 HE3 LYS A 27 2.433 -4.328 -7.541 1.00 14.14 H new ATOM 0 HZ1 LYS A 27 3.649 -6.387 -7.663 1.00 3.14 H new ATOM 0 HZ2 LYS A 27 3.745 -5.565 -9.146 1.00 3.14 H new ATOM 0 HZ3 LYS A 27 5.073 -5.565 -8.088 1.00 3.14 H new ATOM 452 N ILE A 28 0.979 0.133 -5.121 1.00 12.52 N ATOM 453 CA ILE A 28 -0.391 -0.097 -4.780 1.00 72.32 C ATOM 454 C ILE A 28 -1.200 -0.372 -6.039 1.00 71.55 C ATOM 455 O ILE A 28 -1.236 0.444 -6.970 1.00 22.53 O ATOM 456 CB ILE A 28 -0.996 1.076 -3.985 1.00 11.13 C ATOM 457 CG1 ILE A 28 -0.070 1.445 -2.822 1.00 52.12 C ATOM 458 CG2 ILE A 28 -2.356 0.667 -3.441 1.00 14.24 C ATOM 459 CD1 ILE A 28 -0.589 2.548 -1.918 1.00 22.41 C ATOM 0 H ILE A 28 1.205 1.087 -5.404 1.00 12.52 H new ATOM 0 HA ILE A 28 -0.430 -0.972 -4.131 1.00 72.32 H new ATOM 0 HB ILE A 28 -1.108 1.939 -4.642 1.00 11.13 H new ATOM 0 HG12 ILE A 28 0.106 0.554 -2.220 1.00 52.12 H new ATOM 0 HG13 ILE A 28 0.894 1.751 -3.227 1.00 52.12 H new ATOM 0 HG21 ILE A 28 -2.787 1.495 -2.878 1.00 14.24 H new ATOM 0 HG22 ILE A 28 -3.016 0.409 -4.269 1.00 14.24 H new ATOM 0 HG23 ILE A 28 -2.241 -0.196 -2.786 1.00 14.24 H new ATOM 0 HD11 ILE A 28 0.134 2.739 -1.125 1.00 22.41 H new ATOM 0 HD12 ILE A 28 -0.737 3.457 -2.501 1.00 22.41 H new ATOM 0 HD13 ILE A 28 -1.538 2.241 -1.478 1.00 22.41 H new ATOM 471 N LEU A 29 -1.821 -1.509 -6.067 1.00 10.24 N ATOM 472 CA LEU A 29 -2.570 -1.954 -7.203 1.00 63.30 C ATOM 473 C LEU A 29 -4.052 -1.923 -6.884 1.00 11.35 C ATOM 474 O LEU A 29 -4.517 -2.604 -5.970 1.00 43.24 O ATOM 475 CB LEU A 29 -2.110 -3.364 -7.584 1.00 14.50 C ATOM 476 CG LEU A 29 -2.728 -3.982 -8.843 1.00 52.22 C ATOM 477 CD1 LEU A 29 -2.646 -3.014 -10.016 1.00 43.42 C ATOM 478 CD2 LEU A 29 -1.975 -5.246 -9.195 1.00 70.33 C ATOM 0 H LEU A 29 -1.823 -2.167 -5.288 1.00 10.24 H new ATOM 0 HA LEU A 29 -2.397 -1.292 -8.051 1.00 63.30 H new ATOM 0 HB2 LEU A 29 -1.028 -3.344 -7.713 1.00 14.50 H new ATOM 0 HB3 LEU A 29 -2.319 -4.027 -6.744 1.00 14.50 H new ATOM 0 HG LEU A 29 -3.776 -4.205 -8.644 1.00 52.22 H new ATOM 0 HD11 LEU A 29 -3.090 -3.474 -10.899 1.00 43.42 H new ATOM 0 HD12 LEU A 29 -3.187 -2.100 -9.772 1.00 43.42 H new ATOM 0 HD13 LEU A 29 -1.602 -2.775 -10.218 1.00 43.42 H new ATOM 0 HD21 LEU A 29 -2.410 -5.691 -10.090 1.00 70.33 H new ATOM 0 HD22 LEU A 29 -0.928 -5.006 -9.381 1.00 70.33 H new ATOM 0 HD23 LEU A 29 -2.044 -5.953 -8.368 1.00 70.33 H new ATOM 490 N ASN A 30 -4.781 -1.127 -7.622 1.00 53.14 N ATOM 491 CA ASN A 30 -6.196 -0.962 -7.384 1.00 14.11 C ATOM 492 C ASN A 30 -7.045 -1.882 -8.237 1.00 3.13 C ATOM 493 O ASN A 30 -6.918 -1.920 -9.468 1.00 22.41 O ATOM 494 CB ASN A 30 -6.630 0.516 -7.505 1.00 41.14 C ATOM 495 CG ASN A 30 -6.257 1.174 -8.820 1.00 51.13 C ATOM 496 OD1 ASN A 30 -5.163 1.734 -8.951 1.00 3.04 O ATOM 497 ND2 ASN A 30 -7.147 1.150 -9.776 1.00 3.35 N ATOM 0 H ASN A 30 -4.417 -0.577 -8.400 1.00 53.14 H new ATOM 0 HA ASN A 30 -6.373 -1.263 -6.351 1.00 14.11 H new ATOM 0 HB2 ASN A 30 -7.711 0.576 -7.377 1.00 41.14 H new ATOM 0 HB3 ASN A 30 -6.180 1.082 -6.689 1.00 41.14 H new ATOM 0 HD21 ASN A 30 -6.950 1.604 -10.668 1.00 3.35 H new ATOM 0 HD22 ASN A 30 -8.039 0.678 -9.630 1.00 3.35 H new ATOM 504 N THR A 31 -7.871 -2.656 -7.572 1.00 50.32 N ATOM 505 CA THR A 31 -8.799 -3.550 -8.201 1.00 11.13 C ATOM 506 C THR A 31 -10.218 -3.025 -7.899 1.00 62.13 C ATOM 507 O THR A 31 -10.458 -2.538 -6.801 1.00 4.40 O ATOM 508 CB THR A 31 -8.618 -4.965 -7.599 1.00 35.00 C ATOM 509 OG1 THR A 31 -7.247 -5.341 -7.709 1.00 22.31 O ATOM 510 CG2 THR A 31 -9.456 -5.997 -8.322 1.00 62.14 C ATOM 0 H THR A 31 -7.913 -2.677 -6.553 1.00 50.32 H new ATOM 0 HA THR A 31 -8.635 -3.602 -9.277 1.00 11.13 H new ATOM 0 HB THR A 31 -8.939 -4.930 -6.558 1.00 35.00 H new ATOM 0 HG1 THR A 31 -7.132 -5.937 -8.478 1.00 22.31 H new ATOM 0 HG21 THR A 31 -9.299 -6.976 -7.868 1.00 62.14 H new ATOM 0 HG22 THR A 31 -10.509 -5.727 -8.248 1.00 62.14 H new ATOM 0 HG23 THR A 31 -9.164 -6.033 -9.371 1.00 62.14 H new ATOM 518 N PRO A 32 -11.149 -3.076 -8.873 1.00 54.33 N ATOM 519 CA PRO A 32 -12.527 -2.569 -8.715 1.00 71.34 C ATOM 520 C PRO A 32 -13.229 -2.967 -7.394 1.00 5.43 C ATOM 521 O PRO A 32 -13.719 -2.107 -6.673 1.00 45.52 O ATOM 522 CB PRO A 32 -13.280 -3.158 -9.925 1.00 53.24 C ATOM 523 CG PRO A 32 -12.299 -4.049 -10.629 1.00 4.45 C ATOM 524 CD PRO A 32 -10.938 -3.587 -10.230 1.00 75.02 C ATOM 0 HA PRO A 32 -12.517 -1.480 -8.673 1.00 71.34 H new ATOM 0 HB2 PRO A 32 -14.156 -3.720 -9.603 1.00 53.24 H new ATOM 0 HB3 PRO A 32 -13.634 -2.368 -10.587 1.00 53.24 H new ATOM 0 HG2 PRO A 32 -12.452 -5.091 -10.348 1.00 4.45 H new ATOM 0 HG3 PRO A 32 -12.427 -3.988 -11.710 1.00 4.45 H new ATOM 0 HD2 PRO A 32 -10.214 -4.402 -10.247 1.00 75.02 H new ATOM 0 HD3 PRO A 32 -10.562 -2.813 -10.899 1.00 75.02 H new ATOM 532 N ASN A 33 -13.245 -4.246 -7.068 1.00 21.32 N ATOM 533 CA ASN A 33 -13.995 -4.711 -5.898 1.00 22.13 C ATOM 534 C ASN A 33 -13.087 -4.950 -4.717 1.00 41.04 C ATOM 535 O ASN A 33 -13.442 -4.655 -3.581 1.00 33.21 O ATOM 536 CB ASN A 33 -14.816 -5.983 -6.200 1.00 50.31 C ATOM 537 CG ASN A 33 -15.880 -5.786 -7.277 1.00 14.11 C ATOM 538 OD1 ASN A 33 -17.015 -5.419 -6.991 1.00 62.21 O ATOM 539 ND2 ASN A 33 -15.531 -6.047 -8.514 1.00 24.34 N ATOM 0 H ASN A 33 -12.757 -4.979 -7.583 1.00 21.32 H new ATOM 0 HA ASN A 33 -14.693 -3.913 -5.645 1.00 22.13 H new ATOM 0 HB2 ASN A 33 -14.138 -6.777 -6.513 1.00 50.31 H new ATOM 0 HB3 ASN A 33 -15.299 -6.320 -5.282 1.00 50.31 H new ATOM 0 HD21 ASN A 33 -16.211 -5.946 -9.268 1.00 24.34 H new ATOM 0 HD22 ASN A 33 -14.580 -6.351 -8.722 1.00 24.34 H new ATOM 546 N CYS A 34 -11.894 -5.456 -4.983 1.00 34.13 N ATOM 547 CA CYS A 34 -10.945 -5.756 -3.912 1.00 25.00 C ATOM 548 C CYS A 34 -10.174 -4.530 -3.473 1.00 71.04 C ATOM 549 O CYS A 34 -9.316 -4.613 -2.592 1.00 3.15 O ATOM 550 CB CYS A 34 -10.012 -6.896 -4.303 1.00 71.15 C ATOM 551 SG CYS A 34 -10.884 -8.479 -4.562 1.00 2.43 S ATOM 0 H CYS A 34 -11.557 -5.668 -5.922 1.00 34.13 H new ATOM 0 HA CYS A 34 -11.527 -6.085 -3.051 1.00 25.00 H new ATOM 0 HB2 CYS A 34 -9.482 -6.626 -5.216 1.00 71.15 H new ATOM 0 HB3 CYS A 34 -9.260 -7.025 -3.524 1.00 71.15 H new ATOM 556 N ALA A 35 -10.495 -3.390 -4.105 1.00 25.40 N ATOM 557 CA ALA A 35 -9.940 -2.091 -3.763 1.00 41.21 C ATOM 558 C ALA A 35 -8.438 -2.033 -4.003 1.00 11.54 C ATOM 559 O ALA A 35 -7.880 -2.857 -4.753 1.00 21.13 O ATOM 560 CB ALA A 35 -10.287 -1.765 -2.334 1.00 13.00 C ATOM 0 H ALA A 35 -11.159 -3.355 -4.879 1.00 25.40 H new ATOM 0 HA ALA A 35 -10.381 -1.339 -4.417 1.00 41.21 H new ATOM 0 HB1 ALA A 35 -9.873 -0.791 -2.072 1.00 13.00 H new ATOM 0 HB2 ALA A 35 -11.371 -1.741 -2.219 1.00 13.00 H new ATOM 0 HB3 ALA A 35 -9.869 -2.526 -1.675 1.00 13.00 H new ATOM 566 N LEU A 36 -7.792 -1.050 -3.426 1.00 73.51 N ATOM 567 CA LEU A 36 -6.389 -0.907 -3.580 1.00 54.04 C ATOM 568 C LEU A 36 -5.579 -1.789 -2.642 1.00 1.42 C ATOM 569 O LEU A 36 -5.724 -1.755 -1.426 1.00 4.22 O ATOM 570 CB LEU A 36 -5.941 0.567 -3.667 1.00 31.00 C ATOM 571 CG LEU A 36 -6.385 1.557 -2.584 1.00 74.24 C ATOM 572 CD1 LEU A 36 -5.718 1.291 -1.252 1.00 55.22 C ATOM 573 CD2 LEU A 36 -6.116 2.961 -3.052 1.00 71.34 C ATOM 0 H LEU A 36 -8.232 -0.338 -2.843 1.00 73.51 H new ATOM 0 HA LEU A 36 -6.145 -1.311 -4.563 1.00 54.04 H new ATOM 0 HB2 LEU A 36 -4.851 0.576 -3.691 1.00 31.00 H new ATOM 0 HB3 LEU A 36 -6.284 0.956 -4.626 1.00 31.00 H new ATOM 0 HG LEU A 36 -7.455 1.425 -2.422 1.00 74.24 H new ATOM 0 HD11 LEU A 36 -6.066 2.019 -0.519 1.00 55.22 H new ATOM 0 HD12 LEU A 36 -5.970 0.286 -0.913 1.00 55.22 H new ATOM 0 HD13 LEU A 36 -4.637 1.376 -1.363 1.00 55.22 H new ATOM 0 HD21 LEU A 36 -6.431 3.667 -2.284 1.00 71.34 H new ATOM 0 HD22 LEU A 36 -5.050 3.083 -3.242 1.00 71.34 H new ATOM 0 HD23 LEU A 36 -6.672 3.151 -3.970 1.00 71.34 H new ATOM 585 N GLN A 37 -4.771 -2.604 -3.247 1.00 64.14 N ATOM 586 CA GLN A 37 -3.919 -3.544 -2.580 1.00 25.51 C ATOM 587 C GLN A 37 -2.512 -3.066 -2.675 1.00 1.42 C ATOM 588 O GLN A 37 -2.014 -2.790 -3.757 1.00 3.24 O ATOM 589 CB GLN A 37 -4.087 -4.889 -3.248 1.00 61.30 C ATOM 590 CG GLN A 37 -5.452 -5.465 -2.996 1.00 23.24 C ATOM 591 CD GLN A 37 -6.003 -6.199 -4.160 1.00 25.45 C ATOM 592 OE1 GLN A 37 -5.822 -7.394 -4.321 1.00 3.44 O ATOM 593 NE2 GLN A 37 -6.682 -5.478 -4.979 1.00 62.44 N ATOM 0 H GLN A 37 -4.682 -2.635 -4.263 1.00 64.14 H new ATOM 0 HA GLN A 37 -4.179 -3.638 -1.526 1.00 25.51 H new ATOM 0 HB2 GLN A 37 -3.928 -4.785 -4.321 1.00 61.30 H new ATOM 0 HB3 GLN A 37 -3.327 -5.577 -2.878 1.00 61.30 H new ATOM 0 HG2 GLN A 37 -5.402 -6.139 -2.141 1.00 23.24 H new ATOM 0 HG3 GLN A 37 -6.135 -4.659 -2.727 1.00 23.24 H new ATOM 0 HE21 GLN A 37 -6.805 -4.481 -4.800 1.00 62.44 H new ATOM 0 HE22 GLN A 37 -7.098 -5.902 -5.808 1.00 62.44 H new ATOM 602 N ILE A 38 -1.870 -2.975 -1.576 1.00 52.53 N ATOM 603 CA ILE A 38 -0.566 -2.405 -1.527 1.00 14.31 C ATOM 604 C ILE A 38 0.454 -3.497 -1.507 1.00 4.00 C ATOM 605 O ILE A 38 0.408 -4.354 -0.662 1.00 15.14 O ATOM 606 CB ILE A 38 -0.416 -1.599 -0.241 1.00 52.12 C ATOM 607 CG1 ILE A 38 -1.526 -0.565 -0.125 1.00 4.13 C ATOM 608 CG2 ILE A 38 0.974 -0.942 -0.155 1.00 74.24 C ATOM 609 CD1 ILE A 38 -1.543 0.138 1.189 1.00 64.12 C ATOM 0 H ILE A 38 -2.228 -3.293 -0.676 1.00 52.53 H new ATOM 0 HA ILE A 38 -0.423 -1.766 -2.399 1.00 14.31 H new ATOM 0 HB ILE A 38 -0.505 -2.284 0.602 1.00 52.12 H new ATOM 0 HG12 ILE A 38 -1.412 0.171 -0.921 1.00 4.13 H new ATOM 0 HG13 ILE A 38 -2.487 -1.055 -0.279 1.00 4.13 H new ATOM 0 HG21 ILE A 38 1.051 -0.374 0.772 1.00 74.24 H new ATOM 0 HG22 ILE A 38 1.743 -1.714 -0.173 1.00 74.24 H new ATOM 0 HG23 ILE A 38 1.113 -0.272 -1.003 1.00 74.24 H new ATOM 0 HD11 ILE A 38 -2.358 0.861 1.204 1.00 64.12 H new ATOM 0 HD12 ILE A 38 -1.687 -0.589 1.989 1.00 64.12 H new ATOM 0 HD13 ILE A 38 -0.596 0.656 1.337 1.00 64.12 H new ATOM 621 N VAL A 39 1.337 -3.482 -2.449 1.00 32.12 N ATOM 622 CA VAL A 39 2.437 -4.423 -2.478 1.00 24.53 C ATOM 623 C VAL A 39 3.707 -3.644 -2.254 1.00 43.23 C ATOM 624 O VAL A 39 4.042 -2.773 -3.026 1.00 12.13 O ATOM 625 CB VAL A 39 2.515 -5.161 -3.839 1.00 4.14 C ATOM 626 CG1 VAL A 39 3.708 -6.102 -3.894 1.00 23.15 C ATOM 627 CG2 VAL A 39 1.220 -5.906 -4.132 1.00 51.33 C ATOM 0 H VAL A 39 1.328 -2.822 -3.227 1.00 32.12 H new ATOM 0 HA VAL A 39 2.291 -5.177 -1.704 1.00 24.53 H new ATOM 0 HB VAL A 39 2.654 -4.407 -4.614 1.00 4.14 H new ATOM 0 HG11 VAL A 39 3.732 -6.603 -4.862 1.00 23.15 H new ATOM 0 HG12 VAL A 39 4.627 -5.532 -3.757 1.00 23.15 H new ATOM 0 HG13 VAL A 39 3.621 -6.846 -3.102 1.00 23.15 H new ATOM 0 HG21 VAL A 39 1.302 -6.415 -5.093 1.00 51.33 H new ATOM 0 HG22 VAL A 39 1.037 -6.640 -3.347 1.00 51.33 H new ATOM 0 HG23 VAL A 39 0.392 -5.197 -4.166 1.00 51.33 H new ATOM 637 N ALA A 40 4.411 -3.955 -1.239 1.00 1.42 N ATOM 638 CA ALA A 40 5.556 -3.178 -0.894 1.00 35.24 C ATOM 639 C ALA A 40 6.734 -4.036 -0.571 1.00 15.43 C ATOM 640 O ALA A 40 6.593 -5.109 0.020 1.00 3.44 O ATOM 641 CB ALA A 40 5.232 -2.290 0.275 1.00 34.14 C ATOM 0 H ALA A 40 4.222 -4.745 -0.622 1.00 1.42 H new ATOM 0 HA ALA A 40 5.820 -2.570 -1.759 1.00 35.24 H new ATOM 0 HB1 ALA A 40 6.109 -1.698 0.536 1.00 34.14 H new ATOM 0 HB2 ALA A 40 4.411 -1.625 0.010 1.00 34.14 H new ATOM 0 HB3 ALA A 40 4.941 -2.903 1.128 1.00 34.14 H new ATOM 647 N ARG A 41 7.891 -3.595 -0.984 1.00 62.44 N ATOM 648 CA ARG A 41 9.081 -4.269 -0.658 1.00 41.52 C ATOM 649 C ARG A 41 9.811 -3.594 0.443 1.00 32.00 C ATOM 650 O ARG A 41 9.852 -2.359 0.527 1.00 73.32 O ATOM 651 CB ARG A 41 9.940 -4.462 -1.856 1.00 24.34 C ATOM 652 CG ARG A 41 10.017 -5.898 -2.226 1.00 52.41 C ATOM 653 CD ARG A 41 10.745 -6.127 -3.489 1.00 51.42 C ATOM 654 NE ARG A 41 10.167 -5.380 -4.611 1.00 43.03 N ATOM 655 CZ ARG A 41 10.528 -5.539 -5.883 1.00 32.31 C ATOM 656 NH1 ARG A 41 11.477 -6.412 -6.206 1.00 42.11 N ATOM 657 NH2 ARG A 41 9.943 -4.821 -6.827 1.00 30.21 N ATOM 0 H ARG A 41 8.017 -2.759 -1.554 1.00 62.44 H new ATOM 0 HA ARG A 41 8.806 -5.259 -0.294 1.00 41.52 H new ATOM 0 HB2 ARG A 41 9.540 -3.888 -2.692 1.00 24.34 H new ATOM 0 HB3 ARG A 41 10.941 -4.079 -1.656 1.00 24.34 H new ATOM 0 HG2 ARG A 41 10.509 -6.449 -1.424 1.00 52.41 H new ATOM 0 HG3 ARG A 41 9.008 -6.299 -2.316 1.00 52.41 H new ATOM 0 HD2 ARG A 41 11.788 -5.837 -3.362 1.00 51.42 H new ATOM 0 HD3 ARG A 41 10.737 -7.192 -3.722 1.00 51.42 H new ATOM 0 HE ARG A 41 9.441 -4.694 -4.404 1.00 43.03 H new ATOM 0 HH11 ARG A 41 11.932 -6.963 -5.478 1.00 42.11 H new ATOM 0 HH12 ARG A 41 11.750 -6.531 -7.182 1.00 42.11 H new ATOM 0 HH21 ARG A 41 9.218 -4.148 -6.580 1.00 30.21 H new ATOM 0 HH22 ARG A 41 10.217 -4.940 -7.802 1.00 30.21 H new ATOM 671 N LEU A 42 10.366 -4.391 1.290 1.00 45.55 N ATOM 672 CA LEU A 42 11.095 -3.914 2.416 1.00 12.42 C ATOM 673 C LEU A 42 12.532 -3.718 2.021 1.00 64.23 C ATOM 674 O LEU A 42 13.067 -4.474 1.210 1.00 1.41 O ATOM 675 CB LEU A 42 11.004 -4.920 3.536 1.00 21.32 C ATOM 676 CG LEU A 42 9.571 -5.367 3.895 1.00 12.11 C ATOM 677 CD1 LEU A 42 9.585 -6.451 4.947 1.00 4.12 C ATOM 678 CD2 LEU A 42 8.732 -4.180 4.367 1.00 5.31 C ATOM 0 H LEU A 42 10.326 -5.408 1.219 1.00 45.55 H new ATOM 0 HA LEU A 42 10.678 -2.966 2.754 1.00 12.42 H new ATOM 0 HB2 LEU A 42 11.585 -5.800 3.262 1.00 21.32 H new ATOM 0 HB3 LEU A 42 11.470 -4.495 4.425 1.00 21.32 H new ATOM 0 HG LEU A 42 9.117 -5.775 2.992 1.00 12.11 H new ATOM 0 HD11 LEU A 42 8.562 -6.746 5.180 1.00 4.12 H new ATOM 0 HD12 LEU A 42 10.135 -7.314 4.573 1.00 4.12 H new ATOM 0 HD13 LEU A 42 10.069 -6.076 5.849 1.00 4.12 H new ATOM 0 HD21 LEU A 42 7.726 -4.521 4.614 1.00 5.31 H new ATOM 0 HD22 LEU A 42 9.192 -3.737 5.250 1.00 5.31 H new ATOM 0 HD23 LEU A 42 8.678 -3.434 3.574 1.00 5.31 H new ATOM 690 N LYS A 43 13.142 -2.734 2.596 1.00 73.32 N ATOM 691 CA LYS A 43 14.503 -2.372 2.304 1.00 11.43 C ATOM 692 C LYS A 43 15.451 -3.377 2.894 1.00 52.24 C ATOM 693 O LYS A 43 16.218 -4.022 2.187 1.00 0.33 O ATOM 694 CB LYS A 43 14.826 -1.009 2.922 1.00 11.33 C ATOM 695 CG LYS A 43 13.944 0.135 2.470 1.00 41.44 C ATOM 696 CD LYS A 43 14.310 1.432 3.162 1.00 54.22 C ATOM 697 CE LYS A 43 15.726 1.858 2.820 1.00 73.30 C ATOM 698 NZ LYS A 43 16.130 3.081 3.534 1.00 3.04 N ATOM 0 H LYS A 43 12.703 -2.141 3.300 1.00 73.32 H new ATOM 0 HA LYS A 43 14.616 -2.339 1.220 1.00 11.43 H new ATOM 0 HB2 LYS A 43 14.754 -1.095 4.006 1.00 11.33 H new ATOM 0 HB3 LYS A 43 15.862 -0.760 2.690 1.00 11.33 H new ATOM 0 HG2 LYS A 43 14.035 0.260 1.391 1.00 41.44 H new ATOM 0 HG3 LYS A 43 12.901 -0.106 2.676 1.00 41.44 H new ATOM 0 HD2 LYS A 43 13.611 2.214 2.866 1.00 54.22 H new ATOM 0 HD3 LYS A 43 14.215 1.311 4.241 1.00 54.22 H new ATOM 0 HE2 LYS A 43 16.416 1.051 3.068 1.00 73.30 H new ATOM 0 HE3 LYS A 43 15.803 2.025 1.746 1.00 73.30 H new ATOM 0 HZ1 LYS A 43 17.104 3.333 3.268 1.00 3.04 H new ATOM 0 HZ2 LYS A 43 15.489 3.860 3.279 1.00 3.04 H new ATOM 0 HZ3 LYS A 43 16.083 2.916 4.560 1.00 3.04 H new ATOM 712 N ASN A 44 15.354 -3.520 4.194 1.00 13.00 N ATOM 713 CA ASN A 44 16.300 -4.306 4.967 1.00 2.40 C ATOM 714 C ASN A 44 16.017 -5.774 4.872 1.00 32.30 C ATOM 715 O ASN A 44 16.914 -6.601 5.019 1.00 55.12 O ATOM 716 CB ASN A 44 16.309 -3.863 6.443 1.00 74.10 C ATOM 717 CG ASN A 44 16.795 -2.429 6.655 1.00 11.35 C ATOM 718 OD1 ASN A 44 16.619 -1.562 5.800 1.00 44.21 O ATOM 719 ND2 ASN A 44 17.404 -2.168 7.784 1.00 11.35 N ATOM 0 H ASN A 44 14.615 -3.094 4.753 1.00 13.00 H new ATOM 0 HA ASN A 44 17.286 -4.127 4.539 1.00 2.40 H new ATOM 0 HB2 ASN A 44 15.301 -3.958 6.847 1.00 74.10 H new ATOM 0 HB3 ASN A 44 16.946 -4.540 7.012 1.00 74.10 H new ATOM 0 HD21 ASN A 44 17.746 -1.226 7.973 1.00 11.35 H new ATOM 0 HD22 ASN A 44 17.536 -2.907 8.475 1.00 11.35 H new ATOM 726 N ASN A 45 14.778 -6.102 4.626 1.00 4.31 N ATOM 727 CA ASN A 45 14.371 -7.491 4.583 1.00 65.34 C ATOM 728 C ASN A 45 14.434 -8.012 3.141 1.00 33.42 C ATOM 729 O ASN A 45 14.777 -9.155 2.907 1.00 50.20 O ATOM 730 CB ASN A 45 12.930 -7.618 5.091 1.00 70.14 C ATOM 731 CG ASN A 45 12.516 -9.040 5.451 1.00 3.23 C ATOM 732 OD1 ASN A 45 13.078 -10.007 4.984 1.00 33.54 O ATOM 733 ND2 ASN A 45 11.477 -9.161 6.222 1.00 31.24 N ATOM 0 H ASN A 45 14.029 -5.432 4.452 1.00 4.31 H new ATOM 0 HA ASN A 45 15.043 -8.075 5.212 1.00 65.34 H new ATOM 0 HB2 ASN A 45 12.809 -6.983 5.969 1.00 70.14 H new ATOM 0 HB3 ASN A 45 12.253 -7.237 4.327 1.00 70.14 H new ATOM 0 HD21 ASN A 45 11.115 -10.087 6.448 1.00 31.24 H new ATOM 0 HD22 ASN A 45 11.024 -8.330 6.601 1.00 31.24 H new ATOM 740 N ASN A 46 14.104 -7.133 2.179 1.00 55.02 N ATOM 741 CA ASN A 46 13.996 -7.489 0.735 1.00 2.52 C ATOM 742 C ASN A 46 12.776 -8.310 0.414 1.00 31.21 C ATOM 743 O ASN A 46 12.592 -8.750 -0.719 1.00 10.42 O ATOM 744 CB ASN A 46 15.271 -8.106 0.125 1.00 25.24 C ATOM 745 CG ASN A 46 16.326 -7.071 -0.161 1.00 3.33 C ATOM 746 OD1 ASN A 46 17.167 -6.761 0.683 1.00 72.35 O ATOM 747 ND2 ASN A 46 16.285 -6.522 -1.363 1.00 15.12 N ATOM 0 H ASN A 46 13.902 -6.152 2.371 1.00 55.02 H new ATOM 0 HA ASN A 46 13.875 -6.524 0.244 1.00 2.52 H new ATOM 0 HB2 ASN A 46 15.674 -8.853 0.809 1.00 25.24 H new ATOM 0 HB3 ASN A 46 15.015 -8.625 -0.798 1.00 25.24 H new ATOM 0 HD21 ASN A 46 16.969 -5.811 -1.622 1.00 15.12 H new ATOM 0 HD22 ASN A 46 15.570 -6.810 -2.031 1.00 15.12 H new ATOM 754 N ARG A 47 11.920 -8.487 1.384 1.00 71.42 N ATOM 755 CA ARG A 47 10.699 -9.199 1.167 1.00 62.13 C ATOM 756 C ARG A 47 9.669 -8.324 0.548 1.00 21.21 C ATOM 757 O ARG A 47 9.591 -7.123 0.840 1.00 40.10 O ATOM 758 CB ARG A 47 10.154 -9.805 2.438 1.00 72.52 C ATOM 759 CG ARG A 47 10.901 -10.995 2.969 1.00 15.42 C ATOM 760 CD ARG A 47 10.098 -11.626 4.077 1.00 5.41 C ATOM 761 NE ARG A 47 8.819 -12.158 3.566 1.00 62.04 N ATOM 762 CZ ARG A 47 7.641 -12.089 4.202 1.00 13.41 C ATOM 763 NH1 ARG A 47 7.561 -11.533 5.409 1.00 72.45 N ATOM 764 NH2 ARG A 47 6.543 -12.573 3.622 1.00 33.22 N ATOM 0 H ARG A 47 12.051 -8.144 2.336 1.00 71.42 H new ATOM 0 HA ARG A 47 10.937 -10.013 0.482 1.00 62.13 H new ATOM 0 HB2 ARG A 47 10.141 -9.034 3.209 1.00 72.52 H new ATOM 0 HB3 ARG A 47 9.119 -10.098 2.263 1.00 72.52 H new ATOM 0 HG2 ARG A 47 11.074 -11.717 2.171 1.00 15.42 H new ATOM 0 HG3 ARG A 47 11.879 -10.690 3.340 1.00 15.42 H new ATOM 0 HD2 ARG A 47 10.673 -12.430 4.535 1.00 5.41 H new ATOM 0 HD3 ARG A 47 9.904 -10.889 4.856 1.00 5.41 H new ATOM 0 HE ARG A 47 8.833 -12.615 2.654 1.00 62.04 H new ATOM 0 HH11 ARG A 47 8.398 -11.157 5.854 1.00 72.45 H new ATOM 0 HH12 ARG A 47 6.662 -11.483 5.889 1.00 72.45 H new ATOM 0 HH21 ARG A 47 6.600 -12.995 2.695 1.00 33.22 H new ATOM 0 HH22 ARG A 47 5.646 -12.521 4.105 1.00 33.22 H new ATOM 778 N GLN A 48 8.907 -8.909 -0.315 1.00 12.31 N ATOM 779 CA GLN A 48 7.854 -8.245 -0.961 1.00 12.41 C ATOM 780 C GLN A 48 6.587 -8.729 -0.293 1.00 73.02 C ATOM 781 O GLN A 48 6.286 -9.931 -0.314 1.00 73.21 O ATOM 782 CB GLN A 48 7.880 -8.622 -2.449 1.00 54.30 C ATOM 783 CG GLN A 48 6.971 -7.798 -3.313 1.00 4.03 C ATOM 784 CD GLN A 48 7.011 -8.193 -4.776 1.00 3.24 C ATOM 785 OE1 GLN A 48 7.805 -7.665 -5.555 1.00 43.21 O ATOM 786 NE2 GLN A 48 6.163 -9.115 -5.163 1.00 72.44 N ATOM 0 H GLN A 48 9.012 -9.886 -0.589 1.00 12.31 H new ATOM 0 HA GLN A 48 7.927 -7.160 -0.891 1.00 12.41 H new ATOM 0 HB2 GLN A 48 8.901 -8.523 -2.819 1.00 54.30 H new ATOM 0 HB3 GLN A 48 7.605 -9.672 -2.550 1.00 54.30 H new ATOM 0 HG2 GLN A 48 5.949 -7.893 -2.946 1.00 4.03 H new ATOM 0 HG3 GLN A 48 7.247 -6.748 -3.220 1.00 4.03 H new ATOM 0 HE21 GLN A 48 5.519 -9.531 -4.490 1.00 72.44 H new ATOM 0 HE22 GLN A 48 6.147 -9.417 -6.137 1.00 72.44 H new ATOM 795 N VAL A 49 5.872 -7.828 0.303 1.00 75.14 N ATOM 796 CA VAL A 49 4.683 -8.157 1.066 1.00 51.14 C ATOM 797 C VAL A 49 3.580 -7.219 0.689 1.00 72.54 C ATOM 798 O VAL A 49 3.774 -6.329 -0.133 1.00 45.02 O ATOM 799 CB VAL A 49 4.939 -8.051 2.612 1.00 61.34 C ATOM 800 CG1 VAL A 49 5.998 -9.050 3.048 1.00 62.12 C ATOM 801 CG2 VAL A 49 5.379 -6.633 2.991 1.00 71.33 C ATOM 0 H VAL A 49 6.089 -6.832 0.281 1.00 75.14 H new ATOM 0 HA VAL A 49 4.409 -9.186 0.835 1.00 51.14 H new ATOM 0 HB VAL A 49 4.004 -8.279 3.124 1.00 61.34 H new ATOM 0 HG11 VAL A 49 6.162 -8.961 4.122 1.00 62.12 H new ATOM 0 HG12 VAL A 49 5.663 -10.061 2.814 1.00 62.12 H new ATOM 0 HG13 VAL A 49 6.930 -8.846 2.521 1.00 62.12 H new ATOM 0 HG21 VAL A 49 5.551 -6.581 4.066 1.00 71.33 H new ATOM 0 HG22 VAL A 49 6.300 -6.385 2.463 1.00 71.33 H new ATOM 0 HG23 VAL A 49 4.599 -5.924 2.713 1.00 71.33 H new ATOM 811 N CYS A 50 2.443 -7.401 1.261 1.00 23.13 N ATOM 812 CA CYS A 50 1.367 -6.516 1.004 1.00 33.41 C ATOM 813 C CYS A 50 1.129 -5.677 2.221 1.00 12.13 C ATOM 814 O CYS A 50 1.447 -6.088 3.332 1.00 13.41 O ATOM 815 CB CYS A 50 0.103 -7.259 0.625 1.00 54.43 C ATOM 816 SG CYS A 50 0.286 -8.391 -0.787 1.00 24.22 S ATOM 0 H CYS A 50 2.235 -8.158 1.912 1.00 23.13 H new ATOM 0 HA CYS A 50 1.634 -5.884 0.157 1.00 33.41 H new ATOM 0 HB2 CYS A 50 -0.241 -7.828 1.488 1.00 54.43 H new ATOM 0 HB3 CYS A 50 -0.675 -6.532 0.392 1.00 54.43 H new ATOM 821 N ILE A 51 0.601 -4.514 2.028 1.00 44.34 N ATOM 822 CA ILE A 51 0.327 -3.622 3.104 1.00 65.22 C ATOM 823 C ILE A 51 -1.139 -3.304 3.129 1.00 34.22 C ATOM 824 O ILE A 51 -1.783 -3.207 2.077 1.00 22.15 O ATOM 825 CB ILE A 51 1.143 -2.312 3.013 1.00 53.21 C ATOM 826 CG1 ILE A 51 2.623 -2.621 2.887 1.00 51.53 C ATOM 827 CG2 ILE A 51 0.891 -1.442 4.228 1.00 10.12 C ATOM 828 CD1 ILE A 51 3.522 -1.394 3.003 1.00 10.22 C ATOM 0 H ILE A 51 0.345 -4.153 1.109 1.00 44.34 H new ATOM 0 HA ILE A 51 0.624 -4.122 4.026 1.00 65.22 H new ATOM 0 HB ILE A 51 0.822 -1.767 2.125 1.00 53.21 H new ATOM 0 HG12 ILE A 51 2.902 -3.338 3.659 1.00 51.53 H new ATOM 0 HG13 ILE A 51 2.803 -3.102 1.926 1.00 51.53 H new ATOM 0 HG21 ILE A 51 1.474 -0.525 4.146 1.00 10.12 H new ATOM 0 HG22 ILE A 51 -0.169 -1.195 4.285 1.00 10.12 H new ATOM 0 HG23 ILE A 51 1.187 -1.980 5.129 1.00 10.12 H new ATOM 0 HD11 ILE A 51 4.565 -1.696 2.903 1.00 10.22 H new ATOM 0 HD12 ILE A 51 3.272 -0.684 2.214 1.00 10.22 H new ATOM 0 HD13 ILE A 51 3.372 -0.924 3.975 1.00 10.22 H new ATOM 840 N ASP A 52 -1.667 -3.208 4.306 1.00 31.53 N ATOM 841 CA ASP A 52 -3.048 -2.890 4.510 1.00 21.12 C ATOM 842 C ASP A 52 -3.282 -1.395 4.347 1.00 23.41 C ATOM 843 O ASP A 52 -2.591 -0.577 4.965 1.00 70.02 O ATOM 844 CB ASP A 52 -3.452 -3.362 5.867 1.00 53.34 C ATOM 845 CG ASP A 52 -4.880 -3.065 6.206 1.00 22.15 C ATOM 846 OD1 ASP A 52 -5.762 -3.888 5.885 1.00 73.30 O ATOM 847 OD2 ASP A 52 -5.135 -2.031 6.830 1.00 42.21 O ATOM 0 H ASP A 52 -1.144 -3.350 5.170 1.00 31.53 H new ATOM 0 HA ASP A 52 -3.660 -3.393 3.762 1.00 21.12 H new ATOM 0 HB2 ASP A 52 -3.288 -4.438 5.932 1.00 53.34 H new ATOM 0 HB3 ASP A 52 -2.806 -2.896 6.611 1.00 53.34 H new ATOM 852 N PRO A 53 -4.266 -1.024 3.517 1.00 2.25 N ATOM 853 CA PRO A 53 -4.537 0.373 3.164 1.00 70.01 C ATOM 854 C PRO A 53 -4.972 1.263 4.326 1.00 62.34 C ATOM 855 O PRO A 53 -4.800 2.481 4.267 1.00 71.13 O ATOM 856 CB PRO A 53 -5.664 0.274 2.131 1.00 53.14 C ATOM 857 CG PRO A 53 -6.303 -1.044 2.383 1.00 64.33 C ATOM 858 CD PRO A 53 -5.201 -1.947 2.838 1.00 32.55 C ATOM 0 HA PRO A 53 -3.624 0.848 2.806 1.00 70.01 H new ATOM 0 HB2 PRO A 53 -6.379 1.088 2.248 1.00 53.14 H new ATOM 0 HB3 PRO A 53 -5.274 0.336 1.115 1.00 53.14 H new ATOM 0 HG2 PRO A 53 -7.081 -0.963 3.142 1.00 64.33 H new ATOM 0 HG3 PRO A 53 -6.777 -1.429 1.480 1.00 64.33 H new ATOM 0 HD2 PRO A 53 -5.567 -2.719 3.515 1.00 32.55 H new ATOM 0 HD3 PRO A 53 -4.726 -2.457 2.000 1.00 32.55 H new ATOM 866 N LYS A 54 -5.502 0.685 5.386 1.00 2.33 N ATOM 867 CA LYS A 54 -6.037 1.513 6.436 1.00 2.01 C ATOM 868 C LYS A 54 -5.049 1.747 7.583 1.00 53.51 C ATOM 869 O LYS A 54 -5.413 2.309 8.623 1.00 3.43 O ATOM 870 CB LYS A 54 -7.461 1.057 6.873 1.00 31.20 C ATOM 871 CG LYS A 54 -7.589 -0.326 7.489 1.00 61.42 C ATOM 872 CD LYS A 54 -7.220 -0.331 8.960 1.00 31.35 C ATOM 873 CE LYS A 54 -8.224 0.483 9.784 1.00 1.33 C ATOM 874 NZ LYS A 54 -7.922 0.449 11.223 1.00 50.12 N ATOM 0 H LYS A 54 -5.571 -0.321 5.537 1.00 2.33 H new ATOM 0 HA LYS A 54 -6.180 2.509 6.018 1.00 2.01 H new ATOM 0 HB2 LYS A 54 -7.843 1.783 7.591 1.00 31.20 H new ATOM 0 HB3 LYS A 54 -8.112 1.099 6.000 1.00 31.20 H new ATOM 0 HG2 LYS A 54 -8.613 -0.682 7.371 1.00 61.42 H new ATOM 0 HG3 LYS A 54 -6.946 -1.023 6.952 1.00 61.42 H new ATOM 0 HD2 LYS A 54 -7.191 -1.357 9.327 1.00 31.35 H new ATOM 0 HD3 LYS A 54 -6.220 0.082 9.089 1.00 31.35 H new ATOM 0 HE2 LYS A 54 -8.221 1.517 9.439 1.00 1.33 H new ATOM 0 HE3 LYS A 54 -9.228 0.094 9.616 1.00 1.33 H new ATOM 0 HZ1 LYS A 54 -8.627 1.013 11.739 1.00 50.12 H new ATOM 0 HZ2 LYS A 54 -7.951 -0.534 11.561 1.00 50.12 H new ATOM 0 HZ3 LYS A 54 -6.974 0.844 11.388 1.00 50.12 H new ATOM 888 N LEU A 55 -3.793 1.328 7.382 1.00 64.45 N ATOM 889 CA LEU A 55 -2.707 1.653 8.314 1.00 21.21 C ATOM 890 C LEU A 55 -2.558 3.163 8.423 1.00 1.15 C ATOM 891 O LEU A 55 -2.747 3.880 7.440 1.00 61.32 O ATOM 892 CB LEU A 55 -1.383 1.041 7.854 1.00 53.01 C ATOM 893 CG LEU A 55 -1.156 -0.442 8.137 1.00 25.22 C ATOM 894 CD1 LEU A 55 0.134 -0.894 7.499 1.00 73.34 C ATOM 895 CD2 LEU A 55 -1.060 -0.674 9.627 1.00 11.11 C ATOM 0 H LEU A 55 -3.504 0.764 6.583 1.00 64.45 H new ATOM 0 HA LEU A 55 -2.959 1.235 9.288 1.00 21.21 H new ATOM 0 HB2 LEU A 55 -1.297 1.195 6.778 1.00 53.01 H new ATOM 0 HB3 LEU A 55 -0.573 1.601 8.322 1.00 53.01 H new ATOM 0 HG LEU A 55 -1.994 -1.006 7.726 1.00 25.22 H new ATOM 0 HD11 LEU A 55 0.290 -1.953 7.705 1.00 73.34 H new ATOM 0 HD12 LEU A 55 0.081 -0.737 6.422 1.00 73.34 H new ATOM 0 HD13 LEU A 55 0.964 -0.319 7.909 1.00 73.34 H new ATOM 0 HD21 LEU A 55 -0.898 -1.734 9.820 1.00 11.11 H new ATOM 0 HD22 LEU A 55 -0.226 -0.100 10.032 1.00 11.11 H new ATOM 0 HD23 LEU A 55 -1.986 -0.355 10.105 1.00 11.11 H new ATOM 907 N LYS A 56 -2.189 3.639 9.594 1.00 22.05 N ATOM 908 CA LYS A 56 -2.124 5.067 9.836 1.00 43.43 C ATOM 909 C LYS A 56 -1.048 5.734 9.003 1.00 54.11 C ATOM 910 O LYS A 56 -1.309 6.745 8.360 1.00 22.21 O ATOM 911 CB LYS A 56 -1.976 5.414 11.330 1.00 53.10 C ATOM 912 CG LYS A 56 -1.947 6.919 11.593 1.00 2.25 C ATOM 913 CD LYS A 56 -1.943 7.275 13.074 1.00 12.24 C ATOM 914 CE LYS A 56 -0.701 6.791 13.805 1.00 22.15 C ATOM 915 NZ LYS A 56 -0.714 7.208 15.226 1.00 42.33 N ATOM 0 H LYS A 56 -1.930 3.060 10.393 1.00 22.05 H new ATOM 0 HA LYS A 56 -3.085 5.470 9.517 1.00 43.43 H new ATOM 0 HB2 LYS A 56 -2.803 4.970 11.884 1.00 53.10 H new ATOM 0 HB3 LYS A 56 -1.059 4.966 11.712 1.00 53.10 H new ATOM 0 HG2 LYS A 56 -1.061 7.345 11.122 1.00 2.25 H new ATOM 0 HG3 LYS A 56 -2.813 7.380 11.119 1.00 2.25 H new ATOM 0 HD2 LYS A 56 -2.021 8.357 13.181 1.00 12.24 H new ATOM 0 HD3 LYS A 56 -2.826 6.844 13.547 1.00 12.24 H new ATOM 0 HE2 LYS A 56 -0.641 5.704 13.744 1.00 22.15 H new ATOM 0 HE3 LYS A 56 0.189 7.188 13.316 1.00 22.15 H new ATOM 0 HZ1 LYS A 56 0.146 6.863 15.697 1.00 42.33 H new ATOM 0 HZ2 LYS A 56 -0.747 8.246 15.283 1.00 42.33 H new ATOM 0 HZ3 LYS A 56 -1.551 6.809 15.697 1.00 42.33 H new ATOM 929 N TRP A 57 0.151 5.150 8.962 1.00 24.23 N ATOM 930 CA TRP A 57 1.220 5.760 8.179 1.00 41.14 C ATOM 931 C TRP A 57 0.916 5.643 6.682 1.00 52.05 C ATOM 932 O TRP A 57 1.391 6.438 5.875 1.00 43.53 O ATOM 933 CB TRP A 57 2.626 5.206 8.531 1.00 23.03 C ATOM 934 CG TRP A 57 2.887 3.774 8.159 1.00 43.31 C ATOM 935 CD1 TRP A 57 2.673 2.661 8.913 1.00 72.32 C ATOM 936 CD2 TRP A 57 3.449 3.319 6.932 1.00 10.40 C ATOM 937 NE1 TRP A 57 3.052 1.548 8.222 1.00 52.22 N ATOM 938 CE2 TRP A 57 3.534 1.924 7.004 1.00 44.32 C ATOM 939 CE3 TRP A 57 3.880 3.961 5.780 1.00 22.21 C ATOM 940 CZ2 TRP A 57 4.037 1.161 5.961 1.00 63.41 C ATOM 941 CZ3 TRP A 57 4.377 3.206 4.749 1.00 33.30 C ATOM 942 CH2 TRP A 57 4.454 1.821 4.845 1.00 53.44 C ATOM 0 H TRP A 57 0.399 4.286 9.444 1.00 24.23 H new ATOM 0 HA TRP A 57 1.251 6.817 8.444 1.00 41.14 H new ATOM 0 HB2 TRP A 57 3.373 5.829 8.039 1.00 23.03 H new ATOM 0 HB3 TRP A 57 2.778 5.314 9.605 1.00 23.03 H new ATOM 0 HD1 TRP A 57 2.263 2.660 9.912 1.00 72.32 H new ATOM 0 HE1 TRP A 57 2.985 0.589 8.562 1.00 52.22 H new ATOM 0 HE3 TRP A 57 3.825 5.036 5.697 1.00 22.21 H new ATOM 0 HZ2 TRP A 57 4.096 0.085 6.031 1.00 63.41 H new ATOM 0 HZ3 TRP A 57 4.714 3.695 3.847 1.00 33.30 H new ATOM 0 HH2 TRP A 57 4.853 1.256 4.016 1.00 53.44 H new ATOM 953 N ILE A 58 0.097 4.660 6.333 1.00 11.14 N ATOM 954 CA ILE A 58 -0.348 4.477 4.962 1.00 33.30 C ATOM 955 C ILE A 58 -1.372 5.537 4.612 1.00 33.11 C ATOM 956 O ILE A 58 -1.358 6.096 3.513 1.00 44.51 O ATOM 957 CB ILE A 58 -0.917 3.054 4.724 1.00 31.42 C ATOM 958 CG1 ILE A 58 0.182 2.015 4.838 1.00 21.24 C ATOM 959 CG2 ILE A 58 -1.581 2.950 3.375 1.00 1.13 C ATOM 960 CD1 ILE A 58 1.265 2.177 3.802 1.00 43.10 C ATOM 0 H ILE A 58 -0.274 3.972 6.989 1.00 11.14 H new ATOM 0 HA ILE A 58 0.516 4.585 4.306 1.00 33.30 H new ATOM 0 HB ILE A 58 -1.667 2.866 5.492 1.00 31.42 H new ATOM 0 HG12 ILE A 58 0.627 2.074 5.831 1.00 21.24 H new ATOM 0 HG13 ILE A 58 -0.256 1.021 4.744 1.00 21.24 H new ATOM 0 HG21 ILE A 58 -1.970 1.941 3.238 1.00 1.13 H new ATOM 0 HG22 ILE A 58 -2.401 3.666 3.317 1.00 1.13 H new ATOM 0 HG23 ILE A 58 -0.853 3.168 2.593 1.00 1.13 H new ATOM 0 HD11 ILE A 58 2.019 1.402 3.940 1.00 43.10 H new ATOM 0 HD12 ILE A 58 0.832 2.088 2.806 1.00 43.10 H new ATOM 0 HD13 ILE A 58 1.728 3.158 3.910 1.00 43.10 H new ATOM 972 N GLN A 59 -2.245 5.830 5.551 1.00 43.33 N ATOM 973 CA GLN A 59 -3.186 6.904 5.383 1.00 62.51 C ATOM 974 C GLN A 59 -2.467 8.221 5.220 1.00 31.44 C ATOM 975 O GLN A 59 -2.881 9.040 4.433 1.00 45.54 O ATOM 976 CB GLN A 59 -4.205 6.954 6.517 1.00 13.44 C ATOM 977 CG GLN A 59 -5.226 5.824 6.480 1.00 75.52 C ATOM 978 CD GLN A 59 -6.071 5.870 5.213 1.00 64.23 C ATOM 979 OE1 GLN A 59 -7.103 6.529 5.175 1.00 54.31 O ATOM 980 NE2 GLN A 59 -5.669 5.156 4.190 1.00 73.32 N ATOM 0 H GLN A 59 -2.319 5.335 6.440 1.00 43.33 H new ATOM 0 HA GLN A 59 -3.748 6.712 4.469 1.00 62.51 H new ATOM 0 HB2 GLN A 59 -3.676 6.921 7.469 1.00 13.44 H new ATOM 0 HB3 GLN A 59 -4.731 7.908 6.477 1.00 13.44 H new ATOM 0 HG2 GLN A 59 -4.710 4.865 6.539 1.00 75.52 H new ATOM 0 HG3 GLN A 59 -5.875 5.891 7.353 1.00 75.52 H new ATOM 0 HE21 GLN A 59 -4.805 4.618 4.252 1.00 73.32 H new ATOM 0 HE22 GLN A 59 -6.220 5.139 3.332 1.00 73.32 H new ATOM 989 N GLU A 60 -1.363 8.397 5.952 1.00 43.24 N ATOM 990 CA GLU A 60 -0.530 9.591 5.817 1.00 43.40 C ATOM 991 C GLU A 60 0.107 9.614 4.418 1.00 4.44 C ATOM 992 O GLU A 60 0.144 10.648 3.748 1.00 65.42 O ATOM 993 CB GLU A 60 0.574 9.606 6.881 1.00 31.42 C ATOM 994 CG GLU A 60 0.072 9.517 8.312 1.00 61.13 C ATOM 995 CD GLU A 60 1.181 9.654 9.328 1.00 63.01 C ATOM 996 OE1 GLU A 60 1.958 8.691 9.528 1.00 71.14 O ATOM 997 OE2 GLU A 60 1.304 10.748 9.928 1.00 35.30 O ATOM 0 H GLU A 60 -1.027 7.727 6.644 1.00 43.24 H new ATOM 0 HA GLU A 60 -1.158 10.471 5.955 1.00 43.40 H new ATOM 0 HB2 GLU A 60 1.252 8.773 6.695 1.00 31.42 H new ATOM 0 HB3 GLU A 60 1.156 10.521 6.770 1.00 31.42 H new ATOM 0 HG2 GLU A 60 -0.669 10.298 8.482 1.00 61.13 H new ATOM 0 HG3 GLU A 60 -0.432 8.562 8.457 1.00 61.13 H new ATOM 1004 N TYR A 61 0.584 8.448 3.992 1.00 1.32 N ATOM 1005 CA TYR A 61 1.188 8.255 2.674 1.00 23.04 C ATOM 1006 C TYR A 61 0.216 8.641 1.566 1.00 24.43 C ATOM 1007 O TYR A 61 0.533 9.431 0.694 1.00 70.53 O ATOM 1008 CB TYR A 61 1.630 6.776 2.503 1.00 14.44 C ATOM 1009 CG TYR A 61 2.068 6.415 1.101 1.00 21.42 C ATOM 1010 CD1 TYR A 61 3.238 6.915 0.545 1.00 23.14 C ATOM 1011 CD2 TYR A 61 1.275 5.592 0.322 1.00 70.54 C ATOM 1012 CE1 TYR A 61 3.599 6.595 -0.753 1.00 73.42 C ATOM 1013 CE2 TYR A 61 1.613 5.271 -0.965 1.00 74.11 C ATOM 1014 CZ TYR A 61 2.783 5.772 -1.506 1.00 74.15 C ATOM 1015 OH TYR A 61 3.130 5.457 -2.805 1.00 34.41 O ATOM 0 H TYR A 61 0.563 7.600 4.558 1.00 1.32 H new ATOM 0 HA TYR A 61 2.062 8.902 2.601 1.00 23.04 H new ATOM 0 HB2 TYR A 61 2.451 6.572 3.191 1.00 14.44 H new ATOM 0 HB3 TYR A 61 0.804 6.126 2.791 1.00 14.44 H new ATOM 0 HD1 TYR A 61 3.874 7.561 1.132 1.00 23.14 H new ATOM 0 HD2 TYR A 61 0.364 5.191 0.741 1.00 70.54 H new ATOM 0 HE1 TYR A 61 4.513 6.986 -1.175 1.00 73.42 H new ATOM 0 HE2 TYR A 61 0.971 4.632 -1.553 1.00 74.11 H new ATOM 0 HH TYR A 61 2.449 4.868 -3.192 1.00 34.41 H new ATOM 1025 N LEU A 62 -0.944 8.084 1.617 1.00 73.42 N ATOM 1026 CA LEU A 62 -1.954 8.328 0.632 1.00 15.43 C ATOM 1027 C LEU A 62 -2.542 9.688 0.729 1.00 11.15 C ATOM 1028 O LEU A 62 -2.916 10.266 -0.272 1.00 74.13 O ATOM 1029 CB LEU A 62 -2.948 7.225 0.672 1.00 34.54 C ATOM 1030 CG LEU A 62 -2.346 5.952 0.131 1.00 12.22 C ATOM 1031 CD1 LEU A 62 -3.027 4.772 0.650 1.00 52.24 C ATOM 1032 CD2 LEU A 62 -2.389 5.943 -1.379 1.00 61.33 C ATOM 0 H LEU A 62 -1.227 7.436 2.352 1.00 73.42 H new ATOM 0 HA LEU A 62 -1.498 8.324 -0.358 1.00 15.43 H new ATOM 0 HB2 LEU A 62 -3.285 7.068 1.697 1.00 34.54 H new ATOM 0 HB3 LEU A 62 -3.826 7.497 0.086 1.00 34.54 H new ATOM 0 HG LEU A 62 -1.308 5.919 0.462 1.00 12.22 H new ATOM 0 HD11 LEU A 62 -2.565 3.875 0.238 1.00 52.24 H new ATOM 0 HD12 LEU A 62 -2.947 4.755 1.737 1.00 52.24 H new ATOM 0 HD13 LEU A 62 -4.078 4.803 0.364 1.00 52.24 H new ATOM 0 HD21 LEU A 62 -1.950 5.017 -1.750 1.00 61.33 H new ATOM 0 HD22 LEU A 62 -3.424 6.014 -1.714 1.00 61.33 H new ATOM 0 HD23 LEU A 62 -1.824 6.792 -1.764 1.00 61.33 H new ATOM 1044 N GLU A 63 -2.577 10.227 1.916 1.00 73.43 N ATOM 1045 CA GLU A 63 -3.039 11.562 2.106 1.00 61.41 C ATOM 1046 C GLU A 63 -2.082 12.531 1.422 1.00 30.13 C ATOM 1047 O GLU A 63 -2.515 13.453 0.749 1.00 21.40 O ATOM 1048 CB GLU A 63 -3.162 11.867 3.586 1.00 52.42 C ATOM 1049 CG GLU A 63 -3.722 13.221 3.902 1.00 61.54 C ATOM 1050 CD GLU A 63 -3.877 13.415 5.376 1.00 43.40 C ATOM 1051 OE1 GLU A 63 -4.955 13.077 5.920 1.00 30.21 O ATOM 1052 OE2 GLU A 63 -2.928 13.898 6.021 1.00 10.42 O ATOM 0 H GLU A 63 -2.287 9.752 2.770 1.00 73.43 H new ATOM 0 HA GLU A 63 -4.027 11.675 1.659 1.00 61.41 H new ATOM 0 HB2 GLU A 63 -3.796 11.110 4.048 1.00 52.42 H new ATOM 0 HB3 GLU A 63 -2.177 11.780 4.044 1.00 52.42 H new ATOM 0 HG2 GLU A 63 -3.065 13.992 3.499 1.00 61.54 H new ATOM 0 HG3 GLU A 63 -4.689 13.340 3.414 1.00 61.54 H new ATOM 1059 N LYS A 64 -0.770 12.294 1.562 1.00 22.42 N ATOM 1060 CA LYS A 64 0.199 13.160 0.932 1.00 73.33 C ATOM 1061 C LYS A 64 0.227 12.919 -0.581 1.00 74.25 C ATOM 1062 O LYS A 64 0.380 13.852 -1.366 1.00 42.44 O ATOM 1063 CB LYS A 64 1.601 13.001 1.521 1.00 71.52 C ATOM 1064 CG LYS A 64 2.390 11.824 1.049 1.00 52.40 C ATOM 1065 CD LYS A 64 3.768 11.936 1.577 1.00 41.32 C ATOM 1066 CE LYS A 64 4.672 10.861 1.015 1.00 34.34 C ATOM 1067 NZ LYS A 64 6.047 10.978 1.536 1.00 2.04 N ATOM 0 H LYS A 64 -0.375 11.522 2.098 1.00 22.42 H new ATOM 0 HA LYS A 64 -0.116 14.185 1.130 1.00 73.33 H new ATOM 0 HB2 LYS A 64 2.169 13.904 1.299 1.00 71.52 H new ATOM 0 HB3 LYS A 64 1.511 12.939 2.606 1.00 71.52 H new ATOM 0 HG2 LYS A 64 1.928 10.898 1.391 1.00 52.40 H new ATOM 0 HG3 LYS A 64 2.404 11.790 -0.040 1.00 52.40 H new ATOM 0 HD2 LYS A 64 4.173 12.917 1.331 1.00 41.32 H new ATOM 0 HD3 LYS A 64 3.748 11.863 2.664 1.00 41.32 H new ATOM 0 HE2 LYS A 64 4.270 9.879 1.266 1.00 34.34 H new ATOM 0 HE3 LYS A 64 4.688 10.930 -0.073 1.00 34.34 H new ATOM 0 HZ1 LYS A 64 6.638 10.225 1.129 1.00 2.04 H new ATOM 0 HZ2 LYS A 64 6.439 11.905 1.275 1.00 2.04 H new ATOM 0 HZ3 LYS A 64 6.035 10.887 2.572 1.00 2.04 H new ATOM 1081 N ALA A 65 0.044 11.658 -0.980 1.00 43.35 N ATOM 1082 CA ALA A 65 0.051 11.272 -2.382 1.00 43.11 C ATOM 1083 C ALA A 65 -1.132 11.855 -3.110 1.00 22.32 C ATOM 1084 O ALA A 65 -1.013 12.281 -4.253 1.00 14.02 O ATOM 1085 CB ALA A 65 0.055 9.766 -2.530 1.00 1.32 C ATOM 0 H ALA A 65 -0.112 10.882 -0.337 1.00 43.35 H new ATOM 0 HA ALA A 65 0.964 11.669 -2.826 1.00 43.11 H new ATOM 0 HB1 ALA A 65 0.060 9.504 -3.588 1.00 1.32 H new ATOM 0 HB2 ALA A 65 0.944 9.356 -2.050 1.00 1.32 H new ATOM 0 HB3 ALA A 65 -0.836 9.352 -2.058 1.00 1.32 H new ATOM 1091 N LEU A 66 -2.267 11.864 -2.457 1.00 31.20 N ATOM 1092 CA LEU A 66 -3.463 12.437 -3.026 1.00 20.12 C ATOM 1093 C LEU A 66 -3.410 13.963 -2.960 1.00 32.31 C ATOM 1094 O LEU A 66 -3.918 14.651 -3.852 1.00 3.24 O ATOM 1095 CB LEU A 66 -4.716 11.880 -2.343 1.00 40.41 C ATOM 1096 CG LEU A 66 -5.001 10.388 -2.558 1.00 43.25 C ATOM 1097 CD1 LEU A 66 -6.254 9.973 -1.807 1.00 74.51 C ATOM 1098 CD2 LEU A 66 -5.142 10.065 -4.044 1.00 31.51 C ATOM 0 H LEU A 66 -2.389 11.477 -1.521 1.00 31.20 H new ATOM 0 HA LEU A 66 -3.517 12.154 -4.077 1.00 20.12 H new ATOM 0 HB2 LEU A 66 -4.631 12.061 -1.272 1.00 40.41 H new ATOM 0 HB3 LEU A 66 -5.578 12.447 -2.694 1.00 40.41 H new ATOM 0 HG LEU A 66 -4.155 9.824 -2.167 1.00 43.25 H new ATOM 0 HD11 LEU A 66 -6.441 8.912 -1.970 1.00 74.51 H new ATOM 0 HD12 LEU A 66 -6.117 10.157 -0.741 1.00 74.51 H new ATOM 0 HD13 LEU A 66 -7.104 10.552 -2.169 1.00 74.51 H new ATOM 0 HD21 LEU A 66 -5.344 9.001 -4.168 1.00 31.51 H new ATOM 0 HD22 LEU A 66 -5.966 10.642 -4.465 1.00 31.51 H new ATOM 0 HD23 LEU A 66 -4.218 10.322 -4.561 1.00 31.51 H new ATOM 1110 N ASN A 67 -2.775 14.480 -1.915 1.00 3.23 N ATOM 1111 CA ASN A 67 -2.571 15.923 -1.753 1.00 63.54 C ATOM 1112 C ASN A 67 -1.630 16.444 -2.832 1.00 14.14 C ATOM 1113 O ASN A 67 -1.721 17.593 -3.231 1.00 52.43 O ATOM 1114 CB ASN A 67 -1.988 16.227 -0.364 1.00 14.11 C ATOM 1115 CG ASN A 67 -1.734 17.704 -0.118 1.00 21.23 C ATOM 1116 OD1 ASN A 67 -0.651 18.221 -0.402 1.00 42.22 O ATOM 1117 ND2 ASN A 67 -2.708 18.384 0.419 1.00 10.31 N ATOM 0 H ASN A 67 -2.387 13.918 -1.157 1.00 3.23 H new ATOM 0 HA ASN A 67 -3.535 16.422 -1.849 1.00 63.54 H new ATOM 0 HB2 ASN A 67 -2.673 15.854 0.397 1.00 14.11 H new ATOM 0 HB3 ASN A 67 -1.052 15.682 -0.246 1.00 14.11 H new ATOM 0 HD21 ASN A 67 -2.588 19.377 0.618 1.00 10.31 H new ATOM 0 HD22 ASN A 67 -3.590 17.923 0.641 1.00 10.31 H new ATOM 1124 N LYS A 68 -0.737 15.573 -3.281 1.00 10.45 N ATOM 1125 CA LYS A 68 0.231 15.861 -4.332 1.00 30.05 C ATOM 1126 C LYS A 68 -0.459 16.353 -5.611 1.00 40.12 C ATOM 1127 O LYS A 68 -0.930 15.506 -6.414 1.00 36.05 O ATOM 1128 CB LYS A 68 1.014 14.599 -4.637 1.00 74.12 C ATOM 1129 CG LYS A 68 2.127 14.789 -5.636 1.00 14.33 C ATOM 1130 CD LYS A 68 2.781 13.474 -5.987 1.00 41.13 C ATOM 1131 CE LYS A 68 1.967 12.616 -6.995 1.00 2.12 C ATOM 1132 NZ LYS A 68 0.595 12.246 -6.542 1.00 75.11 N ATOM 1133 OXT LYS A 68 -0.520 17.576 -5.832 1.00 36.05 O ATOM 0 H LYS A 68 -0.663 14.623 -2.916 1.00 10.45 H new ATOM 0 HA LYS A 68 0.896 16.651 -3.983 1.00 30.05 H new ATOM 0 HB2 LYS A 68 1.436 14.213 -3.709 1.00 74.12 H new ATOM 0 HB3 LYS A 68 0.328 13.841 -5.014 1.00 74.12 H new ATOM 0 HG2 LYS A 68 1.732 15.253 -6.539 1.00 14.33 H new ATOM 0 HG3 LYS A 68 2.873 15.471 -5.227 1.00 14.33 H new ATOM 0 HD2 LYS A 68 3.768 13.671 -6.406 1.00 41.13 H new ATOM 0 HD3 LYS A 68 2.931 12.899 -5.073 1.00 41.13 H new ATOM 0 HE2 LYS A 68 1.888 13.163 -7.934 1.00 2.12 H new ATOM 0 HE3 LYS A 68 2.523 11.702 -7.204 1.00 2.12 H new ATOM 0 HZ1 LYS A 68 0.273 11.405 -7.062 1.00 75.11 H new ATOM 0 HZ2 LYS A 68 0.610 12.038 -5.523 1.00 75.11 H new ATOM 0 HZ3 LYS A 68 -0.056 13.036 -6.724 1.00 75.11 H new TER 1147 LYS A 68