USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=11 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 -160:sc= -0.285 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.66! C(o=-1.9!,f=-6.1!) USER MOD Single : A 1 LYS N :NH3+ -165:sc= -1.92! (180deg=-2.61!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 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= -3.24! C(o=-3.2!,f=-7.8!) 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+ 179:sc= 0.954 (180deg=0.948) USER MOD Single : A 30 ASN : amide:sc= -0.0458 X(o=-0.046,f=-0.1) USER MOD Single : A 33 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.3!) 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=-0.48) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.815 F(o=-2.4,f=-0.81) USER MOD Single : A 46 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.68) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.567 X(o=-0.57,f=-0.21) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.0113 (180deg=-0.0988) USER MOD Single : A 67 ASN :FLIP amide:sc= 0.853 F(o=0,f=0.85) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.619 -27.052 -6.473 1.00 13.11 N ATOM 2 CA LYS A 1 -13.943 -26.281 -7.667 1.00 71.23 C ATOM 3 C LYS A 1 -14.961 -25.242 -7.271 1.00 32.31 C ATOM 4 O LYS A 1 -16.074 -25.593 -6.895 1.00 13.12 O ATOM 5 CB LYS A 1 -14.570 -27.157 -8.801 1.00 63.14 C ATOM 6 CG LYS A 1 -13.809 -28.437 -9.203 1.00 52.52 C ATOM 7 CD LYS A 1 -13.950 -29.552 -8.159 1.00 73.21 C ATOM 8 CE LYS A 1 -15.406 -30.016 -8.015 1.00 42.02 C ATOM 9 NZ LYS A 1 -15.573 -30.988 -6.920 1.00 24.04 N ATOM 0 H1 LYS A 1 -12.751 -27.600 -6.639 1.00 13.11 H new ATOM 0 H2 LYS A 1 -13.473 -26.406 -5.671 1.00 13.11 H new ATOM 0 H3 LYS A 1 -14.402 -27.701 -6.256 1.00 13.11 H new ATOM 0 HA LYS A 1 -13.020 -25.849 -8.053 1.00 71.23 H new ATOM 0 HB2 LYS A 1 -15.574 -27.444 -8.490 1.00 63.14 H new ATOM 0 HB3 LYS A 1 -14.677 -26.534 -9.689 1.00 63.14 H new ATOM 0 HG2 LYS A 1 -14.183 -28.792 -10.163 1.00 52.52 H new ATOM 0 HG3 LYS A 1 -12.753 -28.202 -9.339 1.00 52.52 H new ATOM 0 HD2 LYS A 1 -13.325 -30.398 -8.444 1.00 73.21 H new ATOM 0 HD3 LYS A 1 -13.585 -29.196 -7.196 1.00 73.21 H new ATOM 0 HE2 LYS A 1 -16.045 -29.152 -7.833 1.00 42.02 H new ATOM 0 HE3 LYS A 1 -15.737 -30.465 -8.951 1.00 42.02 H new ATOM 0 HZ1 LYS A 1 -16.571 -31.274 -6.859 1.00 24.04 H new ATOM 0 HZ2 LYS A 1 -14.984 -31.825 -7.106 1.00 24.04 H new ATOM 0 HZ3 LYS A 1 -15.282 -30.552 -6.022 1.00 24.04 H new ATOM 23 N PRO A 2 -14.602 -23.953 -7.300 1.00 11.51 N ATOM 24 CA PRO A 2 -15.540 -22.868 -6.982 1.00 43.11 C ATOM 25 C PRO A 2 -16.715 -22.805 -7.969 1.00 55.11 C ATOM 26 O PRO A 2 -17.799 -22.352 -7.613 1.00 61.24 O ATOM 27 CB PRO A 2 -14.686 -21.599 -7.100 1.00 70.11 C ATOM 28 CG PRO A 2 -13.277 -22.072 -6.981 1.00 23.43 C ATOM 29 CD PRO A 2 -13.248 -23.437 -7.589 1.00 31.23 C ATOM 0 HA PRO A 2 -15.992 -23.004 -5.999 1.00 43.11 H new ATOM 0 HB2 PRO A 2 -14.855 -21.096 -8.052 1.00 70.11 H new ATOM 0 HB3 PRO A 2 -14.930 -20.884 -6.314 1.00 70.11 H new ATOM 0 HG2 PRO A 2 -12.594 -21.399 -7.500 1.00 23.43 H new ATOM 0 HG3 PRO A 2 -12.963 -22.103 -5.938 1.00 23.43 H new ATOM 0 HD2 PRO A 2 -13.050 -23.399 -8.660 1.00 31.23 H new ATOM 0 HD3 PRO A 2 -12.474 -24.062 -7.144 1.00 31.23 H new ATOM 37 N VAL A 3 -16.480 -23.293 -9.205 1.00 42.12 N ATOM 38 CA VAL A 3 -17.463 -23.280 -10.305 1.00 2.43 C ATOM 39 C VAL A 3 -17.693 -21.847 -10.767 1.00 33.15 C ATOM 40 O VAL A 3 -17.177 -21.424 -11.808 1.00 65.54 O ATOM 41 CB VAL A 3 -18.809 -23.979 -9.938 1.00 63.05 C ATOM 42 CG1 VAL A 3 -19.781 -23.940 -11.106 1.00 72.22 C ATOM 43 CG2 VAL A 3 -18.568 -25.418 -9.496 1.00 12.02 C ATOM 0 H VAL A 3 -15.589 -23.713 -9.469 1.00 42.12 H new ATOM 0 HA VAL A 3 -17.043 -23.865 -11.124 1.00 2.43 H new ATOM 0 HB VAL A 3 -19.253 -23.431 -9.107 1.00 63.05 H new ATOM 0 HG11 VAL A 3 -20.710 -24.434 -10.823 1.00 72.22 H new ATOM 0 HG12 VAL A 3 -19.988 -22.904 -11.373 1.00 72.22 H new ATOM 0 HG13 VAL A 3 -19.343 -24.454 -11.961 1.00 72.22 H new ATOM 0 HG21 VAL A 3 -19.520 -25.886 -9.245 1.00 12.02 H new ATOM 0 HG22 VAL A 3 -18.093 -25.973 -10.305 1.00 12.02 H new ATOM 0 HG23 VAL A 3 -17.918 -25.426 -8.621 1.00 12.02 H new ATOM 53 N SER A 4 -18.427 -21.112 -9.989 1.00 52.55 N ATOM 54 CA SER A 4 -18.596 -19.724 -10.213 1.00 22.55 C ATOM 55 C SER A 4 -17.461 -19.037 -9.487 1.00 5.31 C ATOM 56 O SER A 4 -17.374 -19.094 -8.258 1.00 32.20 O ATOM 57 CB SER A 4 -19.954 -19.281 -9.680 1.00 21.30 C ATOM 58 OG SER A 4 -20.997 -20.008 -10.330 1.00 14.30 O ATOM 0 H SER A 4 -18.927 -21.470 -9.175 1.00 52.55 H new ATOM 0 HA SER A 4 -18.574 -19.471 -11.273 1.00 22.55 H new ATOM 0 HB2 SER A 4 -20.002 -19.445 -8.603 1.00 21.30 H new ATOM 0 HB3 SER A 4 -20.087 -18.212 -9.846 1.00 21.30 H new ATOM 0 HG SER A 4 -21.865 -19.718 -9.980 1.00 14.30 H new ATOM 64 N LEU A 5 -16.570 -18.455 -10.234 1.00 32.34 N ATOM 65 CA LEU A 5 -15.384 -17.875 -9.671 1.00 22.21 C ATOM 66 C LEU A 5 -15.661 -16.582 -8.938 1.00 62.20 C ATOM 67 O LEU A 5 -15.955 -15.547 -9.552 1.00 13.43 O ATOM 68 CB LEU A 5 -14.321 -17.668 -10.745 1.00 74.12 C ATOM 69 CG LEU A 5 -13.819 -18.928 -11.455 1.00 15.31 C ATOM 70 CD1 LEU A 5 -12.791 -18.564 -12.506 1.00 61.42 C ATOM 71 CD2 LEU A 5 -13.227 -19.912 -10.451 1.00 40.20 C ATOM 0 H LEU A 5 -16.643 -18.368 -11.248 1.00 32.34 H new ATOM 0 HA LEU A 5 -15.007 -18.583 -8.933 1.00 22.21 H new ATOM 0 HB2 LEU A 5 -14.722 -16.989 -11.497 1.00 74.12 H new ATOM 0 HB3 LEU A 5 -13.466 -17.169 -10.288 1.00 74.12 H new ATOM 0 HG LEU A 5 -14.666 -19.407 -11.946 1.00 15.31 H new ATOM 0 HD11 LEU A 5 -12.443 -19.469 -13.003 1.00 61.42 H new ATOM 0 HD12 LEU A 5 -13.242 -17.897 -13.241 1.00 61.42 H new ATOM 0 HD13 LEU A 5 -11.947 -18.063 -12.032 1.00 61.42 H new ATOM 0 HD21 LEU A 5 -12.876 -20.801 -10.976 1.00 40.20 H new ATOM 0 HD22 LEU A 5 -12.391 -19.443 -9.932 1.00 40.20 H new ATOM 0 HD23 LEU A 5 -13.990 -20.196 -9.727 1.00 40.20 H new ATOM 83 N SER A 6 -15.580 -16.648 -7.622 1.00 21.32 N ATOM 84 CA SER A 6 -15.705 -15.480 -6.789 1.00 61.42 C ATOM 85 C SER A 6 -14.519 -14.559 -7.055 1.00 45.42 C ATOM 86 O SER A 6 -13.532 -14.982 -7.661 1.00 54.20 O ATOM 87 CB SER A 6 -15.747 -15.905 -5.329 1.00 62.11 C ATOM 88 OG SER A 6 -16.835 -16.796 -5.106 1.00 53.30 O ATOM 0 H SER A 6 -15.426 -17.515 -7.107 1.00 21.32 H new ATOM 0 HA SER A 6 -16.627 -14.944 -7.017 1.00 61.42 H new ATOM 0 HB2 SER A 6 -14.809 -16.390 -5.057 1.00 62.11 H new ATOM 0 HB3 SER A 6 -15.849 -15.028 -4.690 1.00 62.11 H new ATOM 0 HG SER A 6 -16.851 -17.064 -4.163 1.00 53.30 H new ATOM 94 N TYR A 7 -14.596 -13.336 -6.616 1.00 24.24 N ATOM 95 CA TYR A 7 -13.558 -12.385 -6.929 1.00 54.12 C ATOM 96 C TYR A 7 -12.271 -12.701 -6.187 1.00 72.35 C ATOM 97 O TYR A 7 -12.198 -12.602 -4.960 1.00 53.31 O ATOM 98 CB TYR A 7 -14.037 -10.951 -6.700 1.00 3.42 C ATOM 99 CG TYR A 7 -15.296 -10.652 -7.491 1.00 70.03 C ATOM 100 CD1 TYR A 7 -15.273 -10.606 -8.878 1.00 24.43 C ATOM 101 CD2 TYR A 7 -16.509 -10.436 -6.851 1.00 0.04 C ATOM 102 CE1 TYR A 7 -16.422 -10.361 -9.600 1.00 21.11 C ATOM 103 CE2 TYR A 7 -17.659 -10.186 -7.567 1.00 63.00 C ATOM 104 CZ TYR A 7 -17.612 -10.154 -8.936 1.00 62.23 C ATOM 105 OH TYR A 7 -18.762 -9.913 -9.651 1.00 43.11 O ATOM 0 H TYR A 7 -15.358 -12.972 -6.045 1.00 24.24 H new ATOM 0 HA TYR A 7 -13.328 -12.472 -7.991 1.00 54.12 H new ATOM 0 HB2 TYR A 7 -14.228 -10.795 -5.638 1.00 3.42 H new ATOM 0 HB3 TYR A 7 -13.251 -10.253 -6.988 1.00 3.42 H new ATOM 0 HD1 TYR A 7 -14.341 -10.765 -9.400 1.00 24.43 H new ATOM 0 HD2 TYR A 7 -16.552 -10.464 -5.772 1.00 0.04 H new ATOM 0 HE1 TYR A 7 -16.390 -10.331 -10.679 1.00 21.11 H new ATOM 0 HE2 TYR A 7 -18.593 -10.016 -7.052 1.00 63.00 H new ATOM 0 HH TYR A 7 -19.512 -9.790 -9.032 1.00 43.11 H new ATOM 115 N ARG A 8 -11.278 -13.132 -6.939 1.00 33.13 N ATOM 116 CA ARG A 8 -9.994 -13.479 -6.390 1.00 42.11 C ATOM 117 C ARG A 8 -9.078 -12.283 -6.460 1.00 60.44 C ATOM 118 O ARG A 8 -9.078 -11.544 -7.457 1.00 3.03 O ATOM 119 CB ARG A 8 -9.380 -14.708 -7.098 1.00 3.54 C ATOM 120 CG ARG A 8 -9.189 -14.559 -8.602 1.00 31.24 C ATOM 121 CD ARG A 8 -8.599 -15.826 -9.220 1.00 43.32 C ATOM 122 NE ARG A 8 -8.425 -15.701 -10.677 1.00 75.41 N ATOM 123 CZ ARG A 8 -7.908 -16.645 -11.484 1.00 24.45 C ATOM 124 NH1 ARG A 8 -7.529 -17.818 -10.997 1.00 14.13 N ATOM 125 NH2 ARG A 8 -7.792 -16.413 -12.783 1.00 64.52 N ATOM 0 H ARG A 8 -11.345 -13.250 -7.950 1.00 33.13 H new ATOM 0 HA ARG A 8 -10.126 -13.761 -5.345 1.00 42.11 H new ATOM 0 HB2 ARG A 8 -8.413 -14.924 -6.644 1.00 3.54 H new ATOM 0 HB3 ARG A 8 -10.019 -15.572 -6.912 1.00 3.54 H new ATOM 0 HG2 ARG A 8 -10.147 -14.336 -9.071 1.00 31.24 H new ATOM 0 HG3 ARG A 8 -8.531 -13.714 -8.804 1.00 31.24 H new ATOM 0 HD2 ARG A 8 -7.636 -16.040 -8.757 1.00 43.32 H new ATOM 0 HD3 ARG A 8 -9.251 -16.672 -9.004 1.00 43.32 H new ATOM 0 HE ARG A 8 -8.721 -14.826 -11.110 1.00 75.41 H new ATOM 0 HH11 ARG A 8 -7.628 -18.013 -10.001 1.00 14.13 H new ATOM 0 HH12 ARG A 8 -7.138 -18.526 -11.619 1.00 14.13 H new ATOM 0 HH21 ARG A 8 -8.095 -15.519 -13.170 1.00 64.52 H new ATOM 0 HH22 ARG A 8 -7.400 -17.128 -13.396 1.00 64.52 H new ATOM 139 N CYS A 9 -8.323 -12.071 -5.433 1.00 14.43 N ATOM 140 CA CYS A 9 -7.496 -10.913 -5.370 1.00 32.10 C ATOM 141 C CYS A 9 -6.051 -11.294 -5.102 1.00 14.32 C ATOM 142 O CYS A 9 -5.782 -12.208 -4.311 1.00 61.52 O ATOM 143 CB CYS A 9 -8.032 -9.978 -4.293 1.00 24.51 C ATOM 144 SG CYS A 9 -9.801 -9.574 -4.528 1.00 51.53 S ATOM 0 H CYS A 9 -8.262 -12.688 -4.623 1.00 14.43 H new ATOM 0 HA CYS A 9 -7.518 -10.398 -6.330 1.00 32.10 H new ATOM 0 HB2 CYS A 9 -7.896 -10.440 -3.315 1.00 24.51 H new ATOM 0 HB3 CYS A 9 -7.450 -9.057 -4.294 1.00 24.51 H new ATOM 149 N PRO A 10 -5.105 -10.620 -5.803 1.00 30.23 N ATOM 150 CA PRO A 10 -3.648 -10.832 -5.659 1.00 13.32 C ATOM 151 C PRO A 10 -3.154 -10.903 -4.199 1.00 1.14 C ATOM 152 O PRO A 10 -2.260 -11.699 -3.873 1.00 54.24 O ATOM 153 CB PRO A 10 -3.068 -9.603 -6.373 1.00 24.41 C ATOM 154 CG PRO A 10 -4.037 -9.351 -7.462 1.00 30.23 C ATOM 155 CD PRO A 10 -5.388 -9.617 -6.863 1.00 12.13 C ATOM 0 HA PRO A 10 -3.341 -11.794 -6.070 1.00 13.32 H new ATOM 0 HB2 PRO A 10 -2.987 -8.749 -5.701 1.00 24.41 H new ATOM 0 HB3 PRO A 10 -2.069 -9.798 -6.762 1.00 24.41 H new ATOM 0 HG2 PRO A 10 -3.963 -8.326 -7.824 1.00 30.23 H new ATOM 0 HG3 PRO A 10 -3.849 -10.005 -8.314 1.00 30.23 H new ATOM 0 HD2 PRO A 10 -5.830 -8.710 -6.450 1.00 12.13 H new ATOM 0 HD3 PRO A 10 -6.087 -10.003 -7.605 1.00 12.13 H new ATOM 163 N CYS A 11 -3.714 -10.094 -3.342 1.00 1.25 N ATOM 164 CA CYS A 11 -3.309 -10.078 -1.966 1.00 42.04 C ATOM 165 C CYS A 11 -4.308 -10.761 -1.052 1.00 43.33 C ATOM 166 O CYS A 11 -5.389 -10.246 -0.785 1.00 60.55 O ATOM 167 CB CYS A 11 -3.021 -8.661 -1.497 1.00 31.42 C ATOM 168 SG CYS A 11 -1.594 -7.897 -2.308 1.00 40.44 S ATOM 0 H CYS A 11 -4.456 -9.434 -3.575 1.00 1.25 H new ATOM 0 HA CYS A 11 -2.387 -10.656 -1.907 1.00 42.04 H new ATOM 0 HB2 CYS A 11 -3.901 -8.044 -1.675 1.00 31.42 H new ATOM 0 HB3 CYS A 11 -2.852 -8.672 -0.420 1.00 31.42 H new ATOM 173 N ARG A 12 -3.942 -11.939 -0.591 1.00 55.33 N ATOM 174 CA ARG A 12 -4.738 -12.664 0.389 1.00 35.51 C ATOM 175 C ARG A 12 -4.334 -12.232 1.780 1.00 52.13 C ATOM 176 O ARG A 12 -5.079 -12.397 2.742 1.00 32.42 O ATOM 177 CB ARG A 12 -4.513 -14.167 0.253 1.00 31.43 C ATOM 178 CG ARG A 12 -4.988 -14.770 -1.052 1.00 73.00 C ATOM 179 CD ARG A 12 -6.498 -14.710 -1.184 1.00 61.45 C ATOM 180 NE ARG A 12 -7.173 -15.447 -0.101 1.00 0.24 N ATOM 181 CZ ARG A 12 -8.104 -16.399 -0.287 1.00 23.12 C ATOM 182 NH1 ARG A 12 -8.431 -16.794 -1.521 1.00 62.05 N ATOM 183 NH2 ARG A 12 -8.682 -16.974 0.757 1.00 32.12 N ATOM 0 H ARG A 12 -3.091 -12.422 -0.880 1.00 55.33 H new ATOM 0 HA ARG A 12 -5.791 -12.444 0.216 1.00 35.51 H new ATOM 0 HB2 ARG A 12 -3.448 -14.371 0.364 1.00 31.43 H new ATOM 0 HB3 ARG A 12 -5.021 -14.671 1.075 1.00 31.43 H new ATOM 0 HG2 ARG A 12 -4.529 -14.239 -1.886 1.00 73.00 H new ATOM 0 HG3 ARG A 12 -4.659 -15.807 -1.114 1.00 73.00 H new ATOM 0 HD2 ARG A 12 -6.823 -13.670 -1.172 1.00 61.45 H new ATOM 0 HD3 ARG A 12 -6.795 -15.126 -2.147 1.00 61.45 H new ATOM 0 HE ARG A 12 -6.915 -15.218 0.859 1.00 0.24 H new ATOM 0 HH11 ARG A 12 -7.973 -16.373 -2.329 1.00 62.05 H new ATOM 0 HH12 ARG A 12 -9.138 -17.517 -1.655 1.00 62.05 H new ATOM 0 HH21 ARG A 12 -8.421 -16.695 1.703 1.00 32.12 H new ATOM 0 HH22 ARG A 12 -9.388 -17.696 0.615 1.00 32.12 H new ATOM 197 N PHE A 13 -3.152 -11.672 1.872 1.00 60.33 N ATOM 198 CA PHE A 13 -2.603 -11.250 3.122 1.00 52.44 C ATOM 199 C PHE A 13 -2.032 -9.858 2.984 1.00 41.32 C ATOM 200 O PHE A 13 -1.430 -9.530 1.967 1.00 53.03 O ATOM 201 CB PHE A 13 -1.508 -12.239 3.605 1.00 1.14 C ATOM 202 CG PHE A 13 -0.302 -12.374 2.687 1.00 61.23 C ATOM 203 CD1 PHE A 13 -0.340 -13.206 1.578 1.00 31.21 C ATOM 204 CD2 PHE A 13 0.868 -11.671 2.949 1.00 43.23 C ATOM 205 CE1 PHE A 13 0.759 -13.331 0.750 1.00 5.20 C ATOM 206 CE2 PHE A 13 1.969 -11.791 2.124 1.00 63.33 C ATOM 207 CZ PHE A 13 1.915 -12.623 1.022 1.00 40.33 C ATOM 0 H PHE A 13 -2.545 -11.498 1.071 1.00 60.33 H new ATOM 0 HA PHE A 13 -3.398 -11.237 3.867 1.00 52.44 H new ATOM 0 HB2 PHE A 13 -1.162 -11.920 4.588 1.00 1.14 H new ATOM 0 HB3 PHE A 13 -1.960 -13.223 3.730 1.00 1.14 H new ATOM 0 HD1 PHE A 13 -1.239 -13.763 1.359 1.00 31.21 H new ATOM 0 HD2 PHE A 13 0.917 -11.021 3.810 1.00 43.23 H new ATOM 0 HE1 PHE A 13 0.715 -13.982 -0.110 1.00 5.20 H new ATOM 0 HE2 PHE A 13 2.870 -11.236 2.340 1.00 63.33 H new ATOM 0 HZ PHE A 13 2.774 -12.720 0.375 1.00 40.33 H new ATOM 217 N PHE A 14 -2.264 -9.044 3.968 1.00 10.04 N ATOM 218 CA PHE A 14 -1.718 -7.708 4.024 1.00 32.33 C ATOM 219 C PHE A 14 -1.050 -7.573 5.360 1.00 75.22 C ATOM 220 O PHE A 14 -1.521 -8.155 6.352 1.00 51.15 O ATOM 221 CB PHE A 14 -2.829 -6.654 3.950 1.00 13.05 C ATOM 222 CG PHE A 14 -3.752 -6.731 2.768 1.00 71.13 C ATOM 223 CD1 PHE A 14 -4.892 -7.518 2.821 1.00 41.54 C ATOM 224 CD2 PHE A 14 -3.495 -6.014 1.620 1.00 53.33 C ATOM 225 CE1 PHE A 14 -5.754 -7.588 1.751 1.00 20.01 C ATOM 226 CE2 PHE A 14 -4.353 -6.078 0.548 1.00 24.11 C ATOM 227 CZ PHE A 14 -5.487 -6.868 0.613 1.00 60.11 C ATOM 0 H PHE A 14 -2.846 -9.286 4.770 1.00 10.04 H new ATOM 0 HA PHE A 14 -1.035 -7.555 3.189 1.00 32.33 H new ATOM 0 HB2 PHE A 14 -3.430 -6.728 4.857 1.00 13.05 H new ATOM 0 HB3 PHE A 14 -2.364 -5.668 3.955 1.00 13.05 H new ATOM 0 HD1 PHE A 14 -5.107 -8.084 3.715 1.00 41.54 H new ATOM 0 HD2 PHE A 14 -2.611 -5.396 1.562 1.00 53.33 H new ATOM 0 HE1 PHE A 14 -6.637 -8.207 1.806 1.00 20.01 H new ATOM 0 HE2 PHE A 14 -4.142 -5.511 -0.346 1.00 24.11 H new ATOM 0 HZ PHE A 14 -6.161 -6.918 -0.230 1.00 60.11 H new ATOM 237 N GLU A 15 0.026 -6.863 5.409 1.00 2.41 N ATOM 238 CA GLU A 15 0.702 -6.634 6.643 1.00 12.33 C ATOM 239 C GLU A 15 0.046 -5.494 7.369 1.00 5.24 C ATOM 240 O GLU A 15 -0.059 -4.382 6.848 1.00 43.22 O ATOM 241 CB GLU A 15 2.174 -6.344 6.414 1.00 42.00 C ATOM 242 CG GLU A 15 2.935 -7.487 5.808 1.00 65.12 C ATOM 243 CD GLU A 15 3.016 -8.698 6.715 1.00 72.41 C ATOM 244 OE1 GLU A 15 2.118 -9.559 6.674 1.00 72.15 O ATOM 245 OE2 GLU A 15 3.990 -8.802 7.491 1.00 44.31 O ATOM 0 H GLU A 15 0.462 -6.425 4.597 1.00 2.41 H new ATOM 0 HA GLU A 15 0.635 -7.535 7.252 1.00 12.33 H new ATOM 0 HB2 GLU A 15 2.265 -5.475 5.763 1.00 42.00 H new ATOM 0 HB3 GLU A 15 2.634 -6.079 7.366 1.00 42.00 H new ATOM 0 HG2 GLU A 15 2.460 -7.775 4.870 1.00 65.12 H new ATOM 0 HG3 GLU A 15 3.944 -7.155 5.565 1.00 65.12 H new ATOM 252 N SER A 16 -0.394 -5.778 8.549 1.00 42.54 N ATOM 253 CA SER A 16 -1.062 -4.804 9.378 1.00 42.20 C ATOM 254 C SER A 16 -0.034 -4.111 10.263 1.00 22.53 C ATOM 255 O SER A 16 -0.338 -3.176 10.988 1.00 53.13 O ATOM 256 CB SER A 16 -2.122 -5.505 10.224 1.00 60.01 C ATOM 257 OG SER A 16 -3.027 -6.231 9.391 1.00 25.34 O ATOM 0 H SER A 16 -0.304 -6.699 8.978 1.00 42.54 H new ATOM 0 HA SER A 16 -1.552 -4.053 8.758 1.00 42.20 H new ATOM 0 HB2 SER A 16 -1.643 -6.184 10.929 1.00 60.01 H new ATOM 0 HB3 SER A 16 -2.671 -4.770 10.813 1.00 60.01 H new ATOM 0 HG SER A 16 -3.699 -6.676 9.948 1.00 25.34 H new ATOM 263 N HIS A 17 1.177 -4.608 10.209 1.00 10.32 N ATOM 264 CA HIS A 17 2.288 -4.040 10.923 1.00 75.14 C ATOM 265 C HIS A 17 3.436 -3.826 9.986 1.00 73.21 C ATOM 266 O HIS A 17 4.172 -4.762 9.656 1.00 23.13 O ATOM 267 CB HIS A 17 2.717 -4.901 12.123 1.00 2.14 C ATOM 268 CG HIS A 17 1.731 -4.916 13.245 1.00 1.12 C ATOM 269 ND1 HIS A 17 1.785 -4.031 14.282 1.00 41.00 N ATOM 270 CD2 HIS A 17 0.664 -5.705 13.486 1.00 71.42 C ATOM 271 CE1 HIS A 17 0.806 -4.262 15.112 1.00 32.42 C ATOM 272 NE2 HIS A 17 0.102 -5.273 14.657 1.00 3.43 N ATOM 0 H HIS A 17 1.420 -5.432 9.658 1.00 10.32 H new ATOM 0 HA HIS A 17 1.966 -3.081 11.327 1.00 75.14 H new ATOM 0 HB2 HIS A 17 2.880 -5.924 11.783 1.00 2.14 H new ATOM 0 HB3 HIS A 17 3.672 -4.533 12.498 1.00 2.14 H new ATOM 0 HD2 HIS A 17 0.318 -6.523 12.871 1.00 71.42 H new ATOM 0 HE1 HIS A 17 0.607 -3.714 16.021 1.00 32.42 H new ATOM 0 HE2 HIS A 17 -0.725 -5.670 15.102 1.00 3.43 H new ATOM 281 N VAL A 18 3.557 -2.617 9.504 1.00 34.12 N ATOM 282 CA VAL A 18 4.630 -2.248 8.619 1.00 62.11 C ATOM 283 C VAL A 18 5.216 -0.951 9.139 1.00 55.23 C ATOM 284 O VAL A 18 4.490 -0.139 9.723 1.00 73.14 O ATOM 285 CB VAL A 18 4.144 -2.041 7.141 1.00 43.24 C ATOM 286 CG1 VAL A 18 5.319 -1.767 6.206 1.00 3.01 C ATOM 287 CG2 VAL A 18 3.344 -3.230 6.633 1.00 21.41 C ATOM 0 H VAL A 18 2.911 -1.857 9.715 1.00 34.12 H new ATOM 0 HA VAL A 18 5.365 -3.052 8.601 1.00 62.11 H new ATOM 0 HB VAL A 18 3.488 -1.170 7.147 1.00 43.24 H new ATOM 0 HG11 VAL A 18 4.950 -1.628 5.190 1.00 3.01 H new ATOM 0 HG12 VAL A 18 5.839 -0.866 6.530 1.00 3.01 H new ATOM 0 HG13 VAL A 18 6.008 -2.612 6.230 1.00 3.01 H new ATOM 0 HG21 VAL A 18 3.028 -3.044 5.607 1.00 21.41 H new ATOM 0 HG22 VAL A 18 3.964 -4.126 6.665 1.00 21.41 H new ATOM 0 HG23 VAL A 18 2.466 -3.374 7.263 1.00 21.41 H new ATOM 297 N ALA A 19 6.497 -0.764 8.971 1.00 33.23 N ATOM 298 CA ALA A 19 7.138 0.433 9.403 1.00 5.20 C ATOM 299 C ALA A 19 7.532 1.260 8.196 1.00 53.14 C ATOM 300 O ALA A 19 8.047 0.733 7.208 1.00 11.44 O ATOM 301 CB ALA A 19 8.356 0.112 10.256 1.00 25.21 C ATOM 0 H ALA A 19 7.119 -1.441 8.530 1.00 33.23 H new ATOM 0 HA ALA A 19 6.443 1.008 10.016 1.00 5.20 H new ATOM 0 HB1 ALA A 19 8.831 1.040 10.576 1.00 25.21 H new ATOM 0 HB2 ALA A 19 8.047 -0.458 11.132 1.00 25.21 H new ATOM 0 HB3 ALA A 19 9.064 -0.476 9.672 1.00 25.21 H new ATOM 307 N ARG A 20 7.298 2.544 8.283 1.00 54.40 N ATOM 308 CA ARG A 20 7.617 3.494 7.216 1.00 2.44 C ATOM 309 C ARG A 20 9.119 3.450 6.902 1.00 62.34 C ATOM 310 O ARG A 20 9.542 3.645 5.766 1.00 2.01 O ATOM 311 CB ARG A 20 7.218 4.892 7.699 1.00 42.53 C ATOM 312 CG ARG A 20 7.489 6.060 6.763 1.00 10.31 C ATOM 313 CD ARG A 20 6.655 6.002 5.505 1.00 44.30 C ATOM 314 NE ARG A 20 6.719 7.265 4.782 1.00 23.33 N ATOM 315 CZ ARG A 20 5.735 8.180 4.781 1.00 13.22 C ATOM 316 NH1 ARG A 20 4.565 7.905 5.361 1.00 61.44 N ATOM 317 NH2 ARG A 20 5.920 9.356 4.186 1.00 5.25 N ATOM 0 H ARG A 20 6.875 2.978 9.103 1.00 54.40 H new ATOM 0 HA ARG A 20 7.075 3.239 6.305 1.00 2.44 H new ATOM 0 HB2 ARG A 20 6.151 4.880 7.922 1.00 42.53 H new ATOM 0 HB3 ARG A 20 7.737 5.085 8.638 1.00 42.53 H new ATOM 0 HG2 ARG A 20 7.286 6.995 7.286 1.00 10.31 H new ATOM 0 HG3 ARG A 20 8.545 6.068 6.494 1.00 10.31 H new ATOM 0 HD2 ARG A 20 7.009 5.194 4.866 1.00 44.30 H new ATOM 0 HD3 ARG A 20 5.620 5.776 5.760 1.00 44.30 H new ATOM 0 HE ARG A 20 7.562 7.467 4.244 1.00 23.33 H new ATOM 0 HH11 ARG A 20 4.417 6.999 5.806 1.00 61.44 H new ATOM 0 HH12 ARG A 20 3.819 8.601 5.359 1.00 61.44 H new ATOM 0 HH21 ARG A 20 6.809 9.563 3.731 1.00 5.25 H new ATOM 0 HH22 ARG A 20 5.173 10.050 4.185 1.00 5.25 H new ATOM 331 N ALA A 21 9.898 3.178 7.925 1.00 64.41 N ATOM 332 CA ALA A 21 11.334 3.123 7.815 1.00 64.33 C ATOM 333 C ALA A 21 11.864 1.768 7.304 1.00 10.10 C ATOM 334 O ALA A 21 13.045 1.661 6.981 1.00 44.42 O ATOM 335 CB ALA A 21 11.972 3.463 9.154 1.00 71.22 C ATOM 0 H ALA A 21 9.547 2.988 8.864 1.00 64.41 H new ATOM 0 HA ALA A 21 11.614 3.863 7.065 1.00 64.33 H new ATOM 0 HB1 ALA A 21 13.057 3.419 9.062 1.00 71.22 H new ATOM 0 HB2 ALA A 21 11.674 4.467 9.455 1.00 71.22 H new ATOM 0 HB3 ALA A 21 11.643 2.746 9.906 1.00 71.22 H new ATOM 341 N ASN A 22 11.028 0.730 7.238 1.00 70.31 N ATOM 342 CA ASN A 22 11.541 -0.577 6.859 1.00 15.14 C ATOM 343 C ASN A 22 11.210 -0.910 5.405 1.00 60.22 C ATOM 344 O ASN A 22 11.768 -1.856 4.820 1.00 34.15 O ATOM 345 CB ASN A 22 11.029 -1.656 7.843 1.00 32.24 C ATOM 346 CG ASN A 22 9.776 -2.409 7.454 1.00 21.51 C ATOM 347 OD1 ASN A 22 8.664 -1.974 7.691 1.00 72.51 O ATOM 348 ND2 ASN A 22 9.960 -3.584 6.949 1.00 73.12 N ATOM 0 H ASN A 22 10.028 0.769 7.435 1.00 70.31 H new ATOM 0 HA ASN A 22 12.629 -0.557 6.926 1.00 15.14 H new ATOM 0 HB2 ASN A 22 11.827 -2.383 7.992 1.00 32.24 H new ATOM 0 HB3 ASN A 22 10.850 -1.177 8.806 1.00 32.24 H new ATOM 0 HD21 ASN A 22 9.159 -4.179 6.736 1.00 73.12 H new ATOM 0 HD22 ASN A 22 10.906 -3.917 6.763 1.00 73.12 H new ATOM 355 N VAL A 23 10.338 -0.118 4.820 1.00 50.32 N ATOM 356 CA VAL A 23 9.914 -0.311 3.449 1.00 43.51 C ATOM 357 C VAL A 23 10.753 0.560 2.487 1.00 21.34 C ATOM 358 O VAL A 23 11.093 1.703 2.811 1.00 41.33 O ATOM 359 CB VAL A 23 8.388 -0.009 3.289 1.00 52.24 C ATOM 360 CG1 VAL A 23 8.045 1.428 3.670 1.00 75.21 C ATOM 361 CG2 VAL A 23 7.910 -0.324 1.890 1.00 21.30 C ATOM 0 H VAL A 23 9.902 0.680 5.282 1.00 50.32 H new ATOM 0 HA VAL A 23 10.079 -1.356 3.188 1.00 43.51 H new ATOM 0 HB VAL A 23 7.861 -0.663 3.984 1.00 52.24 H new ATOM 0 HG11 VAL A 23 6.975 1.592 3.543 1.00 75.21 H new ATOM 0 HG12 VAL A 23 8.319 1.604 4.710 1.00 75.21 H new ATOM 0 HG13 VAL A 23 8.596 2.116 3.029 1.00 75.21 H new ATOM 0 HG21 VAL A 23 6.845 -0.103 1.811 1.00 21.30 H new ATOM 0 HG22 VAL A 23 8.461 0.284 1.172 1.00 21.30 H new ATOM 0 HG23 VAL A 23 8.079 -1.380 1.677 1.00 21.30 H new ATOM 371 N LYS A 24 11.103 0.009 1.326 1.00 73.22 N ATOM 372 CA LYS A 24 11.897 0.739 0.339 1.00 33.51 C ATOM 373 C LYS A 24 11.026 1.352 -0.734 1.00 52.43 C ATOM 374 O LYS A 24 11.276 2.464 -1.196 1.00 43.45 O ATOM 375 CB LYS A 24 12.925 -0.172 -0.369 1.00 63.34 C ATOM 376 CG LYS A 24 12.294 -1.350 -1.114 1.00 32.53 C ATOM 377 CD LYS A 24 13.183 -1.929 -2.186 1.00 43.42 C ATOM 378 CE LYS A 24 13.468 -0.890 -3.250 1.00 5.13 C ATOM 379 NZ LYS A 24 14.266 -1.438 -4.364 1.00 34.43 N ATOM 0 H LYS A 24 10.850 -0.939 1.046 1.00 73.22 H new ATOM 0 HA LYS A 24 12.414 1.517 0.900 1.00 33.51 H new ATOM 0 HB2 LYS A 24 13.501 0.426 -1.075 1.00 63.34 H new ATOM 0 HB3 LYS A 24 13.627 -0.556 0.371 1.00 63.34 H new ATOM 0 HG2 LYS A 24 12.046 -2.132 -0.397 1.00 32.53 H new ATOM 0 HG3 LYS A 24 11.358 -1.024 -1.567 1.00 32.53 H new ATOM 0 HD2 LYS A 24 14.118 -2.274 -1.745 1.00 43.42 H new ATOM 0 HD3 LYS A 24 12.703 -2.798 -2.636 1.00 43.42 H new ATOM 0 HE2 LYS A 24 12.526 -0.501 -3.637 1.00 5.13 H new ATOM 0 HE3 LYS A 24 14.000 -0.051 -2.803 1.00 5.13 H new ATOM 0 HZ1 LYS A 24 14.437 -0.692 -5.068 1.00 34.43 H new ATOM 0 HZ2 LYS A 24 15.176 -1.786 -4.001 1.00 34.43 H new ATOM 0 HZ3 LYS A 24 13.748 -2.222 -4.809 1.00 34.43 H new ATOM 393 N HIS A 25 10.008 0.633 -1.115 1.00 52.30 N ATOM 394 CA HIS A 25 9.242 0.969 -2.280 1.00 52.42 C ATOM 395 C HIS A 25 7.826 0.483 -2.163 1.00 32.10 C ATOM 396 O HIS A 25 7.588 -0.682 -1.861 1.00 13.34 O ATOM 397 CB HIS A 25 9.952 0.339 -3.499 1.00 64.23 C ATOM 398 CG HIS A 25 9.212 0.358 -4.804 1.00 53.41 C ATOM 399 ND1 HIS A 25 8.670 1.481 -5.380 1.00 55.44 N ATOM 400 CD2 HIS A 25 8.929 -0.654 -5.622 1.00 71.04 C ATOM 401 CE1 HIS A 25 8.071 1.148 -6.506 1.00 13.53 C ATOM 402 NE2 HIS A 25 8.214 -0.147 -6.680 1.00 21.14 N ATOM 0 H HIS A 25 9.686 -0.202 -0.626 1.00 52.30 H new ATOM 0 HA HIS A 25 9.185 2.052 -2.393 1.00 52.42 H new ATOM 0 HB2 HIS A 25 10.902 0.854 -3.641 1.00 64.23 H new ATOM 0 HB3 HIS A 25 10.185 -0.698 -3.257 1.00 64.23 H new ATOM 0 HD2 HIS A 25 9.211 -1.687 -5.479 1.00 71.04 H new ATOM 0 HE1 HIS A 25 7.552 1.823 -7.171 1.00 13.53 H new ATOM 0 HE2 HIS A 25 7.854 -0.685 -7.468 1.00 21.14 H new ATOM 411 N LEU A 26 6.908 1.379 -2.410 1.00 24.12 N ATOM 412 CA LEU A 26 5.501 1.097 -2.381 1.00 73.41 C ATOM 413 C LEU A 26 4.995 1.073 -3.807 1.00 4.42 C ATOM 414 O LEU A 26 5.501 1.807 -4.657 1.00 51.45 O ATOM 415 CB LEU A 26 4.763 2.205 -1.616 1.00 14.41 C ATOM 416 CG LEU A 26 5.155 2.424 -0.150 1.00 35.51 C ATOM 417 CD1 LEU A 26 4.424 3.623 0.424 1.00 24.21 C ATOM 418 CD2 LEU A 26 4.836 1.200 0.670 1.00 35.43 C ATOM 0 H LEU A 26 7.125 2.348 -2.642 1.00 24.12 H new ATOM 0 HA LEU A 26 5.326 0.140 -1.889 1.00 73.41 H new ATOM 0 HB2 LEU A 26 4.915 3.143 -2.150 1.00 14.41 H new ATOM 0 HB3 LEU A 26 3.696 1.987 -1.651 1.00 14.41 H new ATOM 0 HG LEU A 26 6.228 2.610 -0.112 1.00 35.51 H new ATOM 0 HD11 LEU A 26 4.715 3.762 1.465 1.00 24.21 H new ATOM 0 HD12 LEU A 26 4.682 4.514 -0.148 1.00 24.21 H new ATOM 0 HD13 LEU A 26 3.349 3.455 0.367 1.00 24.21 H new ATOM 0 HD21 LEU A 26 5.121 1.373 1.708 1.00 35.43 H new ATOM 0 HD22 LEU A 26 3.767 0.995 0.616 1.00 35.43 H new ATOM 0 HD23 LEU A 26 5.389 0.346 0.279 1.00 35.43 H new ATOM 430 N LYS A 27 4.058 0.225 -4.079 1.00 25.34 N ATOM 431 CA LYS A 27 3.424 0.166 -5.365 1.00 13.43 C ATOM 432 C LYS A 27 2.020 -0.336 -5.113 1.00 72.52 C ATOM 433 O LYS A 27 1.826 -1.495 -4.791 1.00 41.24 O ATOM 434 CB LYS A 27 4.172 -0.820 -6.283 1.00 13.25 C ATOM 435 CG LYS A 27 4.068 -0.530 -7.789 1.00 11.01 C ATOM 436 CD LYS A 27 2.648 -0.564 -8.328 1.00 34.44 C ATOM 437 CE LYS A 27 2.036 -1.938 -8.200 1.00 62.22 C ATOM 438 NZ LYS A 27 0.652 -1.972 -8.731 1.00 22.11 N ATOM 0 H LYS A 27 3.703 -0.457 -3.409 1.00 25.34 H new ATOM 0 HA LYS A 27 3.425 1.140 -5.854 1.00 13.43 H new ATOM 0 HB2 LYS A 27 5.225 -0.822 -6.003 1.00 13.25 H new ATOM 0 HB3 LYS A 27 3.790 -1.824 -6.097 1.00 13.25 H new ATOM 0 HG2 LYS A 27 4.499 0.451 -7.990 1.00 11.01 H new ATOM 0 HG3 LYS A 27 4.669 -1.260 -8.331 1.00 11.01 H new ATOM 0 HD2 LYS A 27 2.036 0.159 -7.788 1.00 34.44 H new ATOM 0 HD3 LYS A 27 2.649 -0.262 -9.375 1.00 34.44 H new ATOM 0 HE2 LYS A 27 2.650 -2.661 -8.737 1.00 62.22 H new ATOM 0 HE3 LYS A 27 2.032 -2.239 -7.152 1.00 62.22 H new ATOM 0 HZ1 LYS A 27 0.270 -2.935 -8.642 1.00 22.11 H new ATOM 0 HZ2 LYS A 27 0.057 -1.312 -8.191 1.00 22.11 H new ATOM 0 HZ3 LYS A 27 0.658 -1.693 -9.733 1.00 22.11 H new ATOM 452 N ILE A 28 1.061 0.509 -5.231 1.00 15.53 N ATOM 453 CA ILE A 28 -0.285 0.108 -4.904 1.00 31.23 C ATOM 454 C ILE A 28 -0.995 -0.515 -6.120 1.00 51.55 C ATOM 455 O ILE A 28 -0.854 -0.048 -7.253 1.00 24.44 O ATOM 456 CB ILE A 28 -1.120 1.260 -4.262 1.00 65.42 C ATOM 457 CG1 ILE A 28 -0.343 1.858 -3.076 1.00 34.22 C ATOM 458 CG2 ILE A 28 -2.449 0.713 -3.759 1.00 52.52 C ATOM 459 CD1 ILE A 28 -1.074 2.951 -2.307 1.00 2.15 C ATOM 0 H ILE A 28 1.166 1.473 -5.546 1.00 15.53 H new ATOM 0 HA ILE A 28 -0.206 -0.665 -4.139 1.00 31.23 H new ATOM 0 HB ILE A 28 -1.302 2.030 -5.012 1.00 65.42 H new ATOM 0 HG12 ILE A 28 -0.093 1.054 -2.384 1.00 34.22 H new ATOM 0 HG13 ILE A 28 0.598 2.264 -3.447 1.00 34.22 H new ATOM 0 HG21 ILE A 28 -3.029 1.520 -3.312 1.00 52.52 H new ATOM 0 HG22 ILE A 28 -3.006 0.286 -4.593 1.00 52.52 H new ATOM 0 HG23 ILE A 28 -2.265 -0.059 -3.012 1.00 52.52 H new ATOM 0 HD11 ILE A 28 -0.443 3.307 -1.492 1.00 2.15 H new ATOM 0 HD12 ILE A 28 -1.300 3.779 -2.979 1.00 2.15 H new ATOM 0 HD13 ILE A 28 -2.002 2.550 -1.899 1.00 2.15 H new ATOM 471 N LEU A 29 -1.681 -1.602 -5.874 1.00 20.35 N ATOM 472 CA LEU A 29 -2.420 -2.355 -6.860 1.00 41.31 C ATOM 473 C LEU A 29 -3.920 -2.243 -6.589 1.00 31.24 C ATOM 474 O LEU A 29 -4.447 -2.791 -5.621 1.00 12.32 O ATOM 475 CB LEU A 29 -1.961 -3.833 -6.837 1.00 32.20 C ATOM 476 CG LEU A 29 -2.742 -4.834 -7.706 1.00 62.33 C ATOM 477 CD1 LEU A 29 -2.830 -4.363 -9.150 1.00 35.54 C ATOM 478 CD2 LEU A 29 -2.060 -6.187 -7.647 1.00 11.34 C ATOM 0 H LEU A 29 -1.744 -2.006 -4.939 1.00 20.35 H new ATOM 0 HA LEU A 29 -2.224 -1.947 -7.851 1.00 41.31 H new ATOM 0 HB2 LEU A 29 -0.916 -3.865 -7.144 1.00 32.20 H new ATOM 0 HB3 LEU A 29 -2.001 -4.181 -5.805 1.00 32.20 H new ATOM 0 HG LEU A 29 -3.757 -4.911 -7.316 1.00 62.33 H new ATOM 0 HD11 LEU A 29 -3.388 -5.092 -9.737 1.00 35.54 H new ATOM 0 HD12 LEU A 29 -3.340 -3.400 -9.188 1.00 35.54 H new ATOM 0 HD13 LEU A 29 -1.826 -4.258 -9.560 1.00 35.54 H new ATOM 0 HD21 LEU A 29 -2.611 -6.899 -8.262 1.00 11.34 H new ATOM 0 HD22 LEU A 29 -1.040 -6.097 -8.021 1.00 11.34 H new ATOM 0 HD23 LEU A 29 -2.038 -6.539 -6.616 1.00 11.34 H new ATOM 490 N ASN A 30 -4.588 -1.523 -7.416 1.00 43.41 N ATOM 491 CA ASN A 30 -6.009 -1.349 -7.270 1.00 12.24 C ATOM 492 C ASN A 30 -6.739 -2.399 -8.092 1.00 62.52 C ATOM 493 O ASN A 30 -6.408 -2.625 -9.258 1.00 54.23 O ATOM 494 CB ASN A 30 -6.434 0.079 -7.689 1.00 50.43 C ATOM 495 CG ASN A 30 -6.127 0.409 -9.147 1.00 74.04 C ATOM 496 OD1 ASN A 30 -5.039 0.894 -9.481 1.00 21.04 O ATOM 497 ND2 ASN A 30 -7.069 0.165 -10.013 1.00 1.01 N ATOM 0 H ASN A 30 -4.179 -1.035 -8.213 1.00 43.41 H new ATOM 0 HA ASN A 30 -6.276 -1.477 -6.221 1.00 12.24 H new ATOM 0 HB2 ASN A 30 -7.504 0.195 -7.517 1.00 50.43 H new ATOM 0 HB3 ASN A 30 -5.928 0.801 -7.048 1.00 50.43 H new ATOM 0 HD21 ASN A 30 -6.921 0.374 -11.000 1.00 1.01 H new ATOM 0 HD22 ASN A 30 -7.955 -0.236 -9.704 1.00 1.01 H new ATOM 504 N THR A 31 -7.690 -3.068 -7.495 1.00 10.05 N ATOM 505 CA THR A 31 -8.462 -4.031 -8.215 1.00 73.42 C ATOM 506 C THR A 31 -9.939 -3.607 -8.217 1.00 72.45 C ATOM 507 O THR A 31 -10.556 -3.508 -7.150 1.00 12.34 O ATOM 508 CB THR A 31 -8.292 -5.445 -7.635 1.00 23.22 C ATOM 509 OG1 THR A 31 -6.896 -5.785 -7.617 1.00 15.14 O ATOM 510 CG2 THR A 31 -9.039 -6.473 -8.479 1.00 74.11 C ATOM 0 H THR A 31 -7.944 -2.960 -6.513 1.00 10.05 H new ATOM 0 HA THR A 31 -8.100 -4.066 -9.242 1.00 73.42 H new ATOM 0 HB THR A 31 -8.701 -5.455 -6.625 1.00 23.22 H new ATOM 0 HG1 THR A 31 -6.797 -6.758 -7.558 1.00 15.14 H new ATOM 0 HG21 THR A 31 -8.903 -7.465 -8.048 1.00 74.11 H new ATOM 0 HG22 THR A 31 -10.101 -6.227 -8.496 1.00 74.11 H new ATOM 0 HG23 THR A 31 -8.647 -6.462 -9.496 1.00 74.11 H new ATOM 518 N PRO A 32 -10.487 -3.392 -9.446 1.00 70.03 N ATOM 519 CA PRO A 32 -11.848 -2.853 -9.773 1.00 12.11 C ATOM 520 C PRO A 32 -13.008 -3.064 -8.798 1.00 35.31 C ATOM 521 O PRO A 32 -13.922 -2.232 -8.740 1.00 43.23 O ATOM 522 CB PRO A 32 -12.150 -3.659 -11.019 1.00 34.01 C ATOM 523 CG PRO A 32 -10.879 -3.593 -11.774 1.00 61.34 C ATOM 524 CD PRO A 32 -9.783 -3.698 -10.722 1.00 4.31 C ATOM 0 HA PRO A 32 -11.795 -1.765 -9.807 1.00 12.11 H new ATOM 0 HB2 PRO A 32 -12.424 -4.686 -10.779 1.00 34.01 H new ATOM 0 HB3 PRO A 32 -12.978 -3.232 -11.585 1.00 34.01 H new ATOM 0 HG2 PRO A 32 -10.809 -4.405 -12.498 1.00 61.34 H new ATOM 0 HG3 PRO A 32 -10.801 -2.660 -12.332 1.00 61.34 H new ATOM 0 HD2 PRO A 32 -9.338 -4.693 -10.705 1.00 4.31 H new ATOM 0 HD3 PRO A 32 -8.976 -2.991 -10.913 1.00 4.31 H new ATOM 532 N ASN A 33 -12.989 -4.115 -8.051 1.00 54.42 N ATOM 533 CA ASN A 33 -14.171 -4.525 -7.348 1.00 12.31 C ATOM 534 C ASN A 33 -13.785 -5.473 -6.264 1.00 63.22 C ATOM 535 O ASN A 33 -14.559 -6.321 -5.828 1.00 62.41 O ATOM 536 CB ASN A 33 -15.142 -5.169 -8.359 1.00 43.20 C ATOM 537 CG ASN A 33 -14.610 -6.428 -9.046 1.00 12.43 C ATOM 538 OD1 ASN A 33 -13.398 -6.655 -9.158 1.00 72.25 O ATOM 539 ND2 ASN A 33 -15.497 -7.181 -9.594 1.00 4.04 N ATOM 0 H ASN A 33 -12.173 -4.710 -7.907 1.00 54.42 H new ATOM 0 HA ASN A 33 -14.673 -3.675 -6.885 1.00 12.31 H new ATOM 0 HB2 ASN A 33 -16.069 -5.418 -7.843 1.00 43.20 H new ATOM 0 HB3 ASN A 33 -15.390 -4.432 -9.123 1.00 43.20 H new ATOM 0 HD21 ASN A 33 -15.210 -7.993 -10.140 1.00 4.04 H new ATOM 0 HD22 ASN A 33 -16.488 -6.966 -9.482 1.00 4.04 H new ATOM 546 N CYS A 34 -12.597 -5.287 -5.802 1.00 13.20 N ATOM 547 CA CYS A 34 -12.078 -6.064 -4.745 1.00 65.41 C ATOM 548 C CYS A 34 -11.772 -5.166 -3.611 1.00 33.14 C ATOM 549 O CYS A 34 -12.489 -5.153 -2.601 1.00 4.43 O ATOM 550 CB CYS A 34 -10.811 -6.800 -5.171 1.00 64.42 C ATOM 551 SG CYS A 34 -9.982 -7.703 -3.820 1.00 53.55 S ATOM 0 H CYS A 34 -11.954 -4.579 -6.157 1.00 13.20 H new ATOM 0 HA CYS A 34 -12.818 -6.811 -4.456 1.00 65.41 H new ATOM 0 HB2 CYS A 34 -11.063 -7.505 -5.963 1.00 64.42 H new ATOM 0 HB3 CYS A 34 -10.111 -6.080 -5.595 1.00 64.42 H new ATOM 556 N ALA A 35 -10.752 -4.351 -3.811 1.00 12.51 N ATOM 557 CA ALA A 35 -10.213 -3.504 -2.805 1.00 31.32 C ATOM 558 C ALA A 35 -8.981 -2.829 -3.346 1.00 63.30 C ATOM 559 O ALA A 35 -8.579 -3.075 -4.504 1.00 20.12 O ATOM 560 CB ALA A 35 -9.815 -4.359 -1.637 1.00 22.03 C ATOM 0 H ALA A 35 -10.274 -4.270 -4.709 1.00 12.51 H new ATOM 0 HA ALA A 35 -10.947 -2.757 -2.504 1.00 31.32 H new ATOM 0 HB1 ALA A 35 -9.398 -3.730 -0.851 1.00 22.03 H new ATOM 0 HB2 ALA A 35 -10.691 -4.884 -1.255 1.00 22.03 H new ATOM 0 HB3 ALA A 35 -9.067 -5.085 -1.956 1.00 22.03 H new ATOM 566 N LEU A 36 -8.380 -2.005 -2.528 1.00 31.40 N ATOM 567 CA LEU A 36 -7.186 -1.371 -2.831 1.00 52.23 C ATOM 568 C LEU A 36 -6.084 -2.157 -2.115 1.00 2.42 C ATOM 569 O LEU A 36 -6.085 -2.256 -0.884 1.00 1.42 O ATOM 570 CB LEU A 36 -7.269 0.048 -2.311 1.00 24.01 C ATOM 571 CG LEU A 36 -6.070 0.882 -2.562 1.00 61.54 C ATOM 572 CD1 LEU A 36 -5.878 1.118 -4.060 1.00 61.04 C ATOM 573 CD2 LEU A 36 -6.111 2.176 -1.782 1.00 13.23 C ATOM 0 H LEU A 36 -8.747 -1.768 -1.606 1.00 31.40 H new ATOM 0 HA LEU A 36 -6.981 -1.336 -3.901 1.00 52.23 H new ATOM 0 HB2 LEU A 36 -8.132 0.535 -2.765 1.00 24.01 H new ATOM 0 HB3 LEU A 36 -7.450 0.014 -1.237 1.00 24.01 H new ATOM 0 HG LEU A 36 -5.200 0.334 -2.201 1.00 61.54 H new ATOM 0 HD11 LEU A 36 -4.992 1.732 -4.221 1.00 61.04 H new ATOM 0 HD12 LEU A 36 -5.752 0.161 -4.566 1.00 61.04 H new ATOM 0 HD13 LEU A 36 -6.752 1.629 -4.463 1.00 61.04 H new ATOM 0 HD21 LEU A 36 -5.214 2.758 -1.995 1.00 13.23 H new ATOM 0 HD22 LEU A 36 -6.992 2.748 -2.073 1.00 13.23 H new ATOM 0 HD23 LEU A 36 -6.157 1.957 -0.715 1.00 13.23 H new ATOM 585 N GLN A 37 -5.201 -2.740 -2.867 1.00 62.31 N ATOM 586 CA GLN A 37 -4.171 -3.601 -2.323 1.00 65.22 C ATOM 587 C GLN A 37 -2.819 -2.958 -2.531 1.00 4.00 C ATOM 588 O GLN A 37 -2.486 -2.587 -3.617 1.00 1.44 O ATOM 589 CB GLN A 37 -4.236 -4.943 -3.051 1.00 11.12 C ATOM 590 CG GLN A 37 -5.598 -5.612 -2.939 1.00 14.41 C ATOM 591 CD GLN A 37 -5.752 -6.805 -3.842 1.00 52.22 C ATOM 592 OE1 GLN A 37 -5.456 -7.937 -3.480 1.00 24.41 O ATOM 593 NE2 GLN A 37 -6.216 -6.557 -5.028 1.00 44.34 N ATOM 0 H GLN A 37 -5.166 -2.638 -3.881 1.00 62.31 H new ATOM 0 HA GLN A 37 -4.323 -3.754 -1.255 1.00 65.22 H new ATOM 0 HB2 GLN A 37 -3.997 -4.792 -4.104 1.00 11.12 H new ATOM 0 HB3 GLN A 37 -3.475 -5.609 -2.644 1.00 11.12 H new ATOM 0 HG2 GLN A 37 -5.758 -5.924 -1.907 1.00 14.41 H new ATOM 0 HG3 GLN A 37 -6.373 -4.883 -3.176 1.00 14.41 H new ATOM 0 HE21 GLN A 37 -6.452 -5.601 -5.294 1.00 44.34 H new ATOM 0 HE22 GLN A 37 -6.345 -7.318 -5.695 1.00 44.34 H new ATOM 602 N ILE A 38 -2.057 -2.815 -1.506 1.00 52.30 N ATOM 603 CA ILE A 38 -0.768 -2.173 -1.636 1.00 4.41 C ATOM 604 C ILE A 38 0.308 -3.235 -1.699 1.00 72.31 C ATOM 605 O ILE A 38 0.224 -4.214 -1.006 1.00 33.22 O ATOM 606 CB ILE A 38 -0.513 -1.269 -0.425 1.00 15.03 C ATOM 607 CG1 ILE A 38 -1.621 -0.232 -0.286 1.00 1.10 C ATOM 608 CG2 ILE A 38 0.873 -0.602 -0.488 1.00 63.14 C ATOM 609 CD1 ILE A 38 -1.538 0.563 0.977 1.00 11.31 C ATOM 0 H ILE A 38 -2.290 -3.128 -0.563 1.00 52.30 H new ATOM 0 HA ILE A 38 -0.753 -1.571 -2.544 1.00 4.41 H new ATOM 0 HB ILE A 38 -0.521 -1.899 0.465 1.00 15.03 H new ATOM 0 HG12 ILE A 38 -1.581 0.448 -1.137 1.00 1.10 H new ATOM 0 HG13 ILE A 38 -2.587 -0.736 -0.326 1.00 1.10 H new ATOM 0 HG21 ILE A 38 1.013 0.030 0.389 1.00 63.14 H new ATOM 0 HG22 ILE A 38 1.646 -1.370 -0.509 1.00 63.14 H new ATOM 0 HG23 ILE A 38 0.943 0.007 -1.389 1.00 63.14 H new ATOM 0 HD11 ILE A 38 -2.357 1.281 1.009 1.00 11.31 H new ATOM 0 HD12 ILE A 38 -1.609 -0.107 1.834 1.00 11.31 H new ATOM 0 HD13 ILE A 38 -0.587 1.095 1.010 1.00 11.31 H new ATOM 621 N VAL A 39 1.282 -3.050 -2.542 1.00 23.43 N ATOM 622 CA VAL A 39 2.401 -3.969 -2.639 1.00 24.42 C ATOM 623 C VAL A 39 3.663 -3.204 -2.303 1.00 24.51 C ATOM 624 O VAL A 39 3.883 -2.119 -2.818 1.00 74.14 O ATOM 625 CB VAL A 39 2.518 -4.567 -4.073 1.00 71.32 C ATOM 626 CG1 VAL A 39 3.725 -5.486 -4.202 1.00 15.22 C ATOM 627 CG2 VAL A 39 1.243 -5.298 -4.468 1.00 30.24 C ATOM 0 H VAL A 39 1.332 -2.260 -3.186 1.00 23.43 H new ATOM 0 HA VAL A 39 2.250 -4.797 -1.946 1.00 24.42 H new ATOM 0 HB VAL A 39 2.661 -3.733 -4.760 1.00 71.32 H new ATOM 0 HG11 VAL A 39 3.773 -5.884 -5.216 1.00 15.22 H new ATOM 0 HG12 VAL A 39 4.634 -4.924 -3.989 1.00 15.22 H new ATOM 0 HG13 VAL A 39 3.633 -6.309 -3.493 1.00 15.22 H new ATOM 0 HG21 VAL A 39 1.353 -5.705 -5.473 1.00 30.24 H new ATOM 0 HG22 VAL A 39 1.057 -6.111 -3.766 1.00 30.24 H new ATOM 0 HG23 VAL A 39 0.404 -4.603 -4.448 1.00 30.24 H new ATOM 637 N ALA A 40 4.465 -3.738 -1.438 1.00 42.05 N ATOM 638 CA ALA A 40 5.662 -3.058 -1.042 1.00 54.14 C ATOM 639 C ALA A 40 6.798 -4.009 -0.799 1.00 1.00 C ATOM 640 O ALA A 40 6.591 -5.139 -0.350 1.00 62.43 O ATOM 641 CB ALA A 40 5.399 -2.288 0.213 1.00 32.14 C ATOM 0 H ALA A 40 4.315 -4.643 -0.991 1.00 42.05 H new ATOM 0 HA ALA A 40 5.948 -2.392 -1.856 1.00 54.14 H new ATOM 0 HB1 ALA A 40 6.307 -1.769 0.518 1.00 32.14 H new ATOM 0 HB2 ALA A 40 4.608 -1.560 0.034 1.00 32.14 H new ATOM 0 HB3 ALA A 40 5.090 -2.973 1.002 1.00 32.14 H new ATOM 647 N ARG A 41 7.986 -3.568 -1.123 1.00 13.23 N ATOM 648 CA ARG A 41 9.168 -4.284 -0.796 1.00 43.45 C ATOM 649 C ARG A 41 9.940 -3.620 0.295 1.00 73.41 C ATOM 650 O ARG A 41 9.955 -2.390 0.410 1.00 31.54 O ATOM 651 CB ARG A 41 10.020 -4.585 -1.997 1.00 41.34 C ATOM 652 CG ARG A 41 9.727 -5.954 -2.505 1.00 72.20 C ATOM 653 CD ARG A 41 10.466 -6.319 -3.733 1.00 4.54 C ATOM 654 NE ARG A 41 10.158 -5.481 -4.887 1.00 75.14 N ATOM 655 CZ ARG A 41 10.732 -5.632 -6.092 1.00 72.41 C ATOM 656 NH1 ARG A 41 11.676 -6.566 -6.273 1.00 34.05 N ATOM 657 NH2 ARG A 41 10.373 -4.853 -7.102 1.00 2.44 N ATOM 0 H ARG A 41 8.150 -2.695 -1.624 1.00 13.23 H new ATOM 0 HA ARG A 41 8.843 -5.251 -0.411 1.00 43.45 H new ATOM 0 HB2 ARG A 41 9.831 -3.850 -2.780 1.00 41.34 H new ATOM 0 HB3 ARG A 41 11.075 -4.505 -1.733 1.00 41.34 H new ATOM 0 HG2 ARG A 41 9.964 -6.677 -1.724 1.00 72.20 H new ATOM 0 HG3 ARG A 41 8.658 -6.035 -2.701 1.00 72.20 H new ATOM 0 HD2 ARG A 41 11.536 -6.261 -3.531 1.00 4.54 H new ATOM 0 HD3 ARG A 41 10.245 -7.357 -3.982 1.00 4.54 H new ATOM 0 HE ARG A 41 9.468 -4.739 -4.772 1.00 75.14 H new ATOM 0 HH11 ARG A 41 11.959 -7.163 -5.496 1.00 34.05 H new ATOM 0 HH12 ARG A 41 12.112 -6.680 -7.188 1.00 34.05 H new ATOM 0 HH21 ARG A 41 9.660 -4.137 -6.965 1.00 2.44 H new ATOM 0 HH22 ARG A 41 10.810 -4.969 -8.016 1.00 2.44 H new ATOM 671 N LEU A 42 10.544 -4.425 1.110 1.00 30.23 N ATOM 672 CA LEU A 42 11.309 -3.948 2.244 1.00 73.54 C ATOM 673 C LEU A 42 12.721 -3.646 1.837 1.00 51.33 C ATOM 674 O LEU A 42 13.190 -4.119 0.808 1.00 40.03 O ATOM 675 CB LEU A 42 11.291 -4.986 3.350 1.00 24.55 C ATOM 676 CG LEU A 42 9.885 -5.486 3.722 1.00 71.13 C ATOM 677 CD1 LEU A 42 9.948 -6.543 4.794 1.00 0.54 C ATOM 678 CD2 LEU A 42 8.984 -4.322 4.150 1.00 71.43 C ATOM 0 H LEU A 42 10.527 -5.441 1.017 1.00 30.23 H new ATOM 0 HA LEU A 42 10.855 -3.028 2.612 1.00 73.54 H new ATOM 0 HB2 LEU A 42 11.898 -5.838 3.044 1.00 24.55 H new ATOM 0 HB3 LEU A 42 11.761 -4.563 4.238 1.00 24.55 H new ATOM 0 HG LEU A 42 9.448 -5.941 2.833 1.00 71.13 H new ATOM 0 HD11 LEU A 42 8.939 -6.877 5.036 1.00 0.54 H new ATOM 0 HD12 LEU A 42 10.534 -7.389 4.436 1.00 0.54 H new ATOM 0 HD13 LEU A 42 10.417 -6.128 5.687 1.00 0.54 H new ATOM 0 HD21 LEU A 42 7.996 -4.703 4.408 1.00 71.43 H new ATOM 0 HD22 LEU A 42 9.419 -3.825 5.017 1.00 71.43 H new ATOM 0 HD23 LEU A 42 8.896 -3.610 3.330 1.00 71.43 H new ATOM 690 N LYS A 43 13.392 -2.861 2.637 1.00 43.23 N ATOM 691 CA LYS A 43 14.743 -2.459 2.348 1.00 2.33 C ATOM 692 C LYS A 43 15.729 -3.610 2.503 1.00 62.42 C ATOM 693 O LYS A 43 16.235 -4.143 1.512 1.00 44.22 O ATOM 694 CB LYS A 43 15.152 -1.283 3.240 1.00 32.33 C ATOM 695 CG LYS A 43 14.285 -0.050 3.057 1.00 44.23 C ATOM 696 CD LYS A 43 14.680 1.080 3.992 1.00 63.35 C ATOM 697 CE LYS A 43 16.110 1.544 3.756 1.00 62.23 C ATOM 698 NZ LYS A 43 16.469 2.677 4.628 1.00 75.12 N ATOM 0 H LYS A 43 13.018 -2.482 3.507 1.00 43.23 H new ATOM 0 HA LYS A 43 14.772 -2.144 1.305 1.00 2.33 H new ATOM 0 HB2 LYS A 43 15.107 -1.596 4.283 1.00 32.33 H new ATOM 0 HB3 LYS A 43 16.189 -1.022 3.030 1.00 32.33 H new ATOM 0 HG2 LYS A 43 14.359 0.293 2.025 1.00 44.23 H new ATOM 0 HG3 LYS A 43 13.242 -0.314 3.231 1.00 44.23 H new ATOM 0 HD2 LYS A 43 13.999 1.920 3.853 1.00 63.35 H new ATOM 0 HD3 LYS A 43 14.572 0.750 5.025 1.00 63.35 H new ATOM 0 HE2 LYS A 43 16.795 0.716 3.936 1.00 62.23 H new ATOM 0 HE3 LYS A 43 16.230 1.836 2.713 1.00 62.23 H new ATOM 0 HZ1 LYS A 43 17.450 2.964 4.438 1.00 75.12 H new ATOM 0 HZ2 LYS A 43 15.831 3.476 4.439 1.00 75.12 H new ATOM 0 HZ3 LYS A 43 16.379 2.391 5.624 1.00 75.12 H new ATOM 712 N ASN A 44 15.976 -4.004 3.735 1.00 74.42 N ATOM 713 CA ASN A 44 17.012 -5.017 4.001 1.00 21.41 C ATOM 714 C ASN A 44 16.480 -6.407 3.777 1.00 44.31 C ATOM 715 O ASN A 44 17.156 -7.276 3.224 1.00 0.51 O ATOM 716 CB ASN A 44 17.575 -4.896 5.422 1.00 0.12 C ATOM 717 CG ASN A 44 18.720 -5.882 5.693 1.00 12.12 C ATOM 718 OD1 ASN A 44 19.485 -6.238 4.788 1.00 60.24 O ATOM 719 ND2 ASN A 44 18.845 -6.323 6.923 1.00 44.21 N ATOM 0 H ASN A 44 15.492 -3.655 4.562 1.00 74.42 H new ATOM 0 HA ASN A 44 17.824 -4.832 3.298 1.00 21.41 H new ATOM 0 HB2 ASN A 44 17.932 -3.879 5.581 1.00 0.12 H new ATOM 0 HB3 ASN A 44 16.774 -5.069 6.141 1.00 0.12 H new ATOM 0 HD21 ASN A 44 19.590 -6.979 7.156 1.00 44.21 H new ATOM 0 HD22 ASN A 44 18.197 -6.009 7.646 1.00 44.21 H new ATOM 726 N ASN A 45 15.245 -6.598 4.170 1.00 44.52 N ATOM 727 CA ASN A 45 14.617 -7.898 4.080 1.00 35.21 C ATOM 728 C ASN A 45 14.210 -8.179 2.637 1.00 65.43 C ATOM 729 O ASN A 45 14.113 -9.326 2.219 1.00 11.03 O ATOM 730 CB ASN A 45 13.435 -7.978 5.064 1.00 0.40 C ATOM 731 CG ASN A 45 12.785 -9.344 5.148 1.00 45.12 C ATOM 732 OD1 ASN A 45 11.544 -9.373 5.552 1.00 21.51 O flip ATOM 733 ND2 ASN A 45 13.409 -10.362 4.900 1.00 75.11 N flip ATOM 0 H ASN A 45 14.649 -5.866 4.558 1.00 44.52 H new ATOM 0 HA ASN A 45 15.323 -8.677 4.368 1.00 35.21 H new ATOM 0 HB2 ASN A 45 13.784 -7.693 6.057 1.00 0.40 H new ATOM 0 HB3 ASN A 45 12.682 -7.248 4.769 1.00 0.40 H new ATOM 0 HD21 ASN A 45 14.378 -10.303 4.586 1.00 75.11 H new ATOM 0 HD22 ASN A 45 12.962 -11.273 5.006 1.00 75.11 H new ATOM 740 N ASN A 46 13.977 -7.094 1.885 1.00 40.44 N ATOM 741 CA ASN A 46 13.709 -7.129 0.419 1.00 30.52 C ATOM 742 C ASN A 46 12.441 -7.946 0.047 1.00 51.11 C ATOM 743 O ASN A 46 12.161 -8.192 -1.129 1.00 32.21 O ATOM 744 CB ASN A 46 14.966 -7.666 -0.316 1.00 23.34 C ATOM 745 CG ASN A 46 14.894 -7.593 -1.834 1.00 44.20 C ATOM 746 OD1 ASN A 46 14.262 -6.703 -2.408 1.00 24.33 O ATOM 747 ND2 ASN A 46 15.549 -8.523 -2.496 1.00 31.35 N ATOM 0 H ASN A 46 13.967 -6.150 2.272 1.00 40.44 H new ATOM 0 HA ASN A 46 13.500 -6.110 0.094 1.00 30.52 H new ATOM 0 HB2 ASN A 46 15.836 -7.102 0.021 1.00 23.34 H new ATOM 0 HB3 ASN A 46 15.126 -8.704 -0.023 1.00 23.34 H new ATOM 0 HD21 ASN A 46 15.544 -8.522 -3.516 1.00 31.35 H new ATOM 0 HD22 ASN A 46 16.062 -9.245 -1.989 1.00 31.35 H new ATOM 754 N ARG A 47 11.665 -8.337 1.042 1.00 40.12 N ATOM 755 CA ARG A 47 10.473 -9.097 0.789 1.00 4.44 C ATOM 756 C ARG A 47 9.390 -8.238 0.261 1.00 31.31 C ATOM 757 O ARG A 47 9.273 -7.064 0.624 1.00 13.35 O ATOM 758 CB ARG A 47 9.978 -9.836 2.011 1.00 4.13 C ATOM 759 CG ARG A 47 10.848 -10.964 2.484 1.00 62.42 C ATOM 760 CD ARG A 47 10.158 -11.704 3.611 1.00 14.22 C ATOM 761 NE ARG A 47 8.888 -12.314 3.172 1.00 33.11 N ATOM 762 CZ ARG A 47 7.905 -12.743 3.981 1.00 74.43 C ATOM 763 NH1 ARG A 47 8.017 -12.628 5.296 1.00 1.12 N ATOM 764 NH2 ARG A 47 6.806 -13.273 3.460 1.00 24.12 N ATOM 0 H ARG A 47 11.845 -8.138 2.026 1.00 40.12 H new ATOM 0 HA ARG A 47 10.747 -9.839 0.039 1.00 4.44 H new ATOM 0 HB2 ARG A 47 9.867 -9.121 2.826 1.00 4.13 H new ATOM 0 HB3 ARG A 47 8.985 -10.232 1.797 1.00 4.13 H new ATOM 0 HG2 ARG A 47 11.054 -11.647 1.660 1.00 62.42 H new ATOM 0 HG3 ARG A 47 11.808 -10.577 2.825 1.00 62.42 H new ATOM 0 HD2 ARG A 47 10.820 -12.480 3.995 1.00 14.22 H new ATOM 0 HD3 ARG A 47 9.965 -11.015 4.433 1.00 14.22 H new ATOM 0 HE ARG A 47 8.744 -12.419 2.168 1.00 33.11 H new ATOM 0 HH11 ARG A 47 8.855 -12.211 5.702 1.00 1.12 H new ATOM 0 HH12 ARG A 47 7.266 -12.956 5.903 1.00 1.12 H new ATOM 0 HH21 ARG A 47 6.709 -13.354 2.448 1.00 24.12 H new ATOM 0 HH22 ARG A 47 6.058 -13.600 4.072 1.00 24.12 H new ATOM 778 N GLN A 48 8.612 -8.817 -0.587 1.00 61.11 N ATOM 779 CA GLN A 48 7.532 -8.154 -1.191 1.00 54.44 C ATOM 780 C GLN A 48 6.270 -8.612 -0.497 1.00 2.33 C ATOM 781 O GLN A 48 5.942 -9.804 -0.509 1.00 53.03 O ATOM 782 CB GLN A 48 7.506 -8.548 -2.656 1.00 71.32 C ATOM 783 CG GLN A 48 6.558 -7.761 -3.488 1.00 23.01 C ATOM 784 CD GLN A 48 6.514 -8.251 -4.915 1.00 75.31 C ATOM 785 OE1 GLN A 48 7.269 -7.790 -5.767 1.00 61.22 O ATOM 786 NE2 GLN A 48 5.656 -9.200 -5.187 1.00 74.11 N ATOM 0 H GLN A 48 8.720 -9.788 -0.880 1.00 61.11 H new ATOM 0 HA GLN A 48 7.619 -7.070 -1.111 1.00 54.44 H new ATOM 0 HB2 GLN A 48 8.509 -8.437 -3.067 1.00 71.32 H new ATOM 0 HB3 GLN A 48 7.246 -9.604 -2.731 1.00 71.32 H new ATOM 0 HG2 GLN A 48 5.560 -7.820 -3.054 1.00 23.01 H new ATOM 0 HG3 GLN A 48 6.850 -6.711 -3.474 1.00 23.01 H new ATOM 0 HE21 GLN A 48 5.044 -9.559 -4.455 1.00 74.11 H new ATOM 0 HE22 GLN A 48 5.599 -9.581 -6.132 1.00 74.11 H new ATOM 795 N VAL A 49 5.580 -7.699 0.100 1.00 55.34 N ATOM 796 CA VAL A 49 4.385 -8.009 0.856 1.00 1.44 C ATOM 797 C VAL A 49 3.290 -7.038 0.499 1.00 3.43 C ATOM 798 O VAL A 49 3.543 -6.026 -0.165 1.00 61.31 O ATOM 799 CB VAL A 49 4.635 -7.957 2.402 1.00 3.10 C ATOM 800 CG1 VAL A 49 5.630 -9.031 2.838 1.00 55.40 C ATOM 801 CG2 VAL A 49 5.129 -6.573 2.831 1.00 31.32 C ATOM 0 H VAL A 49 5.820 -6.708 0.085 1.00 55.34 H new ATOM 0 HA VAL A 49 4.091 -9.026 0.597 1.00 1.44 H new ATOM 0 HB VAL A 49 3.683 -8.153 2.894 1.00 3.10 H new ATOM 0 HG11 VAL A 49 5.783 -8.970 3.915 1.00 55.40 H new ATOM 0 HG12 VAL A 49 5.238 -10.015 2.583 1.00 55.40 H new ATOM 0 HG13 VAL A 49 6.580 -8.875 2.327 1.00 55.40 H new ATOM 0 HG21 VAL A 49 5.295 -6.564 3.908 1.00 31.32 H new ATOM 0 HG22 VAL A 49 6.063 -6.345 2.318 1.00 31.32 H new ATOM 0 HG23 VAL A 49 4.381 -5.823 2.573 1.00 31.32 H new ATOM 811 N CYS A 50 2.093 -7.334 0.919 1.00 14.41 N ATOM 812 CA CYS A 50 0.992 -6.456 0.671 1.00 41.32 C ATOM 813 C CYS A 50 0.769 -5.590 1.873 1.00 73.51 C ATOM 814 O CYS A 50 0.908 -6.042 3.006 1.00 21.23 O ATOM 815 CB CYS A 50 -0.274 -7.232 0.341 1.00 4.30 C ATOM 816 SG CYS A 50 -0.068 -8.385 -1.065 1.00 52.23 S ATOM 0 H CYS A 50 1.857 -8.181 1.437 1.00 14.41 H new ATOM 0 HA CYS A 50 1.232 -5.835 -0.192 1.00 41.32 H new ATOM 0 HB2 CYS A 50 -0.587 -7.794 1.221 1.00 4.30 H new ATOM 0 HB3 CYS A 50 -1.074 -6.528 0.111 1.00 4.30 H new ATOM 821 N ILE A 51 0.457 -4.362 1.641 1.00 43.20 N ATOM 822 CA ILE A 51 0.207 -3.439 2.691 1.00 35.43 C ATOM 823 C ILE A 51 -1.244 -3.071 2.725 1.00 61.12 C ATOM 824 O ILE A 51 -1.908 -2.966 1.684 1.00 11.44 O ATOM 825 CB ILE A 51 1.104 -2.167 2.615 1.00 43.15 C ATOM 826 CG1 ILE A 51 2.559 -2.582 2.680 1.00 21.21 C ATOM 827 CG2 ILE A 51 0.783 -1.184 3.737 1.00 23.31 C ATOM 828 CD1 ILE A 51 3.527 -1.427 2.858 1.00 11.31 C ATOM 0 H ILE A 51 0.367 -3.967 0.705 1.00 43.20 H new ATOM 0 HA ILE A 51 0.471 -3.940 3.622 1.00 35.43 H new ATOM 0 HB ILE A 51 0.905 -1.658 1.672 1.00 43.15 H new ATOM 0 HG12 ILE A 51 2.689 -3.281 3.506 1.00 21.21 H new ATOM 0 HG13 ILE A 51 2.814 -3.118 1.765 1.00 21.21 H new ATOM 0 HG21 ILE A 51 1.429 -0.310 3.651 1.00 23.31 H new ATOM 0 HG22 ILE A 51 -0.259 -0.874 3.662 1.00 23.31 H new ATOM 0 HG23 ILE A 51 0.950 -1.665 4.701 1.00 23.31 H new ATOM 0 HD11 ILE A 51 4.547 -1.810 2.895 1.00 11.31 H new ATOM 0 HD12 ILE A 51 3.428 -0.737 2.020 1.00 11.31 H new ATOM 0 HD13 ILE A 51 3.302 -0.904 3.787 1.00 11.31 H new ATOM 840 N ASP A 52 -1.732 -2.946 3.902 1.00 73.50 N ATOM 841 CA ASP A 52 -3.072 -2.562 4.153 1.00 12.44 C ATOM 842 C ASP A 52 -3.235 -1.053 3.998 1.00 73.03 C ATOM 843 O ASP A 52 -2.501 -0.278 4.608 1.00 4.41 O ATOM 844 CB ASP A 52 -3.417 -3.005 5.531 1.00 13.44 C ATOM 845 CG ASP A 52 -4.773 -2.583 5.980 1.00 50.52 C ATOM 846 OD1 ASP A 52 -4.883 -1.489 6.525 1.00 3.35 O ATOM 847 OD2 ASP A 52 -5.736 -3.369 5.842 1.00 71.15 O ATOM 0 H ASP A 52 -1.190 -3.114 4.750 1.00 73.50 H new ATOM 0 HA ASP A 52 -3.746 -3.028 3.435 1.00 12.44 H new ATOM 0 HB2 ASP A 52 -3.351 -4.092 5.580 1.00 13.44 H new ATOM 0 HB3 ASP A 52 -2.676 -2.609 6.225 1.00 13.44 H new ATOM 852 N PRO A 53 -4.196 -0.624 3.174 1.00 50.04 N ATOM 853 CA PRO A 53 -4.418 0.788 2.883 1.00 15.13 C ATOM 854 C PRO A 53 -4.967 1.589 4.055 1.00 5.23 C ATOM 855 O PRO A 53 -4.857 2.812 4.069 1.00 30.21 O ATOM 856 CB PRO A 53 -5.422 0.768 1.731 1.00 14.50 C ATOM 857 CG PRO A 53 -6.133 -0.525 1.879 1.00 53.03 C ATOM 858 CD PRO A 53 -5.130 -1.486 2.440 1.00 10.21 C ATOM 0 HA PRO A 53 -3.476 1.283 2.648 1.00 15.13 H new ATOM 0 HB2 PRO A 53 -6.112 1.609 1.792 1.00 14.50 H new ATOM 0 HB3 PRO A 53 -4.920 0.836 0.766 1.00 14.50 H new ATOM 0 HG2 PRO A 53 -6.991 -0.425 2.544 1.00 53.03 H new ATOM 0 HG3 PRO A 53 -6.513 -0.874 0.919 1.00 53.03 H new ATOM 0 HD2 PRO A 53 -5.600 -2.218 3.097 1.00 10.21 H new ATOM 0 HD3 PRO A 53 -4.625 -2.044 1.651 1.00 10.21 H new ATOM 866 N LYS A 54 -5.529 0.925 5.052 1.00 13.03 N ATOM 867 CA LYS A 54 -6.109 1.655 6.154 1.00 62.43 C ATOM 868 C LYS A 54 -5.116 1.860 7.290 1.00 54.11 C ATOM 869 O LYS A 54 -5.474 2.375 8.354 1.00 62.30 O ATOM 870 CB LYS A 54 -7.512 1.103 6.594 1.00 63.12 C ATOM 871 CG LYS A 54 -7.580 -0.332 7.088 1.00 30.35 C ATOM 872 CD LYS A 54 -7.083 -0.482 8.521 1.00 34.20 C ATOM 873 CE LYS A 54 -8.016 0.181 9.528 1.00 75.44 C ATOM 874 NZ LYS A 54 -7.544 0.006 10.922 1.00 52.41 N ATOM 0 H LYS A 54 -5.593 -0.091 5.117 1.00 13.03 H new ATOM 0 HA LYS A 54 -6.332 2.658 5.789 1.00 62.43 H new ATOM 0 HB2 LYS A 54 -7.894 1.749 7.384 1.00 63.12 H new ATOM 0 HB3 LYS A 54 -8.192 1.199 5.747 1.00 63.12 H new ATOM 0 HG2 LYS A 54 -8.609 -0.686 7.025 1.00 30.35 H new ATOM 0 HG3 LYS A 54 -6.984 -0.967 6.432 1.00 30.35 H new ATOM 0 HD2 LYS A 54 -6.986 -1.541 8.761 1.00 34.20 H new ATOM 0 HD3 LYS A 54 -6.089 -0.044 8.606 1.00 34.20 H new ATOM 0 HE2 LYS A 54 -8.095 1.245 9.303 1.00 75.44 H new ATOM 0 HE3 LYS A 54 -9.016 -0.241 9.428 1.00 75.44 H new ATOM 0 HZ1 LYS A 54 -8.207 0.472 11.574 1.00 52.41 H new ATOM 0 HZ2 LYS A 54 -7.493 -1.008 11.146 1.00 52.41 H new ATOM 0 HZ3 LYS A 54 -6.601 0.432 11.025 1.00 52.41 H new ATOM 888 N LEU A 55 -3.849 1.462 7.054 1.00 33.33 N ATOM 889 CA LEU A 55 -2.768 1.766 7.976 1.00 13.24 C ATOM 890 C LEU A 55 -2.671 3.263 8.164 1.00 71.52 C ATOM 891 O LEU A 55 -2.764 4.028 7.203 1.00 73.33 O ATOM 892 CB LEU A 55 -1.427 1.217 7.474 1.00 64.13 C ATOM 893 CG LEU A 55 -1.158 -0.279 7.662 1.00 31.31 C ATOM 894 CD1 LEU A 55 0.154 -0.648 7.021 1.00 11.02 C ATOM 895 CD2 LEU A 55 -1.085 -0.623 9.131 1.00 75.23 C ATOM 0 H LEU A 55 -3.563 0.931 6.231 1.00 33.33 H new ATOM 0 HA LEU A 55 -2.989 1.285 8.929 1.00 13.24 H new ATOM 0 HB2 LEU A 55 -1.349 1.441 6.410 1.00 64.13 H new ATOM 0 HB3 LEU A 55 -0.630 1.767 7.975 1.00 64.13 H new ATOM 0 HG LEU A 55 -1.974 -0.832 7.197 1.00 31.31 H new ATOM 0 HD11 LEU A 55 0.339 -1.713 7.158 1.00 11.02 H new ATOM 0 HD12 LEU A 55 0.115 -0.421 5.956 1.00 11.02 H new ATOM 0 HD13 LEU A 55 0.959 -0.077 7.484 1.00 11.02 H new ATOM 0 HD21 LEU A 55 -0.893 -1.690 9.246 1.00 75.23 H new ATOM 0 HD22 LEU A 55 -0.279 -0.057 9.598 1.00 75.23 H new ATOM 0 HD23 LEU A 55 -2.030 -0.371 9.611 1.00 75.23 H new ATOM 907 N LYS A 56 -2.463 3.669 9.380 1.00 64.11 N ATOM 908 CA LYS A 56 -2.462 5.073 9.740 1.00 40.53 C ATOM 909 C LYS A 56 -1.308 5.821 9.078 1.00 52.51 C ATOM 910 O LYS A 56 -1.472 6.974 8.634 1.00 31.33 O ATOM 911 CB LYS A 56 -2.441 5.238 11.264 1.00 64.21 C ATOM 912 CG LYS A 56 -2.506 6.677 11.748 1.00 63.31 C ATOM 913 CD LYS A 56 -2.498 6.735 13.260 1.00 54.22 C ATOM 914 CE LYS A 56 -2.578 8.158 13.763 1.00 11.22 C ATOM 915 NZ LYS A 56 -2.593 8.213 15.239 1.00 64.41 N ATOM 0 H LYS A 56 -2.287 3.039 10.163 1.00 64.11 H new ATOM 0 HA LYS A 56 -3.384 5.518 9.366 1.00 40.53 H new ATOM 0 HB2 LYS A 56 -3.282 4.688 11.687 1.00 64.21 H new ATOM 0 HB3 LYS A 56 -1.532 4.779 11.653 1.00 64.21 H new ATOM 0 HG2 LYS A 56 -1.658 7.237 11.353 1.00 63.31 H new ATOM 0 HG3 LYS A 56 -3.409 7.154 11.366 1.00 63.31 H new ATOM 0 HD2 LYS A 56 -3.339 6.163 13.651 1.00 54.22 H new ATOM 0 HD3 LYS A 56 -1.590 6.266 13.638 1.00 54.22 H new ATOM 0 HE2 LYS A 56 -1.728 8.726 13.386 1.00 11.22 H new ATOM 0 HE3 LYS A 56 -3.478 8.633 13.371 1.00 11.22 H new ATOM 0 HZ1 LYS A 56 -2.648 9.204 15.549 1.00 64.41 H new ATOM 0 HZ2 LYS A 56 -3.418 7.692 15.597 1.00 64.41 H new ATOM 0 HZ3 LYS A 56 -1.723 7.782 15.611 1.00 64.41 H new ATOM 929 N TRP A 57 -0.150 5.174 8.973 1.00 72.31 N ATOM 930 CA TRP A 57 0.973 5.823 8.318 1.00 34.23 C ATOM 931 C TRP A 57 0.780 5.804 6.792 1.00 64.25 C ATOM 932 O TRP A 57 1.382 6.589 6.066 1.00 12.24 O ATOM 933 CB TRP A 57 2.342 5.227 8.730 1.00 15.34 C ATOM 934 CG TRP A 57 2.616 3.835 8.244 1.00 52.01 C ATOM 935 CD1 TRP A 57 2.347 2.670 8.877 1.00 11.31 C ATOM 936 CD2 TRP A 57 3.243 3.485 7.014 1.00 4.33 C ATOM 937 NE1 TRP A 57 2.753 1.615 8.108 1.00 71.23 N ATOM 938 CE2 TRP A 57 3.310 2.094 6.956 1.00 74.13 C ATOM 939 CE3 TRP A 57 3.748 4.227 5.956 1.00 5.45 C ATOM 940 CZ2 TRP A 57 3.867 1.421 5.876 1.00 54.22 C ATOM 941 CZ3 TRP A 57 4.297 3.571 4.886 1.00 60.14 C ATOM 942 CH2 TRP A 57 4.355 2.179 4.850 1.00 70.13 C ATOM 0 H TRP A 57 0.030 4.232 9.321 1.00 72.31 H new ATOM 0 HA TRP A 57 0.991 6.859 8.656 1.00 34.23 H new ATOM 0 HB2 TRP A 57 3.130 5.883 8.360 1.00 15.34 H new ATOM 0 HB3 TRP A 57 2.408 5.232 9.818 1.00 15.34 H new ATOM 0 HD1 TRP A 57 1.880 2.586 9.847 1.00 11.31 H new ATOM 0 HE1 TRP A 57 2.656 0.630 8.354 1.00 71.23 H new ATOM 0 HE3 TRP A 57 3.709 5.306 5.976 1.00 5.45 H new ATOM 0 HZ2 TRP A 57 3.912 0.342 5.849 1.00 54.22 H new ATOM 0 HZ3 TRP A 57 4.691 4.141 4.058 1.00 60.14 H new ATOM 0 HH2 TRP A 57 4.795 1.690 3.993 1.00 70.13 H new ATOM 953 N ILE A 58 -0.067 4.900 6.322 1.00 32.44 N ATOM 954 CA ILE A 58 -0.403 4.832 4.912 1.00 43.15 C ATOM 955 C ILE A 58 -1.397 5.928 4.572 1.00 51.12 C ATOM 956 O ILE A 58 -1.320 6.542 3.513 1.00 2.25 O ATOM 957 CB ILE A 58 -0.964 3.442 4.485 1.00 4.24 C ATOM 958 CG1 ILE A 58 0.136 2.365 4.518 1.00 60.21 C ATOM 959 CG2 ILE A 58 -1.569 3.527 3.108 1.00 72.04 C ATOM 960 CD1 ILE A 58 1.253 2.614 3.523 1.00 40.40 C ATOM 0 H ILE A 58 -0.534 4.202 6.901 1.00 32.44 H new ATOM 0 HA ILE A 58 0.521 4.977 4.353 1.00 43.15 H new ATOM 0 HB ILE A 58 -1.738 3.156 5.197 1.00 4.24 H new ATOM 0 HG12 ILE A 58 0.558 2.318 5.522 1.00 60.21 H new ATOM 0 HG13 ILE A 58 -0.312 1.392 4.314 1.00 60.21 H new ATOM 0 HG21 ILE A 58 -1.958 2.550 2.820 1.00 72.04 H new ATOM 0 HG22 ILE A 58 -2.381 4.254 3.112 1.00 72.04 H new ATOM 0 HG23 ILE A 58 -0.806 3.839 2.394 1.00 72.04 H new ATOM 0 HD11 ILE A 58 1.993 1.818 3.600 1.00 40.40 H new ATOM 0 HD12 ILE A 58 0.843 2.632 2.513 1.00 40.40 H new ATOM 0 HD13 ILE A 58 1.726 3.572 3.740 1.00 40.40 H new ATOM 972 N GLN A 59 -2.325 6.170 5.471 1.00 54.45 N ATOM 973 CA GLN A 59 -3.264 7.248 5.296 1.00 10.24 C ATOM 974 C GLN A 59 -2.531 8.563 5.132 1.00 22.40 C ATOM 975 O GLN A 59 -2.775 9.273 4.176 1.00 13.15 O ATOM 976 CB GLN A 59 -4.288 7.294 6.431 1.00 63.04 C ATOM 977 CG GLN A 59 -5.261 6.113 6.423 1.00 3.22 C ATOM 978 CD GLN A 59 -6.154 6.101 5.184 1.00 0.31 C ATOM 979 OE1 GLN A 59 -7.243 6.672 5.185 1.00 73.14 O ATOM 980 NE2 GLN A 59 -5.719 5.451 4.136 1.00 13.40 N ATOM 0 H GLN A 59 -2.447 5.633 6.330 1.00 54.45 H new ATOM 0 HA GLN A 59 -3.829 7.066 4.382 1.00 10.24 H new ATOM 0 HB2 GLN A 59 -3.761 7.314 7.385 1.00 63.04 H new ATOM 0 HB3 GLN A 59 -4.855 8.222 6.361 1.00 63.04 H new ATOM 0 HG2 GLN A 59 -4.697 5.181 6.470 1.00 3.22 H new ATOM 0 HG3 GLN A 59 -5.884 6.154 7.316 1.00 3.22 H new ATOM 0 HE21 GLN A 59 -4.811 4.987 4.164 1.00 13.40 H new ATOM 0 HE22 GLN A 59 -6.287 5.408 3.290 1.00 13.40 H new ATOM 989 N GLU A 60 -1.571 8.840 6.015 1.00 33.21 N ATOM 990 CA GLU A 60 -0.802 10.067 5.915 1.00 32.40 C ATOM 991 C GLU A 60 0.065 10.088 4.650 1.00 25.41 C ATOM 992 O GLU A 60 0.321 11.148 4.081 1.00 61.20 O ATOM 993 CB GLU A 60 -0.040 10.362 7.211 1.00 71.40 C ATOM 994 CG GLU A 60 0.974 9.347 7.626 1.00 22.23 C ATOM 995 CD GLU A 60 2.378 9.722 7.232 1.00 34.52 C ATOM 996 OE1 GLU A 60 2.736 9.612 6.057 1.00 71.45 O ATOM 997 OE2 GLU A 60 3.139 10.160 8.119 1.00 73.21 O ATOM 0 H GLU A 60 -1.314 8.236 6.796 1.00 33.21 H new ATOM 0 HA GLU A 60 -1.496 10.899 5.798 1.00 32.40 H new ATOM 0 HB2 GLU A 60 0.462 11.323 7.102 1.00 71.40 H new ATOM 0 HB3 GLU A 60 -0.765 10.471 8.017 1.00 71.40 H new ATOM 0 HG2 GLU A 60 0.928 9.217 8.707 1.00 22.23 H new ATOM 0 HG3 GLU A 60 0.722 8.386 7.179 1.00 22.23 H new ATOM 1004 N TYR A 61 0.501 8.903 4.215 1.00 43.44 N ATOM 1005 CA TYR A 61 1.193 8.731 2.937 1.00 50.22 C ATOM 1006 C TYR A 61 0.312 9.240 1.806 1.00 31.10 C ATOM 1007 O TYR A 61 0.765 9.935 0.886 1.00 62.54 O ATOM 1008 CB TYR A 61 1.508 7.232 2.710 1.00 60.44 C ATOM 1009 CG TYR A 61 1.890 6.882 1.291 1.00 5.01 C ATOM 1010 CD1 TYR A 61 3.066 7.335 0.716 1.00 60.41 C ATOM 1011 CD2 TYR A 61 1.039 6.098 0.523 1.00 2.43 C ATOM 1012 CE1 TYR A 61 3.378 7.017 -0.592 1.00 22.35 C ATOM 1013 CE2 TYR A 61 1.335 5.771 -0.771 1.00 21.34 C ATOM 1014 CZ TYR A 61 2.507 6.234 -1.332 1.00 11.31 C ATOM 1015 OH TYR A 61 2.821 5.913 -2.635 1.00 71.34 O ATOM 0 H TYR A 61 0.384 8.036 4.740 1.00 43.44 H new ATOM 0 HA TYR A 61 2.124 9.297 2.955 1.00 50.22 H new ATOM 0 HB2 TYR A 61 2.321 6.939 3.375 1.00 60.44 H new ATOM 0 HB3 TYR A 61 0.636 6.643 2.994 1.00 60.44 H new ATOM 0 HD1 TYR A 61 3.745 7.942 1.295 1.00 60.41 H new ATOM 0 HD2 TYR A 61 0.119 5.737 0.959 1.00 2.43 H new ATOM 0 HE1 TYR A 61 4.295 7.377 -1.035 1.00 22.35 H new ATOM 0 HE2 TYR A 61 0.659 5.157 -1.347 1.00 21.34 H new ATOM 0 HH TYR A 61 2.109 5.358 -3.016 1.00 71.34 H new ATOM 1025 N LEU A 62 -0.925 8.872 1.879 1.00 4.14 N ATOM 1026 CA LEU A 62 -1.908 9.248 0.929 1.00 63.10 C ATOM 1027 C LEU A 62 -2.335 10.671 1.051 1.00 62.31 C ATOM 1028 O LEU A 62 -2.472 11.323 0.057 1.00 13.23 O ATOM 1029 CB LEU A 62 -2.997 8.243 0.919 1.00 62.34 C ATOM 1030 CG LEU A 62 -2.501 6.931 0.340 1.00 42.04 C ATOM 1031 CD1 LEU A 62 -3.322 5.806 0.781 1.00 20.23 C ATOM 1032 CD2 LEU A 62 -2.470 6.988 -1.180 1.00 75.44 C ATOM 0 H LEU A 62 -1.286 8.282 2.628 1.00 4.14 H new ATOM 0 HA LEU A 62 -1.469 9.233 -0.069 1.00 63.10 H new ATOM 0 HB2 LEU A 62 -3.364 8.085 1.933 1.00 62.34 H new ATOM 0 HB3 LEU A 62 -3.837 8.613 0.331 1.00 62.34 H new ATOM 0 HG LEU A 62 -1.487 6.777 0.709 1.00 42.04 H new ATOM 0 HD11 LEU A 62 -2.938 4.883 0.347 1.00 20.23 H new ATOM 0 HD12 LEU A 62 -3.290 5.737 1.868 1.00 20.23 H new ATOM 0 HD13 LEU A 62 -4.352 5.958 0.457 1.00 20.23 H new ATOM 0 HD21 LEU A 62 -2.111 6.037 -1.573 1.00 75.44 H new ATOM 0 HD22 LEU A 62 -3.474 7.181 -1.557 1.00 75.44 H new ATOM 0 HD23 LEU A 62 -1.802 7.788 -1.501 1.00 75.44 H new ATOM 1044 N GLU A 63 -2.505 11.180 2.276 1.00 21.33 N ATOM 1045 CA GLU A 63 -2.743 12.646 2.437 1.00 51.32 C ATOM 1046 C GLU A 63 -1.600 13.428 1.788 1.00 60.13 C ATOM 1047 O GLU A 63 -1.817 14.436 1.116 1.00 70.44 O ATOM 1048 CB GLU A 63 -2.919 13.122 3.902 1.00 22.04 C ATOM 1049 CG GLU A 63 -4.313 12.949 4.519 1.00 0.51 C ATOM 1050 CD GLU A 63 -4.746 11.536 4.722 1.00 51.45 C ATOM 1051 OE1 GLU A 63 -4.412 10.962 5.771 1.00 75.34 O ATOM 1052 OE2 GLU A 63 -5.469 10.988 3.858 1.00 20.33 O ATOM 0 H GLU A 63 -2.487 10.641 3.142 1.00 21.33 H new ATOM 0 HA GLU A 63 -3.694 12.842 1.942 1.00 51.32 H new ATOM 0 HB2 GLU A 63 -2.203 12.584 4.523 1.00 22.04 H new ATOM 0 HB3 GLU A 63 -2.654 14.178 3.951 1.00 22.04 H new ATOM 0 HG2 GLU A 63 -4.333 13.460 5.481 1.00 0.51 H new ATOM 0 HG3 GLU A 63 -5.041 13.447 3.878 1.00 0.51 H new ATOM 1059 N LYS A 64 -0.393 12.928 1.988 1.00 55.34 N ATOM 1060 CA LYS A 64 0.808 13.454 1.366 1.00 53.15 C ATOM 1061 C LYS A 64 0.657 13.519 -0.149 1.00 1.13 C ATOM 1062 O LYS A 64 0.655 14.599 -0.741 1.00 64.34 O ATOM 1063 CB LYS A 64 1.995 12.573 1.756 1.00 75.25 C ATOM 1064 CG LYS A 64 3.243 12.801 0.952 1.00 44.11 C ATOM 1065 CD LYS A 64 4.416 12.075 1.566 1.00 23.21 C ATOM 1066 CE LYS A 64 5.707 12.293 0.790 1.00 30.23 C ATOM 1067 NZ LYS A 64 6.136 13.710 0.786 1.00 62.41 N ATOM 0 H LYS A 64 -0.218 12.130 2.599 1.00 55.34 H new ATOM 0 HA LYS A 64 0.979 14.471 1.718 1.00 53.15 H new ATOM 0 HB2 LYS A 64 2.223 12.741 2.809 1.00 75.25 H new ATOM 0 HB3 LYS A 64 1.702 11.528 1.656 1.00 75.25 H new ATOM 0 HG2 LYS A 64 3.090 12.456 -0.071 1.00 44.11 H new ATOM 0 HG3 LYS A 64 3.457 13.868 0.899 1.00 44.11 H new ATOM 0 HD2 LYS A 64 4.552 12.414 2.593 1.00 23.21 H new ATOM 0 HD3 LYS A 64 4.197 11.008 1.608 1.00 23.21 H new ATOM 0 HE2 LYS A 64 6.496 11.679 1.225 1.00 30.23 H new ATOM 0 HE3 LYS A 64 5.571 11.956 -0.237 1.00 30.23 H new ATOM 0 HZ1 LYS A 64 7.090 13.783 0.379 1.00 62.41 H new ATOM 0 HZ2 LYS A 64 5.473 14.272 0.215 1.00 62.41 H new ATOM 0 HZ3 LYS A 64 6.147 14.072 1.761 1.00 62.41 H new ATOM 1081 N ALA A 65 0.525 12.362 -0.744 1.00 53.13 N ATOM 1082 CA ALA A 65 0.311 12.201 -2.193 1.00 60.33 C ATOM 1083 C ALA A 65 -0.925 12.969 -2.698 1.00 34.12 C ATOM 1084 O ALA A 65 -0.972 13.393 -3.849 1.00 4.32 O ATOM 1085 CB ALA A 65 0.171 10.729 -2.534 1.00 12.54 C ATOM 0 H ALA A 65 0.561 11.476 -0.241 1.00 53.13 H new ATOM 0 HA ALA A 65 1.183 12.622 -2.694 1.00 60.33 H new ATOM 0 HB1 ALA A 65 0.013 10.617 -3.607 1.00 12.54 H new ATOM 0 HB2 ALA A 65 1.079 10.200 -2.244 1.00 12.54 H new ATOM 0 HB3 ALA A 65 -0.680 10.310 -1.997 1.00 12.54 H new ATOM 1091 N LEU A 66 -1.910 13.130 -1.844 1.00 44.53 N ATOM 1092 CA LEU A 66 -3.118 13.854 -2.189 1.00 23.34 C ATOM 1093 C LEU A 66 -2.895 15.365 -2.251 1.00 75.14 C ATOM 1094 O LEU A 66 -3.488 16.045 -3.090 1.00 21.35 O ATOM 1095 CB LEU A 66 -4.284 13.484 -1.266 1.00 35.22 C ATOM 1096 CG LEU A 66 -4.876 12.081 -1.431 1.00 12.24 C ATOM 1097 CD1 LEU A 66 -6.007 11.853 -0.443 1.00 45.25 C ATOM 1098 CD2 LEU A 66 -5.353 11.857 -2.854 1.00 74.41 C ATOM 0 H LEU A 66 -1.899 12.765 -0.892 1.00 44.53 H new ATOM 0 HA LEU A 66 -3.393 13.542 -3.197 1.00 23.34 H new ATOM 0 HB2 LEU A 66 -3.949 13.592 -0.235 1.00 35.22 H new ATOM 0 HB3 LEU A 66 -5.082 14.210 -1.419 1.00 35.22 H new ATOM 0 HG LEU A 66 -4.089 11.357 -1.221 1.00 12.24 H new ATOM 0 HD11 LEU A 66 -6.412 10.850 -0.579 1.00 45.25 H new ATOM 0 HD12 LEU A 66 -5.628 11.957 0.574 1.00 45.25 H new ATOM 0 HD13 LEU A 66 -6.793 12.588 -0.614 1.00 45.25 H new ATOM 0 HD21 LEU A 66 -5.769 10.854 -2.945 1.00 74.41 H new ATOM 0 HD22 LEU A 66 -6.120 12.591 -3.101 1.00 74.41 H new ATOM 0 HD23 LEU A 66 -4.513 11.965 -3.540 1.00 74.41 H new ATOM 1110 N ASN A 67 -2.057 15.891 -1.371 1.00 4.11 N ATOM 1111 CA ASN A 67 -1.692 17.320 -1.422 1.00 73.45 C ATOM 1112 C ASN A 67 -0.640 17.556 -2.481 1.00 50.21 C ATOM 1113 O ASN A 67 -0.509 18.658 -3.012 1.00 11.34 O ATOM 1114 CB ASN A 67 -1.191 17.855 -0.070 1.00 23.14 C ATOM 1115 CG ASN A 67 -2.277 18.025 0.971 1.00 62.41 C ATOM 1116 OD1 ASN A 67 -2.867 19.193 1.010 1.00 64.35 O flip ATOM 1117 ND2 ASN A 67 -2.576 17.114 1.745 1.00 51.21 N flip ATOM 0 H ASN A 67 -1.615 15.366 -0.616 1.00 4.11 H new ATOM 0 HA ASN A 67 -2.602 17.865 -1.672 1.00 73.45 H new ATOM 0 HB2 ASN A 67 -0.434 17.175 0.319 1.00 23.14 H new ATOM 0 HB3 ASN A 67 -0.703 18.817 -0.231 1.00 23.14 H new ATOM 0 HD21 ASN A 67 -2.095 16.216 1.686 1.00 51.21 H new ATOM 0 HD22 ASN A 67 -3.304 17.258 2.445 1.00 51.21 H new ATOM 1124 N LYS A 68 0.097 16.508 -2.768 1.00 0.31 N ATOM 1125 CA LYS A 68 1.143 16.496 -3.765 1.00 32.13 C ATOM 1126 C LYS A 68 0.565 16.771 -5.148 1.00 72.03 C ATOM 1127 O LYS A 68 -0.060 15.869 -5.732 1.00 38.60 O ATOM 1128 CB LYS A 68 1.841 15.144 -3.717 1.00 52.24 C ATOM 1129 CG LYS A 68 2.969 14.950 -4.699 1.00 74.44 C ATOM 1130 CD LYS A 68 3.599 13.602 -4.466 1.00 24.43 C ATOM 1131 CE LYS A 68 4.710 13.307 -5.447 1.00 33.41 C ATOM 1132 NZ LYS A 68 5.338 12.002 -5.167 1.00 52.03 N ATOM 1133 OXT LYS A 68 0.738 17.892 -5.656 1.00 38.60 O ATOM 0 H LYS A 68 -0.019 15.610 -2.298 1.00 0.31 H new ATOM 0 HA LYS A 68 1.868 17.283 -3.556 1.00 32.13 H new ATOM 0 HB2 LYS A 68 2.231 14.994 -2.710 1.00 52.24 H new ATOM 0 HB3 LYS A 68 1.097 14.366 -3.890 1.00 52.24 H new ATOM 0 HG2 LYS A 68 2.594 15.018 -5.720 1.00 74.44 H new ATOM 0 HG3 LYS A 68 3.712 15.738 -4.579 1.00 74.44 H new ATOM 0 HD2 LYS A 68 3.994 13.559 -3.451 1.00 24.43 H new ATOM 0 HD3 LYS A 68 2.835 12.829 -4.544 1.00 24.43 H new ATOM 0 HE2 LYS A 68 4.313 13.312 -6.462 1.00 33.41 H new ATOM 0 HE3 LYS A 68 5.462 14.094 -5.395 1.00 33.41 H new ATOM 0 HZ1 LYS A 68 6.097 11.827 -5.856 1.00 52.03 H new ATOM 0 HZ2 LYS A 68 5.737 12.008 -4.207 1.00 52.03 H new ATOM 0 HZ3 LYS A 68 4.623 11.250 -5.240 1.00 52.03 H new TER 1147 LYS A 68