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 -90:sc= -3.4! USER MOD Set 1.2: A 37 GLN : amide:sc= 0.551 K(o=-2.9,f=-15!) USER MOD Set 2.1: A 22 ASN : amide:sc= 1.34 K(o=2.6,f=-4.7!) USER MOD Set 2.2: A 44 ASN : amide:sc= 1.25 K(o=2.6,f=0.21) USER MOD Single : A 1 LYS N :NH3+ 134:sc= 0.119 (180deg=-0.017) 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 40:sc= 0.225 USER MOD Single : A 7 TYR OH : rot 130:sc= 0 USER MOD Single : A 16 SER OG : rot 1:sc= 1.03 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.0588 (180deg=-0.314) USER MOD Single : A 25 HIS : no HE2:sc= -0.622 K(o=-0.62,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.57!) USER MOD Single : A 33 ASN : amide:sc= -0.0738 K(o=-0.074,f=-2.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.05 K(o=-1,f=-2.6!) USER MOD Single : A 46 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.2) USER MOD Single : A 48 GLN : amide:sc= -0.577 K(o=-0.58,f=-1.9) 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= 0.187 K(o=0.19,f=-0.72) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.209 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.634 K(o=-0.63,f=-4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.084 -20.280 3.132 1.00 32.34 N ATOM 2 CA LYS A 1 -15.875 -19.814 3.800 1.00 3.11 C ATOM 3 C LYS A 1 -15.057 -19.034 2.806 1.00 25.42 C ATOM 4 O LYS A 1 -15.148 -19.292 1.608 1.00 21.35 O ATOM 5 CB LYS A 1 -15.049 -21.008 4.342 1.00 43.44 C ATOM 6 CG LYS A 1 -14.526 -21.954 3.261 1.00 51.41 C ATOM 7 CD LYS A 1 -13.675 -23.083 3.829 1.00 50.11 C ATOM 8 CE LYS A 1 -14.472 -23.998 4.739 1.00 44.01 C ATOM 9 NZ LYS A 1 -13.642 -25.090 5.283 1.00 42.25 N ATOM 0 H1 LYS A 1 -17.242 -21.282 3.360 1.00 32.34 H new ATOM 0 H2 LYS A 1 -17.898 -19.719 3.456 1.00 32.34 H new ATOM 0 H3 LYS A 1 -16.976 -20.171 2.103 1.00 32.34 H new ATOM 0 HA LYS A 1 -16.147 -19.184 4.647 1.00 3.11 H new ATOM 0 HB2 LYS A 1 -14.203 -20.621 4.910 1.00 43.44 H new ATOM 0 HB3 LYS A 1 -15.667 -21.576 5.037 1.00 43.44 H new ATOM 0 HG2 LYS A 1 -15.369 -22.379 2.717 1.00 51.41 H new ATOM 0 HG3 LYS A 1 -13.936 -21.386 2.542 1.00 51.41 H new ATOM 0 HD2 LYS A 1 -13.253 -23.665 3.010 1.00 50.11 H new ATOM 0 HD3 LYS A 1 -12.837 -22.661 4.384 1.00 50.11 H new ATOM 0 HE2 LYS A 1 -14.892 -23.417 5.560 1.00 44.01 H new ATOM 0 HE3 LYS A 1 -15.311 -24.420 4.185 1.00 44.01 H new ATOM 0 HZ1 LYS A 1 -14.223 -25.693 5.900 1.00 42.25 H new ATOM 0 HZ2 LYS A 1 -13.261 -25.660 4.501 1.00 42.25 H new ATOM 0 HZ3 LYS A 1 -12.856 -24.688 5.833 1.00 42.25 H new ATOM 23 N PRO A 2 -14.263 -18.058 3.260 1.00 74.14 N ATOM 24 CA PRO A 2 -13.395 -17.311 2.371 1.00 73.24 C ATOM 25 C PRO A 2 -12.234 -18.184 1.892 1.00 15.43 C ATOM 26 O PRO A 2 -11.234 -18.377 2.611 1.00 44.21 O ATOM 27 CB PRO A 2 -12.891 -16.148 3.234 1.00 52.03 C ATOM 28 CG PRO A 2 -12.985 -16.653 4.633 1.00 5.51 C ATOM 29 CD PRO A 2 -14.163 -17.589 4.661 1.00 3.33 C ATOM 0 HA PRO A 2 -13.905 -16.969 1.471 1.00 73.24 H new ATOM 0 HB2 PRO A 2 -11.867 -15.878 2.977 1.00 52.03 H new ATOM 0 HB3 PRO A 2 -13.501 -15.256 3.092 1.00 52.03 H new ATOM 0 HG2 PRO A 2 -12.070 -17.169 4.923 1.00 5.51 H new ATOM 0 HG3 PRO A 2 -13.124 -15.831 5.335 1.00 5.51 H new ATOM 0 HD2 PRO A 2 -14.002 -18.417 5.351 1.00 3.33 H new ATOM 0 HD3 PRO A 2 -15.073 -17.080 4.980 1.00 3.33 H new ATOM 37 N VAL A 3 -12.394 -18.773 0.726 1.00 11.25 N ATOM 38 CA VAL A 3 -11.367 -19.624 0.167 1.00 60.24 C ATOM 39 C VAL A 3 -10.308 -18.785 -0.509 1.00 55.51 C ATOM 40 O VAL A 3 -10.638 -17.802 -1.206 1.00 21.54 O ATOM 41 CB VAL A 3 -11.931 -20.704 -0.800 1.00 13.25 C ATOM 42 CG1 VAL A 3 -12.819 -21.676 -0.046 1.00 22.12 C ATOM 43 CG2 VAL A 3 -12.713 -20.071 -1.934 1.00 2.32 C ATOM 0 H VAL A 3 -13.228 -18.677 0.146 1.00 11.25 H new ATOM 0 HA VAL A 3 -10.916 -20.170 0.996 1.00 60.24 H new ATOM 0 HB VAL A 3 -11.085 -21.244 -1.225 1.00 13.25 H new ATOM 0 HG11 VAL A 3 -13.206 -22.426 -0.736 1.00 22.12 H new ATOM 0 HG12 VAL A 3 -12.239 -22.167 0.736 1.00 22.12 H new ATOM 0 HG13 VAL A 3 -13.650 -21.134 0.405 1.00 22.12 H new ATOM 0 HG21 VAL A 3 -13.094 -20.851 -2.593 1.00 2.32 H new ATOM 0 HG22 VAL A 3 -13.547 -19.500 -1.526 1.00 2.32 H new ATOM 0 HG23 VAL A 3 -12.060 -19.406 -2.499 1.00 2.32 H new ATOM 53 N SER A 4 -9.048 -19.149 -0.278 1.00 4.40 N ATOM 54 CA SER A 4 -7.888 -18.401 -0.753 1.00 32.32 C ATOM 55 C SER A 4 -7.790 -17.042 -0.022 1.00 64.42 C ATOM 56 O SER A 4 -8.791 -16.519 0.509 1.00 34.13 O ATOM 57 CB SER A 4 -7.914 -18.238 -2.292 1.00 21.21 C ATOM 58 OG SER A 4 -7.949 -19.519 -2.932 1.00 43.22 O ATOM 0 H SER A 4 -8.802 -19.985 0.253 1.00 4.40 H new ATOM 0 HA SER A 4 -6.988 -18.969 -0.517 1.00 32.32 H new ATOM 0 HB2 SER A 4 -8.786 -17.654 -2.587 1.00 21.21 H new ATOM 0 HB3 SER A 4 -7.034 -17.685 -2.620 1.00 21.21 H new ATOM 0 HG SER A 4 -7.967 -19.398 -3.904 1.00 43.22 H new ATOM 64 N LEU A 5 -6.615 -16.491 0.044 1.00 31.44 N ATOM 65 CA LEU A 5 -6.436 -15.239 0.719 1.00 24.41 C ATOM 66 C LEU A 5 -5.385 -14.429 0.006 1.00 3.12 C ATOM 67 O LEU A 5 -4.241 -14.854 -0.125 1.00 44.34 O ATOM 68 CB LEU A 5 -6.073 -15.482 2.225 1.00 25.03 C ATOM 69 CG LEU A 5 -6.036 -14.256 3.199 1.00 41.13 C ATOM 70 CD1 LEU A 5 -5.914 -14.738 4.630 1.00 53.30 C ATOM 71 CD2 LEU A 5 -4.876 -13.308 2.903 1.00 22.11 C ATOM 0 H LEU A 5 -5.767 -16.887 -0.360 1.00 31.44 H new ATOM 0 HA LEU A 5 -7.366 -14.672 0.700 1.00 24.41 H new ATOM 0 HB2 LEU A 5 -6.789 -16.200 2.625 1.00 25.03 H new ATOM 0 HB3 LEU A 5 -5.093 -15.958 2.256 1.00 25.03 H new ATOM 0 HG LEU A 5 -6.967 -13.709 3.052 1.00 41.13 H new ATOM 0 HD11 LEU A 5 -5.889 -13.880 5.302 1.00 53.30 H new ATOM 0 HD12 LEU A 5 -6.770 -15.367 4.876 1.00 53.30 H new ATOM 0 HD13 LEU A 5 -4.996 -15.314 4.743 1.00 53.30 H new ATOM 0 HD21 LEU A 5 -4.897 -12.476 3.607 1.00 22.11 H new ATOM 0 HD22 LEU A 5 -3.933 -13.845 3.004 1.00 22.11 H new ATOM 0 HD23 LEU A 5 -4.969 -12.926 1.887 1.00 22.11 H new ATOM 83 N SER A 6 -5.781 -13.295 -0.470 1.00 74.35 N ATOM 84 CA SER A 6 -4.890 -12.363 -1.072 1.00 21.04 C ATOM 85 C SER A 6 -5.254 -10.980 -0.572 1.00 24.33 C ATOM 86 O SER A 6 -6.236 -10.372 -1.022 1.00 20.40 O ATOM 87 CB SER A 6 -4.903 -12.474 -2.609 1.00 4.22 C ATOM 88 OG SER A 6 -6.218 -12.373 -3.130 1.00 33.41 O ATOM 0 H SER A 6 -6.753 -12.985 -0.450 1.00 74.35 H new ATOM 0 HA SER A 6 -3.861 -12.582 -0.785 1.00 21.04 H new ATOM 0 HB2 SER A 6 -4.281 -11.688 -3.036 1.00 4.22 H new ATOM 0 HB3 SER A 6 -4.465 -13.426 -2.909 1.00 4.22 H new ATOM 0 HG SER A 6 -6.713 -11.686 -2.637 1.00 33.41 H new ATOM 94 N TYR A 7 -4.510 -10.536 0.414 1.00 62.13 N ATOM 95 CA TYR A 7 -4.743 -9.280 1.089 1.00 41.11 C ATOM 96 C TYR A 7 -4.789 -8.129 0.094 1.00 50.32 C ATOM 97 O TYR A 7 -3.842 -7.896 -0.649 1.00 40.11 O ATOM 98 CB TYR A 7 -3.643 -9.061 2.144 1.00 3.12 C ATOM 99 CG TYR A 7 -3.803 -7.823 2.999 1.00 54.25 C ATOM 100 CD1 TYR A 7 -4.647 -7.825 4.104 1.00 11.44 C ATOM 101 CD2 TYR A 7 -3.099 -6.661 2.716 1.00 64.41 C ATOM 102 CE1 TYR A 7 -4.785 -6.705 4.898 1.00 43.42 C ATOM 103 CE2 TYR A 7 -3.234 -5.538 3.503 1.00 61.14 C ATOM 104 CZ TYR A 7 -4.075 -5.565 4.593 1.00 72.43 C ATOM 105 OH TYR A 7 -4.211 -4.445 5.383 1.00 32.31 O ATOM 0 H TYR A 7 -3.707 -11.050 0.778 1.00 62.13 H new ATOM 0 HA TYR A 7 -5.711 -9.313 1.588 1.00 41.11 H new ATOM 0 HB2 TYR A 7 -3.612 -9.932 2.798 1.00 3.12 H new ATOM 0 HB3 TYR A 7 -2.680 -9.009 1.636 1.00 3.12 H new ATOM 0 HD1 TYR A 7 -5.204 -8.718 4.345 1.00 11.44 H new ATOM 0 HD2 TYR A 7 -2.434 -6.636 1.865 1.00 64.41 H new ATOM 0 HE1 TYR A 7 -5.445 -6.722 5.753 1.00 43.42 H new ATOM 0 HE2 TYR A 7 -2.682 -4.640 3.266 1.00 61.14 H new ATOM 0 HH TYR A 7 -3.324 -4.112 5.634 1.00 32.31 H new ATOM 115 N ARG A 8 -5.907 -7.446 0.058 1.00 32.21 N ATOM 116 CA ARG A 8 -6.059 -6.324 -0.817 1.00 4.12 C ATOM 117 C ARG A 8 -5.367 -5.101 -0.294 1.00 42.41 C ATOM 118 O ARG A 8 -5.273 -4.894 0.920 1.00 64.14 O ATOM 119 CB ARG A 8 -7.520 -6.047 -1.192 1.00 14.55 C ATOM 120 CG ARG A 8 -8.074 -6.950 -2.288 1.00 11.42 C ATOM 121 CD ARG A 8 -7.255 -6.753 -3.554 1.00 72.04 C ATOM 122 NE ARG A 8 -7.795 -7.415 -4.736 1.00 32.33 N ATOM 123 CZ ARG A 8 -7.179 -7.384 -5.930 1.00 4.40 C ATOM 124 NH1 ARG A 8 -5.921 -6.947 -6.011 1.00 5.55 N ATOM 125 NH2 ARG A 8 -7.780 -7.850 -7.010 1.00 0.40 N ATOM 0 H ARG A 8 -6.725 -7.654 0.630 1.00 32.21 H new ATOM 0 HA ARG A 8 -5.559 -6.599 -1.746 1.00 4.12 H new ATOM 0 HB2 ARG A 8 -8.138 -6.158 -0.301 1.00 14.55 H new ATOM 0 HB3 ARG A 8 -7.609 -5.010 -1.514 1.00 14.55 H new ATOM 0 HG2 ARG A 8 -8.034 -7.993 -1.972 1.00 11.42 H new ATOM 0 HG3 ARG A 8 -9.121 -6.714 -2.477 1.00 11.42 H new ATOM 0 HD2 ARG A 8 -7.175 -5.685 -3.757 1.00 72.04 H new ATOM 0 HD3 ARG A 8 -6.244 -7.121 -3.378 1.00 72.04 H new ATOM 0 HE ARG A 8 -8.676 -7.922 -4.653 1.00 32.33 H new ATOM 0 HH11 ARG A 8 -5.433 -6.639 -5.170 1.00 5.55 H new ATOM 0 HH12 ARG A 8 -5.447 -6.921 -6.914 1.00 5.55 H new ATOM 0 HH21 ARG A 8 -8.721 -8.238 -6.943 1.00 0.40 H new ATOM 0 HH22 ARG A 8 -7.303 -7.822 -7.911 1.00 0.40 H new ATOM 139 N CYS A 9 -4.874 -4.316 -1.219 1.00 65.24 N ATOM 140 CA CYS A 9 -4.124 -3.118 -0.953 1.00 52.14 C ATOM 141 C CYS A 9 -4.937 -2.187 -0.038 1.00 14.02 C ATOM 142 O CYS A 9 -6.091 -1.860 -0.350 1.00 45.23 O ATOM 143 CB CYS A 9 -3.854 -2.427 -2.287 1.00 34.04 C ATOM 144 SG CYS A 9 -3.322 -3.565 -3.641 1.00 74.34 S ATOM 0 H CYS A 9 -4.989 -4.503 -2.215 1.00 65.24 H new ATOM 0 HA CYS A 9 -3.185 -3.360 -0.454 1.00 52.14 H new ATOM 0 HB2 CYS A 9 -4.758 -1.905 -2.602 1.00 34.04 H new ATOM 0 HB3 CYS A 9 -3.083 -1.670 -2.141 1.00 34.04 H new ATOM 149 N PRO A 10 -4.364 -1.784 1.127 1.00 43.20 N ATOM 150 CA PRO A 10 -5.038 -0.898 2.097 1.00 34.30 C ATOM 151 C PRO A 10 -5.413 0.444 1.485 1.00 43.41 C ATOM 152 O PRO A 10 -6.394 1.075 1.889 1.00 15.10 O ATOM 153 CB PRO A 10 -3.984 -0.694 3.194 1.00 42.13 C ATOM 154 CG PRO A 10 -3.072 -1.856 3.061 1.00 62.12 C ATOM 155 CD PRO A 10 -3.026 -2.182 1.599 1.00 0.45 C ATOM 0 HA PRO A 10 -5.972 -1.330 2.456 1.00 34.30 H new ATOM 0 HB2 PRO A 10 -3.449 0.246 3.059 1.00 42.13 H new ATOM 0 HB3 PRO A 10 -4.442 -0.662 4.182 1.00 42.13 H new ATOM 0 HG2 PRO A 10 -2.078 -1.617 3.438 1.00 62.12 H new ATOM 0 HG3 PRO A 10 -3.436 -2.706 3.639 1.00 62.12 H new ATOM 0 HD2 PRO A 10 -2.237 -1.630 1.087 1.00 0.45 H new ATOM 0 HD3 PRO A 10 -2.837 -3.242 1.428 1.00 0.45 H new ATOM 163 N CYS A 11 -4.637 0.877 0.534 1.00 20.25 N ATOM 164 CA CYS A 11 -4.901 2.101 -0.149 1.00 74.42 C ATOM 165 C CYS A 11 -5.682 1.813 -1.405 1.00 12.14 C ATOM 166 O CYS A 11 -5.129 1.360 -2.405 1.00 52.14 O ATOM 167 CB CYS A 11 -3.602 2.820 -0.469 1.00 74.43 C ATOM 168 SG CYS A 11 -2.620 3.213 1.010 1.00 40.44 S ATOM 0 H CYS A 11 -3.802 0.387 0.213 1.00 20.25 H new ATOM 0 HA CYS A 11 -5.493 2.754 0.492 1.00 74.42 H new ATOM 0 HB2 CYS A 11 -3.006 2.200 -1.139 1.00 74.43 H new ATOM 0 HB3 CYS A 11 -3.827 3.743 -1.004 1.00 74.43 H new ATOM 173 N ARG A 12 -6.975 2.021 -1.333 1.00 62.15 N ATOM 174 CA ARG A 12 -7.846 1.763 -2.457 1.00 14.15 C ATOM 175 C ARG A 12 -7.849 2.950 -3.399 1.00 25.20 C ATOM 176 O ARG A 12 -8.056 2.804 -4.609 1.00 73.20 O ATOM 177 CB ARG A 12 -9.263 1.452 -1.975 1.00 15.02 C ATOM 178 CG ARG A 12 -9.345 0.232 -1.070 1.00 74.31 C ATOM 179 CD ARG A 12 -10.767 -0.041 -0.619 1.00 60.44 C ATOM 180 NE ARG A 12 -10.841 -1.226 0.252 1.00 73.42 N ATOM 181 CZ ARG A 12 -11.958 -1.710 0.809 1.00 64.44 C ATOM 182 NH1 ARG A 12 -13.125 -1.112 0.603 1.00 74.41 N ATOM 183 NH2 ARG A 12 -11.900 -2.792 1.570 1.00 12.23 N ATOM 0 H ARG A 12 -7.451 2.371 -0.501 1.00 62.15 H new ATOM 0 HA ARG A 12 -7.472 0.893 -2.997 1.00 14.15 H new ATOM 0 HB2 ARG A 12 -9.654 2.318 -1.440 1.00 15.02 H new ATOM 0 HB3 ARG A 12 -9.906 1.295 -2.841 1.00 15.02 H new ATOM 0 HG2 ARG A 12 -8.958 -0.639 -1.599 1.00 74.31 H new ATOM 0 HG3 ARG A 12 -8.710 0.384 -0.197 1.00 74.31 H new ATOM 0 HD2 ARG A 12 -11.153 0.828 -0.086 1.00 60.44 H new ATOM 0 HD3 ARG A 12 -11.404 -0.189 -1.491 1.00 60.44 H new ATOM 0 HE ARG A 12 -9.969 -1.719 0.447 1.00 73.42 H new ATOM 0 HH11 ARG A 12 -13.175 -0.278 0.017 1.00 74.41 H new ATOM 0 HH12 ARG A 12 -13.972 -1.486 1.030 1.00 74.41 H new ATOM 0 HH21 ARG A 12 -11.005 -3.255 1.731 1.00 12.23 H new ATOM 0 HH22 ARG A 12 -12.750 -3.162 1.995 1.00 12.23 H new ATOM 197 N PHE A 13 -7.594 4.112 -2.847 1.00 10.33 N ATOM 198 CA PHE A 13 -7.552 5.334 -3.605 1.00 71.10 C ATOM 199 C PHE A 13 -6.347 6.146 -3.191 1.00 21.41 C ATOM 200 O PHE A 13 -5.845 5.993 -2.069 1.00 0.31 O ATOM 201 CB PHE A 13 -8.842 6.147 -3.422 1.00 14.02 C ATOM 202 CG PHE A 13 -9.094 6.596 -2.020 1.00 52.41 C ATOM 203 CD1 PHE A 13 -9.645 5.736 -1.107 1.00 42.45 C ATOM 204 CD2 PHE A 13 -8.781 7.879 -1.630 1.00 54.14 C ATOM 205 CE1 PHE A 13 -9.888 6.140 0.190 1.00 45.31 C ATOM 206 CE2 PHE A 13 -9.017 8.300 -0.337 1.00 34.33 C ATOM 207 CZ PHE A 13 -9.572 7.427 0.577 1.00 21.32 C ATOM 0 H PHE A 13 -7.409 4.234 -1.851 1.00 10.33 H new ATOM 0 HA PHE A 13 -7.470 5.084 -4.663 1.00 71.10 H new ATOM 0 HB2 PHE A 13 -8.800 7.023 -4.069 1.00 14.02 H new ATOM 0 HB3 PHE A 13 -9.687 5.545 -3.755 1.00 14.02 H new ATOM 0 HD1 PHE A 13 -9.893 4.728 -1.406 1.00 42.45 H new ATOM 0 HD2 PHE A 13 -8.346 8.563 -2.344 1.00 54.14 H new ATOM 0 HE1 PHE A 13 -10.324 5.452 0.899 1.00 45.31 H new ATOM 0 HE2 PHE A 13 -8.768 9.309 -0.041 1.00 34.33 H new ATOM 0 HZ PHE A 13 -9.758 7.749 1.591 1.00 21.32 H new ATOM 217 N PHE A 14 -5.870 6.967 -4.080 1.00 42.34 N ATOM 218 CA PHE A 14 -4.738 7.818 -3.808 1.00 22.54 C ATOM 219 C PHE A 14 -5.129 9.253 -4.018 1.00 62.22 C ATOM 220 O PHE A 14 -5.992 9.538 -4.851 1.00 73.14 O ATOM 221 CB PHE A 14 -3.564 7.516 -4.745 1.00 22.53 C ATOM 222 CG PHE A 14 -3.087 6.101 -4.749 1.00 43.31 C ATOM 223 CD1 PHE A 14 -2.519 5.538 -3.623 1.00 21.14 C ATOM 224 CD2 PHE A 14 -3.201 5.338 -5.890 1.00 63.21 C ATOM 225 CE1 PHE A 14 -2.077 4.234 -3.636 1.00 73.12 C ATOM 226 CE2 PHE A 14 -2.763 4.042 -5.913 1.00 55.51 C ATOM 227 CZ PHE A 14 -2.196 3.481 -4.785 1.00 2.21 C ATOM 0 H PHE A 14 -6.253 7.069 -5.020 1.00 42.34 H new ATOM 0 HA PHE A 14 -4.432 7.634 -2.778 1.00 22.54 H new ATOM 0 HB2 PHE A 14 -3.855 7.785 -5.760 1.00 22.53 H new ATOM 0 HB3 PHE A 14 -2.729 8.161 -4.471 1.00 22.53 H new ATOM 0 HD1 PHE A 14 -2.420 6.127 -2.723 1.00 21.14 H new ATOM 0 HD2 PHE A 14 -3.642 5.768 -6.777 1.00 63.21 H new ATOM 0 HE1 PHE A 14 -1.638 3.802 -2.749 1.00 73.12 H new ATOM 0 HE2 PHE A 14 -2.861 3.456 -6.815 1.00 55.51 H new ATOM 0 HZ PHE A 14 -1.848 2.459 -4.803 1.00 2.21 H new ATOM 237 N GLU A 15 -4.530 10.156 -3.255 1.00 3.12 N ATOM 238 CA GLU A 15 -4.685 11.600 -3.517 1.00 12.41 C ATOM 239 C GLU A 15 -4.249 11.911 -4.938 1.00 35.44 C ATOM 240 O GLU A 15 -4.849 12.744 -5.616 1.00 13.22 O ATOM 241 CB GLU A 15 -3.809 12.426 -2.581 1.00 30.42 C ATOM 242 CG GLU A 15 -4.308 12.574 -1.181 1.00 2.40 C ATOM 243 CD GLU A 15 -5.566 13.395 -1.129 1.00 42.23 C ATOM 244 OE1 GLU A 15 -5.472 14.633 -1.183 1.00 32.21 O ATOM 245 OE2 GLU A 15 -6.663 12.823 -1.053 1.00 63.45 O ATOM 0 H GLU A 15 -3.937 9.930 -2.457 1.00 3.12 H new ATOM 0 HA GLU A 15 -5.734 11.852 -3.360 1.00 12.41 H new ATOM 0 HB2 GLU A 15 -2.819 11.972 -2.547 1.00 30.42 H new ATOM 0 HB3 GLU A 15 -3.689 13.421 -3.010 1.00 30.42 H new ATOM 0 HG2 GLU A 15 -4.497 11.589 -0.755 1.00 2.40 H new ATOM 0 HG3 GLU A 15 -3.540 13.044 -0.567 1.00 2.40 H new ATOM 252 N SER A 16 -3.198 11.199 -5.369 1.00 4.25 N ATOM 253 CA SER A 16 -2.512 11.348 -6.660 1.00 22.41 C ATOM 254 C SER A 16 -1.824 12.710 -6.791 1.00 21.01 C ATOM 255 O SER A 16 -0.630 12.776 -6.971 1.00 2.32 O ATOM 256 CB SER A 16 -3.378 10.952 -7.892 1.00 53.25 C ATOM 257 OG SER A 16 -4.560 11.740 -8.022 1.00 11.44 O ATOM 0 H SER A 16 -2.782 10.465 -4.796 1.00 4.25 H new ATOM 0 HA SER A 16 -1.714 10.606 -6.662 1.00 22.41 H new ATOM 0 HB2 SER A 16 -2.779 11.054 -8.797 1.00 53.25 H new ATOM 0 HB3 SER A 16 -3.656 9.901 -7.810 1.00 53.25 H new ATOM 0 HG SER A 16 -4.593 12.402 -7.300 1.00 11.44 H new ATOM 263 N HIS A 17 -2.566 13.783 -6.660 1.00 34.44 N ATOM 264 CA HIS A 17 -1.969 15.087 -6.668 1.00 54.11 C ATOM 265 C HIS A 17 -1.539 15.410 -5.255 1.00 24.43 C ATOM 266 O HIS A 17 -2.355 15.825 -4.430 1.00 41.01 O ATOM 267 CB HIS A 17 -2.937 16.155 -7.186 1.00 65.22 C ATOM 268 CG HIS A 17 -2.281 17.491 -7.344 1.00 30.04 C ATOM 269 ND1 HIS A 17 -1.597 17.845 -8.474 1.00 32.04 N ATOM 270 CD2 HIS A 17 -2.163 18.538 -6.490 1.00 5.12 C ATOM 271 CE1 HIS A 17 -1.080 19.031 -8.318 1.00 11.13 C ATOM 272 NE2 HIS A 17 -1.407 19.482 -7.125 1.00 63.41 N ATOM 0 H HIS A 17 -3.580 13.775 -6.547 1.00 34.44 H new ATOM 0 HA HIS A 17 -1.113 15.085 -7.343 1.00 54.11 H new ATOM 0 HB2 HIS A 17 -3.344 15.837 -8.146 1.00 65.22 H new ATOM 0 HB3 HIS A 17 -3.777 16.245 -6.497 1.00 65.22 H new ATOM 0 HD2 HIS A 17 -2.585 18.611 -5.499 1.00 5.12 H new ATOM 0 HE1 HIS A 17 -0.482 19.557 -9.047 1.00 11.13 H new ATOM 0 HE2 HIS A 17 -1.140 20.387 -6.739 1.00 63.41 H new ATOM 281 N VAL A 18 -0.299 15.140 -4.957 1.00 21.11 N ATOM 282 CA VAL A 18 0.230 15.383 -3.649 1.00 34.14 C ATOM 283 C VAL A 18 1.462 16.245 -3.790 1.00 2.31 C ATOM 284 O VAL A 18 2.227 16.057 -4.730 1.00 53.34 O ATOM 285 CB VAL A 18 0.611 14.066 -2.933 1.00 65.21 C ATOM 286 CG1 VAL A 18 0.957 14.326 -1.480 1.00 50.10 C ATOM 287 CG2 VAL A 18 -0.498 13.044 -3.045 1.00 41.52 C ATOM 0 H VAL A 18 0.372 14.745 -5.616 1.00 21.11 H new ATOM 0 HA VAL A 18 -0.533 15.879 -3.050 1.00 34.14 H new ATOM 0 HB VAL A 18 1.493 13.659 -3.428 1.00 65.21 H new ATOM 0 HG11 VAL A 18 1.222 13.386 -0.995 1.00 50.10 H new ATOM 0 HG12 VAL A 18 1.801 15.014 -1.424 1.00 50.10 H new ATOM 0 HG13 VAL A 18 0.097 14.765 -0.974 1.00 50.10 H new ATOM 0 HG21 VAL A 18 -0.202 12.129 -2.533 1.00 41.52 H new ATOM 0 HG22 VAL A 18 -1.405 13.439 -2.587 1.00 41.52 H new ATOM 0 HG23 VAL A 18 -0.687 12.826 -4.096 1.00 41.52 H new ATOM 297 N ALA A 19 1.633 17.191 -2.911 1.00 55.11 N ATOM 298 CA ALA A 19 2.802 18.040 -2.948 1.00 20.33 C ATOM 299 C ALA A 19 3.677 17.786 -1.725 1.00 54.24 C ATOM 300 O ALA A 19 3.166 17.675 -0.608 1.00 73.24 O ATOM 301 CB ALA A 19 2.386 19.498 -3.019 1.00 41.32 C ATOM 0 H ALA A 19 0.979 17.398 -2.156 1.00 55.11 H new ATOM 0 HA ALA A 19 3.383 17.804 -3.839 1.00 20.33 H new ATOM 0 HB1 ALA A 19 3.274 20.129 -3.046 1.00 41.32 H new ATOM 0 HB2 ALA A 19 1.795 19.664 -3.920 1.00 41.32 H new ATOM 0 HB3 ALA A 19 1.789 19.749 -2.142 1.00 41.32 H new ATOM 307 N ARG A 20 4.991 17.707 -1.944 1.00 31.53 N ATOM 308 CA ARG A 20 5.988 17.456 -0.886 1.00 31.21 C ATOM 309 C ARG A 20 5.812 18.416 0.300 1.00 13.55 C ATOM 310 O ARG A 20 5.882 18.005 1.462 1.00 11.04 O ATOM 311 CB ARG A 20 7.418 17.611 -1.455 1.00 10.32 C ATOM 312 CG ARG A 20 8.546 17.372 -0.440 1.00 64.32 C ATOM 313 CD ARG A 20 8.597 15.933 0.030 1.00 55.44 C ATOM 314 NE ARG A 20 9.628 15.700 1.063 1.00 40.50 N ATOM 315 CZ ARG A 20 10.573 14.733 1.017 1.00 31.11 C ATOM 316 NH1 ARG A 20 10.789 14.048 -0.110 1.00 71.13 N ATOM 317 NH2 ARG A 20 11.334 14.508 2.081 1.00 1.44 N ATOM 0 H ARG A 20 5.404 17.816 -2.870 1.00 31.53 H new ATOM 0 HA ARG A 20 5.835 16.437 -0.530 1.00 31.21 H new ATOM 0 HB2 ARG A 20 7.541 16.914 -2.284 1.00 10.32 H new ATOM 0 HB3 ARG A 20 7.524 18.616 -1.864 1.00 10.32 H new ATOM 0 HG2 ARG A 20 9.501 17.639 -0.892 1.00 64.32 H new ATOM 0 HG3 ARG A 20 8.405 18.028 0.419 1.00 64.32 H new ATOM 0 HD2 ARG A 20 7.622 15.651 0.428 1.00 55.44 H new ATOM 0 HD3 ARG A 20 8.793 15.284 -0.824 1.00 55.44 H new ATOM 0 HE ARG A 20 9.627 16.317 1.875 1.00 40.50 H new ATOM 0 HH11 ARG A 20 10.239 14.253 -0.944 1.00 71.13 H new ATOM 0 HH12 ARG A 20 11.504 13.321 -0.136 1.00 71.13 H new ATOM 0 HH21 ARG A 20 11.205 15.063 2.927 1.00 1.44 H new ATOM 0 HH22 ARG A 20 12.048 13.780 2.053 1.00 1.44 H new ATOM 331 N ALA A 21 5.564 19.678 0.000 1.00 51.51 N ATOM 332 CA ALA A 21 5.453 20.704 1.029 1.00 35.22 C ATOM 333 C ALA A 21 4.077 20.749 1.674 1.00 61.55 C ATOM 334 O ALA A 21 3.867 21.478 2.639 1.00 51.34 O ATOM 335 CB ALA A 21 5.794 22.048 0.460 1.00 21.22 C ATOM 0 H ALA A 21 5.435 20.021 -0.952 1.00 51.51 H new ATOM 0 HA ALA A 21 6.165 20.441 1.812 1.00 35.22 H new ATOM 0 HB1 ALA A 21 5.707 22.806 1.239 1.00 21.22 H new ATOM 0 HB2 ALA A 21 6.816 22.034 0.080 1.00 21.22 H new ATOM 0 HB3 ALA A 21 5.108 22.284 -0.353 1.00 21.22 H new ATOM 341 N ASN A 22 3.141 19.989 1.153 1.00 14.31 N ATOM 342 CA ASN A 22 1.804 19.952 1.736 1.00 75.43 C ATOM 343 C ASN A 22 1.679 18.695 2.575 1.00 14.41 C ATOM 344 O ASN A 22 0.643 18.409 3.171 1.00 65.13 O ATOM 345 CB ASN A 22 0.716 20.018 0.643 1.00 70.33 C ATOM 346 CG ASN A 22 -0.723 20.099 1.189 1.00 62.31 C ATOM 347 OD1 ASN A 22 -0.981 20.625 2.294 1.00 55.00 O ATOM 348 ND2 ASN A 22 -1.655 19.607 0.427 1.00 32.24 N ATOM 0 H ASN A 22 3.270 19.392 0.336 1.00 14.31 H new ATOM 0 HA ASN A 22 1.656 20.825 2.372 1.00 75.43 H new ATOM 0 HB2 ASN A 22 0.903 20.887 0.012 1.00 70.33 H new ATOM 0 HB3 ASN A 22 0.802 19.137 0.006 1.00 70.33 H new ATOM 0 HD21 ASN A 22 -2.630 19.644 0.725 1.00 32.24 H new ATOM 0 HD22 ASN A 22 -1.411 19.185 -0.469 1.00 32.24 H new ATOM 355 N VAL A 23 2.757 17.960 2.642 1.00 34.24 N ATOM 356 CA VAL A 23 2.778 16.753 3.424 1.00 54.53 C ATOM 357 C VAL A 23 3.352 17.001 4.805 1.00 62.42 C ATOM 358 O VAL A 23 4.464 17.505 4.959 1.00 61.31 O ATOM 359 CB VAL A 23 3.520 15.585 2.733 1.00 0.20 C ATOM 360 CG1 VAL A 23 3.600 14.400 3.660 1.00 1.52 C ATOM 361 CG2 VAL A 23 2.838 15.200 1.427 1.00 55.44 C ATOM 0 H VAL A 23 3.632 18.176 2.164 1.00 34.24 H new ATOM 0 HA VAL A 23 1.736 16.447 3.522 1.00 54.53 H new ATOM 0 HB VAL A 23 4.532 15.914 2.496 1.00 0.20 H new ATOM 0 HG11 VAL A 23 4.124 13.584 3.163 1.00 1.52 H new ATOM 0 HG12 VAL A 23 4.140 14.681 4.564 1.00 1.52 H new ATOM 0 HG13 VAL A 23 2.593 14.077 3.925 1.00 1.52 H new ATOM 0 HG21 VAL A 23 3.380 14.377 0.962 1.00 55.44 H new ATOM 0 HG22 VAL A 23 1.813 14.891 1.629 1.00 55.44 H new ATOM 0 HG23 VAL A 23 2.832 16.057 0.753 1.00 55.44 H new ATOM 371 N LYS A 24 2.569 16.667 5.789 1.00 31.42 N ATOM 372 CA LYS A 24 2.910 16.796 7.167 1.00 14.52 C ATOM 373 C LYS A 24 3.656 15.545 7.632 1.00 60.50 C ATOM 374 O LYS A 24 4.668 15.622 8.329 1.00 65.21 O ATOM 375 CB LYS A 24 1.613 16.867 7.980 1.00 13.04 C ATOM 376 CG LYS A 24 1.822 17.296 9.398 1.00 43.33 C ATOM 377 CD LYS A 24 1.986 18.780 9.422 1.00 20.14 C ATOM 378 CE LYS A 24 0.632 19.467 9.387 1.00 23.44 C ATOM 379 NZ LYS A 24 -0.130 19.291 10.649 1.00 34.04 N ATOM 0 H LYS A 24 1.636 16.281 5.642 1.00 31.42 H new ATOM 0 HA LYS A 24 3.526 17.685 7.303 1.00 14.52 H new ATOM 0 HB2 LYS A 24 0.927 17.562 7.496 1.00 13.04 H new ATOM 0 HB3 LYS A 24 1.134 15.888 7.971 1.00 13.04 H new ATOM 0 HG2 LYS A 24 0.973 16.998 10.013 1.00 43.33 H new ATOM 0 HG3 LYS A 24 2.704 16.810 9.815 1.00 43.33 H new ATOM 0 HD2 LYS A 24 2.528 19.077 10.320 1.00 20.14 H new ATOM 0 HD3 LYS A 24 2.584 19.099 8.569 1.00 20.14 H new ATOM 0 HE2 LYS A 24 0.773 20.531 9.198 1.00 23.44 H new ATOM 0 HE3 LYS A 24 0.049 19.070 8.556 1.00 23.44 H new ATOM 0 HZ1 LYS A 24 -0.851 20.036 10.726 1.00 34.04 H new ATOM 0 HZ2 LYS A 24 -0.593 18.360 10.648 1.00 34.04 H new ATOM 0 HZ3 LYS A 24 0.520 19.353 11.459 1.00 34.04 H new ATOM 393 N HIS A 25 3.141 14.405 7.216 1.00 35.03 N ATOM 394 CA HIS A 25 3.592 13.105 7.693 1.00 4.12 C ATOM 395 C HIS A 25 3.685 12.114 6.545 1.00 33.34 C ATOM 396 O HIS A 25 2.748 11.991 5.786 1.00 1.35 O ATOM 397 CB HIS A 25 2.568 12.603 8.742 1.00 65.34 C ATOM 398 CG HIS A 25 2.754 11.189 9.236 1.00 64.13 C ATOM 399 ND1 HIS A 25 3.301 10.876 10.454 1.00 21.43 N ATOM 400 CD2 HIS A 25 2.392 10.005 8.673 1.00 44.01 C ATOM 401 CE1 HIS A 25 3.270 9.569 10.627 1.00 5.12 C ATOM 402 NE2 HIS A 25 2.723 9.018 9.563 1.00 62.33 N ATOM 0 H HIS A 25 2.389 14.351 6.529 1.00 35.03 H new ATOM 0 HA HIS A 25 4.584 13.196 8.136 1.00 4.12 H new ATOM 0 HB2 HIS A 25 2.603 13.273 9.601 1.00 65.34 H new ATOM 0 HB3 HIS A 25 1.570 12.687 8.313 1.00 65.34 H new ATOM 0 HD1 HIS A 25 3.674 11.550 11.123 1.00 21.43 H new ATOM 0 HD2 HIS A 25 1.930 9.869 7.706 1.00 44.01 H new ATOM 0 HE1 HIS A 25 3.632 9.039 11.496 1.00 5.12 H new ATOM 411 N LEU A 26 4.795 11.407 6.458 1.00 24.04 N ATOM 412 CA LEU A 26 5.010 10.372 5.443 1.00 52.31 C ATOM 413 C LEU A 26 5.196 8.998 6.075 1.00 22.51 C ATOM 414 O LEU A 26 6.174 8.750 6.785 1.00 24.23 O ATOM 415 CB LEU A 26 6.196 10.721 4.542 1.00 30.40 C ATOM 416 CG LEU A 26 5.961 11.849 3.547 1.00 74.22 C ATOM 417 CD1 LEU A 26 7.253 12.259 2.897 1.00 4.33 C ATOM 418 CD2 LEU A 26 4.995 11.382 2.473 1.00 34.33 C ATOM 0 H LEU A 26 5.585 11.529 7.091 1.00 24.04 H new ATOM 0 HA LEU A 26 4.114 10.333 4.824 1.00 52.31 H new ATOM 0 HB2 LEU A 26 7.042 10.990 5.174 1.00 30.40 H new ATOM 0 HB3 LEU A 26 6.483 9.827 3.988 1.00 30.40 H new ATOM 0 HG LEU A 26 5.546 12.703 4.082 1.00 74.22 H new ATOM 0 HD11 LEU A 26 7.064 13.066 2.189 1.00 4.33 H new ATOM 0 HD12 LEU A 26 7.952 12.602 3.660 1.00 4.33 H new ATOM 0 HD13 LEU A 26 7.681 11.407 2.369 1.00 4.33 H new ATOM 0 HD21 LEU A 26 4.826 12.189 1.760 1.00 34.33 H new ATOM 0 HD22 LEU A 26 5.417 10.521 1.954 1.00 34.33 H new ATOM 0 HD23 LEU A 26 4.048 11.100 2.933 1.00 34.33 H new ATOM 430 N LYS A 27 4.242 8.138 5.834 1.00 73.03 N ATOM 431 CA LYS A 27 4.222 6.792 6.317 1.00 0.03 C ATOM 432 C LYS A 27 4.337 5.871 5.112 1.00 21.54 C ATOM 433 O LYS A 27 3.607 6.041 4.163 1.00 23.54 O ATOM 434 CB LYS A 27 2.866 6.564 6.976 1.00 32.31 C ATOM 435 CG LYS A 27 2.674 5.207 7.566 1.00 0.40 C ATOM 436 CD LYS A 27 3.620 4.978 8.705 1.00 23.10 C ATOM 437 CE LYS A 27 3.435 3.611 9.239 1.00 74.14 C ATOM 438 NZ LYS A 27 4.309 3.329 10.395 1.00 65.01 N ATOM 0 H LYS A 27 3.424 8.372 5.271 1.00 73.03 H new ATOM 0 HA LYS A 27 5.031 6.604 7.023 1.00 0.03 H new ATOM 0 HB2 LYS A 27 2.730 7.308 7.761 1.00 32.31 H new ATOM 0 HB3 LYS A 27 2.085 6.736 6.235 1.00 32.31 H new ATOM 0 HG2 LYS A 27 1.647 5.100 7.915 1.00 0.40 H new ATOM 0 HG3 LYS A 27 2.831 4.448 6.800 1.00 0.40 H new ATOM 0 HD2 LYS A 27 4.648 5.112 8.369 1.00 23.10 H new ATOM 0 HD3 LYS A 27 3.443 5.713 9.491 1.00 23.10 H new ATOM 0 HE2 LYS A 27 2.394 3.478 9.534 1.00 74.14 H new ATOM 0 HE3 LYS A 27 3.637 2.886 8.450 1.00 74.14 H new ATOM 0 HZ1 LYS A 27 4.139 2.359 10.730 1.00 65.01 H new ATOM 0 HZ2 LYS A 27 5.304 3.428 10.110 1.00 65.01 H new ATOM 0 HZ3 LYS A 27 4.100 4.001 11.161 1.00 65.01 H new ATOM 452 N ILE A 28 5.233 4.916 5.123 1.00 12.23 N ATOM 453 CA ILE A 28 5.349 4.051 3.961 1.00 22.32 C ATOM 454 C ILE A 28 4.882 2.644 4.294 1.00 45.43 C ATOM 455 O ILE A 28 5.532 1.926 5.064 1.00 31.11 O ATOM 456 CB ILE A 28 6.786 3.993 3.404 1.00 63.21 C ATOM 457 CG1 ILE A 28 7.332 5.398 3.268 1.00 34.32 C ATOM 458 CG2 ILE A 28 6.784 3.348 2.027 1.00 71.42 C ATOM 459 CD1 ILE A 28 8.642 5.460 2.550 1.00 12.02 C ATOM 0 H ILE A 28 5.875 4.716 5.890 1.00 12.23 H new ATOM 0 HA ILE A 28 4.711 4.483 3.190 1.00 22.32 H new ATOM 0 HB ILE A 28 7.403 3.409 4.087 1.00 63.21 H new ATOM 0 HG12 ILE A 28 6.605 6.012 2.736 1.00 34.32 H new ATOM 0 HG13 ILE A 28 7.450 5.832 4.261 1.00 34.32 H new ATOM 0 HG21 ILE A 28 7.803 3.311 1.641 1.00 71.42 H new ATOM 0 HG22 ILE A 28 6.387 2.336 2.100 1.00 71.42 H new ATOM 0 HG23 ILE A 28 6.161 3.934 1.351 1.00 71.42 H new ATOM 0 HD11 ILE A 28 8.975 6.496 2.489 1.00 12.02 H new ATOM 0 HD12 ILE A 28 9.383 4.873 3.093 1.00 12.02 H new ATOM 0 HD13 ILE A 28 8.525 5.056 1.544 1.00 12.02 H new ATOM 471 N LEU A 29 3.774 2.255 3.738 1.00 2.31 N ATOM 472 CA LEU A 29 3.203 0.973 3.980 1.00 73.50 C ATOM 473 C LEU A 29 3.607 0.034 2.823 1.00 53.33 C ATOM 474 O LEU A 29 3.586 0.427 1.650 1.00 52.23 O ATOM 475 CB LEU A 29 1.662 1.159 4.103 1.00 12.43 C ATOM 476 CG LEU A 29 0.810 -0.005 4.625 1.00 62.43 C ATOM 477 CD1 LEU A 29 -0.599 0.488 4.914 1.00 25.14 C ATOM 478 CD2 LEU A 29 0.735 -1.154 3.638 1.00 43.34 C ATOM 0 H LEU A 29 3.235 2.833 3.093 1.00 2.31 H new ATOM 0 HA LEU A 29 3.563 0.521 4.904 1.00 73.50 H new ATOM 0 HB2 LEU A 29 1.485 2.014 4.755 1.00 12.43 H new ATOM 0 HB3 LEU A 29 1.283 1.427 3.117 1.00 12.43 H new ATOM 0 HG LEU A 29 1.287 -0.374 5.533 1.00 62.43 H new ATOM 0 HD11 LEU A 29 -1.205 -0.339 5.285 1.00 25.14 H new ATOM 0 HD12 LEU A 29 -0.562 1.276 5.666 1.00 25.14 H new ATOM 0 HD13 LEU A 29 -1.042 0.880 3.999 1.00 25.14 H new ATOM 0 HD21 LEU A 29 0.121 -1.952 4.055 1.00 43.34 H new ATOM 0 HD22 LEU A 29 0.292 -0.804 2.706 1.00 43.34 H new ATOM 0 HD23 LEU A 29 1.738 -1.532 3.443 1.00 43.34 H new ATOM 490 N ASN A 30 3.998 -1.175 3.166 1.00 11.00 N ATOM 491 CA ASN A 30 4.415 -2.170 2.184 1.00 13.23 C ATOM 492 C ASN A 30 3.552 -3.406 2.299 1.00 61.31 C ATOM 493 O ASN A 30 3.077 -3.735 3.390 1.00 33.14 O ATOM 494 CB ASN A 30 5.929 -2.510 2.291 1.00 22.41 C ATOM 495 CG ASN A 30 6.395 -3.064 3.648 1.00 2.30 C ATOM 496 OD1 ASN A 30 5.663 -3.736 4.373 1.00 2.51 O ATOM 497 ND2 ASN A 30 7.618 -2.775 3.993 1.00 2.31 N ATOM 0 H ASN A 30 4.038 -1.502 4.131 1.00 11.00 H new ATOM 0 HA ASN A 30 4.273 -1.741 1.192 1.00 13.23 H new ATOM 0 HB2 ASN A 30 6.174 -3.239 1.518 1.00 22.41 H new ATOM 0 HB3 ASN A 30 6.501 -1.609 2.072 1.00 22.41 H new ATOM 0 HD21 ASN A 30 7.989 -3.108 4.883 1.00 2.31 H new ATOM 0 HD22 ASN A 30 8.204 -2.216 3.373 1.00 2.31 H new ATOM 504 N THR A 31 3.310 -4.067 1.194 1.00 14.31 N ATOM 505 CA THR A 31 2.444 -5.226 1.189 1.00 63.34 C ATOM 506 C THR A 31 3.004 -6.359 0.323 1.00 23.42 C ATOM 507 O THR A 31 3.732 -6.099 -0.629 1.00 65.42 O ATOM 508 CB THR A 31 1.016 -4.842 0.752 1.00 71.25 C ATOM 509 OG1 THR A 31 1.085 -3.882 -0.300 1.00 13.22 O ATOM 510 CG2 THR A 31 0.195 -4.294 1.908 1.00 13.10 C ATOM 0 H THR A 31 3.700 -3.824 0.283 1.00 14.31 H new ATOM 0 HA THR A 31 2.398 -5.602 2.211 1.00 63.34 H new ATOM 0 HB THR A 31 0.516 -5.745 0.400 1.00 71.25 H new ATOM 0 HG1 THR A 31 1.093 -2.979 0.081 1.00 13.22 H new ATOM 0 HG21 THR A 31 -0.804 -4.036 1.555 1.00 13.10 H new ATOM 0 HG22 THR A 31 0.120 -5.049 2.691 1.00 13.10 H new ATOM 0 HG23 THR A 31 0.679 -3.403 2.308 1.00 13.10 H new ATOM 518 N PRO A 32 2.677 -7.629 0.667 1.00 45.22 N ATOM 519 CA PRO A 32 3.170 -8.829 -0.054 1.00 63.55 C ATOM 520 C PRO A 32 2.847 -8.826 -1.552 1.00 60.32 C ATOM 521 O PRO A 32 3.724 -9.016 -2.394 1.00 2.34 O ATOM 522 CB PRO A 32 2.392 -9.967 0.622 1.00 3.00 C ATOM 523 CG PRO A 32 2.113 -9.468 1.983 1.00 60.15 C ATOM 524 CD PRO A 32 1.820 -8.012 1.815 1.00 62.34 C ATOM 0 HA PRO A 32 4.256 -8.901 -0.001 1.00 63.55 H new ATOM 0 HB2 PRO A 32 1.470 -10.191 0.085 1.00 3.00 H new ATOM 0 HB3 PRO A 32 2.977 -10.886 0.649 1.00 3.00 H new ATOM 0 HG2 PRO A 32 1.267 -9.991 2.428 1.00 60.15 H new ATOM 0 HG3 PRO A 32 2.967 -9.624 2.642 1.00 60.15 H new ATOM 0 HD2 PRO A 32 0.765 -7.834 1.608 1.00 62.34 H new ATOM 0 HD3 PRO A 32 2.069 -7.444 2.712 1.00 62.34 H new ATOM 532 N ASN A 33 1.599 -8.610 -1.868 1.00 3.12 N ATOM 533 CA ASN A 33 1.115 -8.689 -3.237 1.00 73.05 C ATOM 534 C ASN A 33 0.708 -7.340 -3.803 1.00 10.43 C ATOM 535 O ASN A 33 0.297 -7.240 -4.960 1.00 42.13 O ATOM 536 CB ASN A 33 -0.031 -9.701 -3.327 1.00 42.45 C ATOM 537 CG ASN A 33 -1.069 -9.481 -2.252 1.00 11.31 C ATOM 538 OD1 ASN A 33 -1.299 -8.361 -1.804 1.00 45.32 O ATOM 539 ND2 ASN A 33 -1.670 -10.539 -1.807 1.00 45.11 N ATOM 0 H ASN A 33 0.878 -8.372 -1.186 1.00 3.12 H new ATOM 0 HA ASN A 33 1.944 -9.031 -3.856 1.00 73.05 H new ATOM 0 HB2 ASN A 33 -0.503 -9.627 -4.307 1.00 42.45 H new ATOM 0 HB3 ASN A 33 0.370 -10.711 -3.242 1.00 42.45 H new ATOM 0 HD21 ASN A 33 -2.360 -10.457 -1.060 1.00 45.11 H new ATOM 0 HD22 ASN A 33 -1.453 -11.453 -2.204 1.00 45.11 H new ATOM 546 N CYS A 34 0.818 -6.312 -3.017 1.00 3.53 N ATOM 547 CA CYS A 34 0.521 -4.986 -3.493 1.00 43.44 C ATOM 548 C CYS A 34 1.773 -4.157 -3.520 1.00 61.14 C ATOM 549 O CYS A 34 2.766 -4.499 -2.878 1.00 23.01 O ATOM 550 CB CYS A 34 -0.558 -4.286 -2.668 1.00 10.11 C ATOM 551 SG CYS A 34 -2.210 -5.021 -2.746 1.00 5.12 S ATOM 0 H CYS A 34 1.111 -6.361 -2.041 1.00 3.53 H new ATOM 0 HA CYS A 34 0.125 -5.092 -4.503 1.00 43.44 H new ATOM 0 HB2 CYS A 34 -0.238 -4.268 -1.626 1.00 10.11 H new ATOM 0 HB3 CYS A 34 -0.626 -3.250 -2.998 1.00 10.11 H new ATOM 556 N ALA A 35 1.733 -3.090 -4.254 1.00 42.35 N ATOM 557 CA ALA A 35 2.862 -2.200 -4.386 1.00 64.43 C ATOM 558 C ALA A 35 3.003 -1.311 -3.160 1.00 22.12 C ATOM 559 O ALA A 35 2.238 -1.441 -2.179 1.00 25.22 O ATOM 560 CB ALA A 35 2.677 -1.348 -5.621 1.00 10.22 C ATOM 0 H ALA A 35 0.912 -2.802 -4.787 1.00 42.35 H new ATOM 0 HA ALA A 35 3.771 -2.795 -4.476 1.00 64.43 H new ATOM 0 HB1 ALA A 35 3.526 -0.673 -5.728 1.00 10.22 H new ATOM 0 HB2 ALA A 35 2.611 -1.990 -6.499 1.00 10.22 H new ATOM 0 HB3 ALA A 35 1.760 -0.766 -5.528 1.00 10.22 H new ATOM 566 N LEU A 36 3.979 -0.414 -3.205 1.00 42.34 N ATOM 567 CA LEU A 36 4.175 0.527 -2.136 1.00 71.31 C ATOM 568 C LEU A 36 3.064 1.482 -2.047 1.00 42.14 C ATOM 569 O LEU A 36 2.575 2.010 -3.043 1.00 70.24 O ATOM 570 CB LEU A 36 5.511 1.270 -2.176 1.00 1.12 C ATOM 571 CG LEU A 36 6.746 0.504 -1.708 1.00 52.23 C ATOM 572 CD1 LEU A 36 6.608 0.078 -0.252 1.00 41.32 C ATOM 573 CD2 LEU A 36 7.023 -0.680 -2.584 1.00 3.55 C ATOM 0 H LEU A 36 4.642 -0.327 -3.975 1.00 42.34 H new ATOM 0 HA LEU A 36 4.200 -0.086 -1.235 1.00 71.31 H new ATOM 0 HB2 LEU A 36 5.685 1.599 -3.201 1.00 1.12 H new ATOM 0 HB3 LEU A 36 5.418 2.168 -1.565 1.00 1.12 H new ATOM 0 HG LEU A 36 7.597 1.180 -1.785 1.00 52.23 H new ATOM 0 HD11 LEU A 36 7.502 -0.465 0.054 1.00 41.32 H new ATOM 0 HD12 LEU A 36 6.487 0.961 0.376 1.00 41.32 H new ATOM 0 HD13 LEU A 36 5.736 -0.567 -0.143 1.00 41.32 H new ATOM 0 HD21 LEU A 36 7.909 -1.202 -2.221 1.00 3.55 H new ATOM 0 HD22 LEU A 36 6.169 -1.357 -2.562 1.00 3.55 H new ATOM 0 HD23 LEU A 36 7.193 -0.344 -3.607 1.00 3.55 H new ATOM 585 N GLN A 37 2.689 1.698 -0.870 1.00 5.43 N ATOM 586 CA GLN A 37 1.592 2.540 -0.539 1.00 41.12 C ATOM 587 C GLN A 37 1.995 3.505 0.522 1.00 73.44 C ATOM 588 O GLN A 37 2.122 3.161 1.692 1.00 2.43 O ATOM 589 CB GLN A 37 0.396 1.698 -0.151 1.00 24.15 C ATOM 590 CG GLN A 37 -0.248 1.064 -1.367 1.00 75.21 C ATOM 591 CD GLN A 37 -1.058 -0.130 -1.040 1.00 44.05 C ATOM 592 OE1 GLN A 37 -2.253 -0.056 -0.744 1.00 32.03 O ATOM 593 NE2 GLN A 37 -0.426 -1.252 -1.125 1.00 45.43 N ATOM 0 H GLN A 37 3.145 1.284 -0.057 1.00 5.43 H new ATOM 0 HA GLN A 37 1.295 3.130 -1.406 1.00 41.12 H new ATOM 0 HB2 GLN A 37 0.707 0.920 0.546 1.00 24.15 H new ATOM 0 HB3 GLN A 37 -0.335 2.318 0.369 1.00 24.15 H new ATOM 0 HG2 GLN A 37 -0.881 1.801 -1.861 1.00 75.21 H new ATOM 0 HG3 GLN A 37 0.529 0.784 -2.078 1.00 75.21 H new ATOM 0 HE21 GLN A 37 0.563 -1.263 -1.373 1.00 45.43 H new ATOM 0 HE22 GLN A 37 -0.916 -2.128 -0.944 1.00 45.43 H new ATOM 602 N ILE A 38 2.253 4.697 0.109 1.00 63.44 N ATOM 603 CA ILE A 38 2.738 5.692 1.001 1.00 15.04 C ATOM 604 C ILE A 38 1.579 6.518 1.463 1.00 14.20 C ATOM 605 O ILE A 38 0.725 6.860 0.683 1.00 63.32 O ATOM 606 CB ILE A 38 3.809 6.572 0.311 1.00 3.21 C ATOM 607 CG1 ILE A 38 4.823 5.640 -0.357 1.00 61.54 C ATOM 608 CG2 ILE A 38 4.504 7.468 1.338 1.00 3.14 C ATOM 609 CD1 ILE A 38 6.033 6.308 -0.945 1.00 53.01 C ATOM 0 H ILE A 38 2.134 5.009 -0.855 1.00 63.44 H new ATOM 0 HA ILE A 38 3.215 5.220 1.860 1.00 15.04 H new ATOM 0 HB ILE A 38 3.344 7.219 -0.433 1.00 3.21 H new ATOM 0 HG12 ILE A 38 5.156 4.908 0.379 1.00 61.54 H new ATOM 0 HG13 ILE A 38 4.315 5.088 -1.148 1.00 61.54 H new ATOM 0 HG21 ILE A 38 5.254 8.081 0.838 1.00 3.14 H new ATOM 0 HG22 ILE A 38 3.767 8.114 1.815 1.00 3.14 H new ATOM 0 HG23 ILE A 38 4.987 6.848 2.094 1.00 3.14 H new ATOM 0 HD11 ILE A 38 6.683 5.556 -1.391 1.00 53.01 H new ATOM 0 HD12 ILE A 38 5.721 7.018 -1.711 1.00 53.01 H new ATOM 0 HD13 ILE A 38 6.575 6.836 -0.160 1.00 53.01 H new ATOM 621 N VAL A 39 1.535 6.793 2.713 1.00 14.01 N ATOM 622 CA VAL A 39 0.425 7.517 3.299 1.00 64.30 C ATOM 623 C VAL A 39 0.919 8.840 3.827 1.00 44.00 C ATOM 624 O VAL A 39 1.924 8.889 4.552 1.00 51.31 O ATOM 625 CB VAL A 39 -0.237 6.700 4.452 1.00 74.01 C ATOM 626 CG1 VAL A 39 -1.419 7.436 5.061 1.00 62.12 C ATOM 627 CG2 VAL A 39 -0.651 5.313 3.980 1.00 62.41 C ATOM 0 H VAL A 39 2.262 6.529 3.378 1.00 14.01 H new ATOM 0 HA VAL A 39 -0.328 7.681 2.529 1.00 64.30 H new ATOM 0 HB VAL A 39 0.516 6.584 5.232 1.00 74.01 H new ATOM 0 HG11 VAL A 39 -1.851 6.833 5.860 1.00 62.12 H new ATOM 0 HG12 VAL A 39 -1.083 8.390 5.468 1.00 62.12 H new ATOM 0 HG13 VAL A 39 -2.172 7.614 4.293 1.00 62.12 H new ATOM 0 HG21 VAL A 39 -1.109 4.769 4.806 1.00 62.41 H new ATOM 0 HG22 VAL A 39 -1.368 5.405 3.165 1.00 62.41 H new ATOM 0 HG23 VAL A 39 0.227 4.770 3.631 1.00 62.41 H new ATOM 637 N ALA A 40 0.241 9.905 3.478 1.00 15.24 N ATOM 638 CA ALA A 40 0.670 11.194 3.903 1.00 22.21 C ATOM 639 C ALA A 40 -0.448 11.985 4.470 1.00 31.44 C ATOM 640 O ALA A 40 -1.596 11.817 4.095 1.00 51.44 O ATOM 641 CB ALA A 40 1.282 11.937 2.774 1.00 35.32 C ATOM 0 H ALA A 40 -0.603 9.896 2.905 1.00 15.24 H new ATOM 0 HA ALA A 40 1.414 11.045 4.686 1.00 22.21 H new ATOM 0 HB1 ALA A 40 1.604 12.920 3.117 1.00 35.32 H new ATOM 0 HB2 ALA A 40 2.143 11.384 2.398 1.00 35.32 H new ATOM 0 HB3 ALA A 40 0.549 12.054 1.975 1.00 35.32 H new ATOM 647 N ARG A 41 -0.121 12.841 5.384 1.00 23.44 N ATOM 648 CA ARG A 41 -1.100 13.689 5.953 1.00 21.43 C ATOM 649 C ARG A 41 -0.910 15.060 5.431 1.00 11.23 C ATOM 650 O ARG A 41 0.198 15.561 5.400 1.00 43.43 O ATOM 651 CB ARG A 41 -1.050 13.663 7.447 1.00 41.44 C ATOM 652 CG ARG A 41 -2.252 14.293 8.092 1.00 13.32 C ATOM 653 CD ARG A 41 -2.207 14.033 9.543 1.00 0.31 C ATOM 654 NE ARG A 41 -3.374 14.550 10.255 1.00 54.34 N ATOM 655 CZ ARG A 41 -3.443 14.699 11.587 1.00 62.03 C ATOM 656 NH1 ARG A 41 -2.380 14.431 12.346 1.00 55.40 N ATOM 657 NH2 ARG A 41 -4.570 15.122 12.151 1.00 23.51 N ATOM 0 H ARG A 41 0.823 12.966 5.749 1.00 23.44 H new ATOM 0 HA ARG A 41 -2.089 13.330 5.670 1.00 21.43 H new ATOM 0 HB2 ARG A 41 -0.966 12.630 7.783 1.00 41.44 H new ATOM 0 HB3 ARG A 41 -0.152 14.182 7.783 1.00 41.44 H new ATOM 0 HG2 ARG A 41 -2.263 15.366 7.902 1.00 13.32 H new ATOM 0 HG3 ARG A 41 -3.167 13.884 7.664 1.00 13.32 H new ATOM 0 HD2 ARG A 41 -2.133 12.959 9.711 1.00 0.31 H new ATOM 0 HD3 ARG A 41 -1.306 14.484 9.959 1.00 0.31 H new ATOM 0 HE ARG A 41 -4.190 14.815 9.703 1.00 54.34 H new ATOM 0 HH11 ARG A 41 -1.513 14.112 11.914 1.00 55.40 H new ATOM 0 HH12 ARG A 41 -2.434 14.545 13.358 1.00 55.40 H new ATOM 0 HH21 ARG A 41 -5.382 15.333 11.571 1.00 23.51 H new ATOM 0 HH22 ARG A 41 -4.622 15.235 13.163 1.00 23.51 H new ATOM 671 N LEU A 42 -1.966 15.649 5.017 1.00 63.31 N ATOM 672 CA LEU A 42 -1.914 16.947 4.406 1.00 32.51 C ATOM 673 C LEU A 42 -1.880 18.034 5.450 1.00 30.32 C ATOM 674 O LEU A 42 -2.569 17.953 6.453 1.00 73.03 O ATOM 675 CB LEU A 42 -3.085 17.134 3.430 1.00 12.14 C ATOM 676 CG LEU A 42 -3.135 16.135 2.272 1.00 13.23 C ATOM 677 CD1 LEU A 42 -4.260 16.468 1.335 1.00 41.42 C ATOM 678 CD2 LEU A 42 -1.817 16.097 1.531 1.00 14.32 C ATOM 0 H LEU A 42 -2.903 15.253 5.087 1.00 63.31 H new ATOM 0 HA LEU A 42 -0.990 17.020 3.832 1.00 32.51 H new ATOM 0 HB2 LEU A 42 -4.018 17.064 3.989 1.00 12.14 H new ATOM 0 HB3 LEU A 42 -3.036 18.142 3.017 1.00 12.14 H new ATOM 0 HG LEU A 42 -3.316 15.144 2.689 1.00 13.23 H new ATOM 0 HD11 LEU A 42 -4.279 15.746 0.518 1.00 41.42 H new ATOM 0 HD12 LEU A 42 -5.206 16.430 1.875 1.00 41.42 H new ATOM 0 HD13 LEU A 42 -4.113 17.470 0.931 1.00 41.42 H new ATOM 0 HD21 LEU A 42 -1.880 15.379 0.713 1.00 14.32 H new ATOM 0 HD22 LEU A 42 -1.597 17.086 1.129 1.00 14.32 H new ATOM 0 HD23 LEU A 42 -1.023 15.798 2.216 1.00 14.32 H new ATOM 690 N LYS A 43 -1.047 19.014 5.236 1.00 54.30 N ATOM 691 CA LYS A 43 -0.931 20.136 6.135 1.00 62.24 C ATOM 692 C LYS A 43 -2.090 21.094 5.986 1.00 63.15 C ATOM 693 O LYS A 43 -2.630 21.579 6.977 1.00 53.05 O ATOM 694 CB LYS A 43 0.340 20.885 5.815 1.00 1.12 C ATOM 695 CG LYS A 43 1.592 20.055 5.934 1.00 51.42 C ATOM 696 CD LYS A 43 2.813 20.827 5.502 1.00 64.23 C ATOM 697 CE LYS A 43 2.991 22.077 6.323 1.00 4.34 C ATOM 698 NZ LYS A 43 4.137 22.862 5.872 1.00 25.52 N ATOM 0 H LYS A 43 -0.424 19.060 4.429 1.00 54.30 H new ATOM 0 HA LYS A 43 -0.925 19.751 7.155 1.00 62.24 H new ATOM 0 HB2 LYS A 43 0.272 21.277 4.800 1.00 1.12 H new ATOM 0 HB3 LYS A 43 0.421 21.743 6.483 1.00 1.12 H new ATOM 0 HG2 LYS A 43 1.715 19.727 6.966 1.00 51.42 H new ATOM 0 HG3 LYS A 43 1.494 19.157 5.324 1.00 51.42 H new ATOM 0 HD2 LYS A 43 3.697 20.197 5.599 1.00 64.23 H new ATOM 0 HD3 LYS A 43 2.724 21.091 4.448 1.00 64.23 H new ATOM 0 HE2 LYS A 43 2.088 22.684 6.262 1.00 4.34 H new ATOM 0 HE3 LYS A 43 3.124 21.808 7.371 1.00 4.34 H new ATOM 0 HZ1 LYS A 43 4.227 23.714 6.461 1.00 25.52 H new ATOM 0 HZ2 LYS A 43 5.003 22.291 5.954 1.00 25.52 H new ATOM 0 HZ3 LYS A 43 3.998 23.140 4.880 1.00 25.52 H new ATOM 712 N ASN A 44 -2.482 21.348 4.763 1.00 54.54 N ATOM 713 CA ASN A 44 -3.562 22.290 4.505 1.00 2.42 C ATOM 714 C ASN A 44 -4.926 21.659 4.659 1.00 64.24 C ATOM 715 O ASN A 44 -5.840 22.268 5.216 1.00 31.24 O ATOM 716 CB ASN A 44 -3.416 22.983 3.137 1.00 20.04 C ATOM 717 CG ASN A 44 -2.195 23.900 3.067 1.00 60.15 C ATOM 718 OD1 ASN A 44 -2.277 25.087 3.395 1.00 62.22 O ATOM 719 ND2 ASN A 44 -1.069 23.369 2.642 1.00 60.22 N ATOM 0 H ASN A 44 -2.077 20.923 3.929 1.00 54.54 H new ATOM 0 HA ASN A 44 -3.479 23.062 5.270 1.00 2.42 H new ATOM 0 HB2 ASN A 44 -3.341 22.225 2.357 1.00 20.04 H new ATOM 0 HB3 ASN A 44 -4.314 23.565 2.931 1.00 20.04 H new ATOM 0 HD21 ASN A 44 -0.228 23.942 2.575 1.00 60.22 H new ATOM 0 HD22 ASN A 44 -1.037 22.384 2.379 1.00 60.22 H new ATOM 726 N ASN A 45 -5.055 20.434 4.184 1.00 25.35 N ATOM 727 CA ASN A 45 -6.345 19.723 4.205 1.00 33.10 C ATOM 728 C ASN A 45 -6.498 18.923 5.478 1.00 33.33 C ATOM 729 O ASN A 45 -7.589 18.468 5.813 1.00 62.22 O ATOM 730 CB ASN A 45 -6.464 18.760 3.018 1.00 35.14 C ATOM 731 CG ASN A 45 -6.347 19.404 1.647 1.00 43.34 C ATOM 732 OD1 ASN A 45 -5.662 20.407 1.455 1.00 4.23 O ATOM 733 ND2 ASN A 45 -6.990 18.812 0.692 1.00 65.23 N ATOM 0 H ASN A 45 -4.288 19.900 3.776 1.00 25.35 H new ATOM 0 HA ASN A 45 -7.127 20.480 4.145 1.00 33.10 H new ATOM 0 HB2 ASN A 45 -5.691 17.998 3.111 1.00 35.14 H new ATOM 0 HB3 ASN A 45 -7.425 18.249 3.081 1.00 35.14 H new ATOM 0 HD21 ASN A 45 -6.939 19.176 -0.260 1.00 65.23 H new ATOM 0 HD22 ASN A 45 -7.548 17.982 0.891 1.00 65.23 H new ATOM 740 N ASN A 46 -5.375 18.700 6.139 1.00 72.25 N ATOM 741 CA ASN A 46 -5.270 17.961 7.416 1.00 44.41 C ATOM 742 C ASN A 46 -5.604 16.448 7.271 1.00 70.01 C ATOM 743 O ASN A 46 -5.461 15.680 8.219 1.00 63.35 O ATOM 744 CB ASN A 46 -6.113 18.626 8.537 1.00 73.34 C ATOM 745 CG ASN A 46 -5.808 18.067 9.923 1.00 52.22 C ATOM 746 OD1 ASN A 46 -4.676 17.647 10.204 1.00 54.11 O ATOM 747 ND2 ASN A 46 -6.792 18.050 10.791 1.00 22.12 N ATOM 0 H ASN A 46 -4.472 19.034 5.802 1.00 72.25 H new ATOM 0 HA ASN A 46 -4.223 18.017 7.712 1.00 44.41 H new ATOM 0 HB2 ASN A 46 -5.927 19.700 8.535 1.00 73.34 H new ATOM 0 HB3 ASN A 46 -7.172 18.486 8.320 1.00 73.34 H new ATOM 0 HD21 ASN A 46 -6.637 17.683 11.730 1.00 22.12 H new ATOM 0 HD22 ASN A 46 -7.711 18.404 10.527 1.00 22.12 H new ATOM 754 N ARG A 47 -5.985 16.008 6.078 1.00 21.52 N ATOM 755 CA ARG A 47 -6.403 14.619 5.905 1.00 54.31 C ATOM 756 C ARG A 47 -5.212 13.721 5.632 1.00 34.14 C ATOM 757 O ARG A 47 -4.257 14.147 4.989 1.00 43.14 O ATOM 758 CB ARG A 47 -7.449 14.499 4.801 1.00 42.22 C ATOM 759 CG ARG A 47 -6.961 14.855 3.431 1.00 42.42 C ATOM 760 CD ARG A 47 -8.082 14.741 2.413 1.00 43.45 C ATOM 761 NE ARG A 47 -7.629 15.016 1.049 1.00 40.11 N ATOM 762 CZ ARG A 47 -8.261 15.794 0.168 1.00 52.35 C ATOM 763 NH1 ARG A 47 -9.368 16.445 0.509 1.00 54.12 N ATOM 764 NH2 ARG A 47 -7.772 15.918 -1.045 1.00 12.14 N ATOM 0 H ARG A 47 -6.014 16.577 5.232 1.00 21.52 H new ATOM 0 HA ARG A 47 -6.861 14.287 6.837 1.00 54.31 H new ATOM 0 HB2 ARG A 47 -7.822 13.475 4.784 1.00 42.22 H new ATOM 0 HB3 ARG A 47 -8.294 15.142 5.049 1.00 42.22 H new ATOM 0 HG2 ARG A 47 -6.567 15.871 3.433 1.00 42.42 H new ATOM 0 HG3 ARG A 47 -6.140 14.196 3.150 1.00 42.42 H new ATOM 0 HD2 ARG A 47 -8.507 13.738 2.456 1.00 43.45 H new ATOM 0 HD3 ARG A 47 -8.879 15.437 2.675 1.00 43.45 H new ATOM 0 HE ARG A 47 -6.759 14.577 0.747 1.00 40.11 H new ATOM 0 HH11 ARG A 47 -9.743 16.353 1.453 1.00 54.12 H new ATOM 0 HH12 ARG A 47 -9.842 17.037 -0.173 1.00 54.12 H new ATOM 0 HH21 ARG A 47 -6.919 15.423 -1.304 1.00 12.14 H new ATOM 0 HH22 ARG A 47 -8.246 16.510 -1.728 1.00 12.14 H new ATOM 778 N GLN A 48 -5.239 12.509 6.148 1.00 5.35 N ATOM 779 CA GLN A 48 -4.183 11.589 5.929 1.00 24.44 C ATOM 780 C GLN A 48 -4.632 10.562 4.916 1.00 53.11 C ATOM 781 O GLN A 48 -5.529 9.761 5.175 1.00 44.13 O ATOM 782 CB GLN A 48 -3.754 10.938 7.224 1.00 64.10 C ATOM 783 CG GLN A 48 -2.486 10.181 7.058 1.00 13.22 C ATOM 784 CD GLN A 48 -2.004 9.445 8.285 1.00 53.11 C ATOM 785 OE1 GLN A 48 -1.348 8.423 8.175 1.00 24.24 O ATOM 786 NE2 GLN A 48 -2.330 9.920 9.442 1.00 61.04 N ATOM 0 H GLN A 48 -5.999 12.151 6.727 1.00 5.35 H new ATOM 0 HA GLN A 48 -3.314 12.118 5.538 1.00 24.44 H new ATOM 0 HB2 GLN A 48 -3.626 11.701 7.991 1.00 64.10 H new ATOM 0 HB3 GLN A 48 -4.538 10.265 7.572 1.00 64.10 H new ATOM 0 HG2 GLN A 48 -2.616 9.460 6.251 1.00 13.22 H new ATOM 0 HG3 GLN A 48 -1.707 10.875 6.743 1.00 13.22 H new ATOM 0 HE21 GLN A 48 -2.880 10.777 9.505 1.00 61.04 H new ATOM 0 HE22 GLN A 48 -2.038 9.438 10.292 1.00 61.04 H new ATOM 795 N VAL A 49 -4.016 10.596 3.771 1.00 11.45 N ATOM 796 CA VAL A 49 -4.431 9.795 2.641 1.00 45.44 C ATOM 797 C VAL A 49 -3.212 9.169 1.963 1.00 21.21 C ATOM 798 O VAL A 49 -2.090 9.639 2.126 1.00 74.24 O ATOM 799 CB VAL A 49 -5.161 10.691 1.602 1.00 45.55 C ATOM 800 CG1 VAL A 49 -5.732 9.875 0.454 1.00 35.20 C ATOM 801 CG2 VAL A 49 -6.243 11.520 2.250 1.00 41.31 C ATOM 0 H VAL A 49 -3.203 11.184 3.586 1.00 11.45 H new ATOM 0 HA VAL A 49 -5.099 9.012 3.000 1.00 45.44 H new ATOM 0 HB VAL A 49 -4.413 11.369 1.191 1.00 45.55 H new ATOM 0 HG11 VAL A 49 -6.234 10.539 -0.250 1.00 35.20 H new ATOM 0 HG12 VAL A 49 -4.925 9.349 -0.056 1.00 35.20 H new ATOM 0 HG13 VAL A 49 -6.448 9.151 0.843 1.00 35.20 H new ATOM 0 HG21 VAL A 49 -6.732 12.134 1.494 1.00 41.31 H new ATOM 0 HG22 VAL A 49 -6.977 10.861 2.714 1.00 41.31 H new ATOM 0 HG23 VAL A 49 -5.802 12.164 3.011 1.00 41.31 H new ATOM 811 N CYS A 50 -3.446 8.127 1.219 1.00 54.53 N ATOM 812 CA CYS A 50 -2.427 7.450 0.486 1.00 73.31 C ATOM 813 C CYS A 50 -2.003 8.233 -0.754 1.00 51.21 C ATOM 814 O CYS A 50 -2.828 8.840 -1.463 1.00 22.43 O ATOM 815 CB CYS A 50 -2.907 6.072 0.103 1.00 45.54 C ATOM 816 SG CYS A 50 -3.314 5.028 1.539 1.00 42.41 S ATOM 0 H CYS A 50 -4.374 7.718 1.105 1.00 54.53 H new ATOM 0 HA CYS A 50 -1.550 7.364 1.127 1.00 73.31 H new ATOM 0 HB2 CYS A 50 -3.788 6.165 -0.532 1.00 45.54 H new ATOM 0 HB3 CYS A 50 -2.137 5.578 -0.490 1.00 45.54 H new ATOM 821 N ILE A 51 -0.733 8.219 -0.989 1.00 73.40 N ATOM 822 CA ILE A 51 -0.113 8.856 -2.095 1.00 60.32 C ATOM 823 C ILE A 51 0.152 7.822 -3.183 1.00 62.54 C ATOM 824 O ILE A 51 0.398 6.654 -2.884 1.00 64.21 O ATOM 825 CB ILE A 51 1.254 9.467 -1.671 1.00 54.11 C ATOM 826 CG1 ILE A 51 1.106 10.541 -0.610 1.00 21.11 C ATOM 827 CG2 ILE A 51 1.983 10.026 -2.844 1.00 14.35 C ATOM 828 CD1 ILE A 51 2.424 11.182 -0.242 1.00 3.53 C ATOM 0 H ILE A 51 -0.069 7.738 -0.382 1.00 73.40 H new ATOM 0 HA ILE A 51 -0.773 9.644 -2.458 1.00 60.32 H new ATOM 0 HB ILE A 51 1.832 8.647 -1.243 1.00 54.11 H new ATOM 0 HG12 ILE A 51 0.421 11.309 -0.969 1.00 21.11 H new ATOM 0 HG13 ILE A 51 0.657 10.105 0.282 1.00 21.11 H new ATOM 0 HG21 ILE A 51 2.934 10.445 -2.515 1.00 14.35 H new ATOM 0 HG22 ILE A 51 2.167 9.233 -3.569 1.00 14.35 H new ATOM 0 HG23 ILE A 51 1.382 10.809 -3.307 1.00 14.35 H new ATOM 0 HD11 ILE A 51 2.258 11.943 0.521 1.00 3.53 H new ATOM 0 HD12 ILE A 51 3.103 10.422 0.145 1.00 3.53 H new ATOM 0 HD13 ILE A 51 2.863 11.644 -1.126 1.00 3.53 H new ATOM 840 N ASP A 52 0.093 8.254 -4.428 1.00 53.30 N ATOM 841 CA ASP A 52 0.413 7.405 -5.547 1.00 54.43 C ATOM 842 C ASP A 52 1.928 7.262 -5.685 1.00 63.22 C ATOM 843 O ASP A 52 2.637 8.262 -5.843 1.00 41.51 O ATOM 844 CB ASP A 52 -0.183 7.960 -6.831 1.00 11.55 C ATOM 845 CG ASP A 52 0.335 7.259 -8.058 1.00 33.23 C ATOM 846 OD1 ASP A 52 -0.056 6.118 -8.314 1.00 64.23 O ATOM 847 OD2 ASP A 52 1.117 7.864 -8.803 1.00 41.31 O ATOM 0 H ASP A 52 -0.178 9.203 -4.686 1.00 53.30 H new ATOM 0 HA ASP A 52 -0.019 6.421 -5.366 1.00 54.43 H new ATOM 0 HB2 ASP A 52 -1.268 7.866 -6.794 1.00 11.55 H new ATOM 0 HB3 ASP A 52 0.043 9.024 -6.902 1.00 11.55 H new ATOM 852 N PRO A 53 2.448 6.022 -5.615 1.00 53.24 N ATOM 853 CA PRO A 53 3.891 5.738 -5.692 1.00 13.34 C ATOM 854 C PRO A 53 4.552 6.152 -7.014 1.00 25.35 C ATOM 855 O PRO A 53 5.781 6.188 -7.108 1.00 74.24 O ATOM 856 CB PRO A 53 3.965 4.210 -5.532 1.00 41.24 C ATOM 857 CG PRO A 53 2.611 3.737 -5.914 1.00 63.21 C ATOM 858 CD PRO A 53 1.677 4.783 -5.413 1.00 12.35 C ATOM 0 HA PRO A 53 4.429 6.308 -4.935 1.00 13.34 H new ATOM 0 HB2 PRO A 53 4.733 3.779 -6.174 1.00 41.24 H new ATOM 0 HB3 PRO A 53 4.211 3.928 -4.508 1.00 41.24 H new ATOM 0 HG2 PRO A 53 2.526 3.617 -6.994 1.00 63.21 H new ATOM 0 HG3 PRO A 53 2.392 2.767 -5.468 1.00 63.21 H new ATOM 0 HD2 PRO A 53 0.741 4.792 -5.971 1.00 12.35 H new ATOM 0 HD3 PRO A 53 1.422 4.630 -4.364 1.00 12.35 H new ATOM 866 N LYS A 54 3.760 6.460 -8.023 1.00 61.45 N ATOM 867 CA LYS A 54 4.308 6.819 -9.319 1.00 3.55 C ATOM 868 C LYS A 54 4.649 8.307 -9.422 1.00 73.54 C ATOM 869 O LYS A 54 5.261 8.741 -10.410 1.00 53.13 O ATOM 870 CB LYS A 54 3.399 6.348 -10.467 1.00 30.14 C ATOM 871 CG LYS A 54 3.252 4.829 -10.518 1.00 13.20 C ATOM 872 CD LYS A 54 2.382 4.346 -11.682 1.00 15.42 C ATOM 873 CE LYS A 54 0.944 4.842 -11.575 1.00 72.04 C ATOM 874 NZ LYS A 54 0.078 4.306 -12.659 1.00 3.51 N ATOM 0 H LYS A 54 2.741 6.469 -7.973 1.00 61.45 H new ATOM 0 HA LYS A 54 5.254 6.287 -9.419 1.00 3.55 H new ATOM 0 HB2 LYS A 54 2.414 6.800 -10.354 1.00 30.14 H new ATOM 0 HB3 LYS A 54 3.805 6.702 -11.415 1.00 30.14 H new ATOM 0 HG2 LYS A 54 4.241 4.377 -10.600 1.00 13.20 H new ATOM 0 HG3 LYS A 54 2.819 4.481 -9.580 1.00 13.20 H new ATOM 0 HD2 LYS A 54 2.813 4.690 -12.622 1.00 15.42 H new ATOM 0 HD3 LYS A 54 2.387 3.256 -11.709 1.00 15.42 H new ATOM 0 HE2 LYS A 54 0.533 4.551 -10.608 1.00 72.04 H new ATOM 0 HE3 LYS A 54 0.934 5.931 -11.611 1.00 72.04 H new ATOM 0 HZ1 LYS A 54 -0.889 4.671 -12.543 1.00 3.51 H new ATOM 0 HZ2 LYS A 54 0.453 4.604 -13.582 1.00 3.51 H new ATOM 0 HZ3 LYS A 54 0.064 3.267 -12.610 1.00 3.51 H new ATOM 888 N LEU A 55 4.269 9.087 -8.399 1.00 23.13 N ATOM 889 CA LEU A 55 4.604 10.514 -8.331 1.00 0.00 C ATOM 890 C LEU A 55 6.091 10.763 -8.471 1.00 72.13 C ATOM 891 O LEU A 55 6.911 10.046 -7.901 1.00 12.20 O ATOM 892 CB LEU A 55 4.084 11.122 -7.042 1.00 73.10 C ATOM 893 CG LEU A 55 2.589 11.390 -6.984 1.00 33.43 C ATOM 894 CD1 LEU A 55 2.219 11.918 -5.631 1.00 63.21 C ATOM 895 CD2 LEU A 55 2.213 12.409 -8.032 1.00 72.33 C ATOM 0 H LEU A 55 3.726 8.749 -7.604 1.00 23.13 H new ATOM 0 HA LEU A 55 4.115 10.998 -9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.345 10.457 -6.219 1.00 73.10 H new ATOM 0 HB3 LEU A 55 4.608 12.062 -6.870 1.00 73.10 H new ATOM 0 HG LEU A 55 2.055 10.458 -7.170 1.00 33.43 H new ATOM 0 HD11 LEU A 55 1.146 12.108 -5.596 1.00 63.21 H new ATOM 0 HD12 LEU A 55 2.483 11.184 -4.869 1.00 63.21 H new ATOM 0 HD13 LEU A 55 2.758 12.846 -5.443 1.00 63.21 H new ATOM 0 HD21 LEU A 55 1.141 12.598 -7.987 1.00 72.33 H new ATOM 0 HD22 LEU A 55 2.753 13.337 -7.847 1.00 72.33 H new ATOM 0 HD23 LEU A 55 2.473 12.028 -9.020 1.00 72.33 H new ATOM 907 N LYS A 56 6.427 11.803 -9.212 1.00 5.43 N ATOM 908 CA LYS A 56 7.805 12.127 -9.522 1.00 44.22 C ATOM 909 C LYS A 56 8.568 12.501 -8.263 1.00 34.12 C ATOM 910 O LYS A 56 9.724 12.110 -8.080 1.00 51.11 O ATOM 911 CB LYS A 56 7.867 13.266 -10.548 1.00 12.01 C ATOM 912 CG LYS A 56 9.272 13.595 -11.029 1.00 14.34 C ATOM 913 CD LYS A 56 9.263 14.745 -12.017 1.00 23.35 C ATOM 914 CE LYS A 56 10.657 15.015 -12.553 1.00 12.11 C ATOM 915 NZ LYS A 56 10.676 16.144 -13.499 1.00 51.13 N ATOM 0 H LYS A 56 5.748 12.448 -9.617 1.00 5.43 H new ATOM 0 HA LYS A 56 8.276 11.244 -9.954 1.00 44.22 H new ATOM 0 HB2 LYS A 56 7.254 12.999 -11.408 1.00 12.01 H new ATOM 0 HB3 LYS A 56 7.427 14.161 -10.108 1.00 12.01 H new ATOM 0 HG2 LYS A 56 9.900 13.851 -10.176 1.00 14.34 H new ATOM 0 HG3 LYS A 56 9.714 12.715 -11.497 1.00 14.34 H new ATOM 0 HD2 LYS A 56 8.591 14.514 -12.843 1.00 23.35 H new ATOM 0 HD3 LYS A 56 8.876 15.642 -11.533 1.00 23.35 H new ATOM 0 HE2 LYS A 56 11.330 15.227 -11.722 1.00 12.11 H new ATOM 0 HE3 LYS A 56 11.034 14.120 -13.049 1.00 12.11 H new ATOM 0 HZ1 LYS A 56 11.647 16.294 -13.841 1.00 51.13 H new ATOM 0 HZ2 LYS A 56 10.054 15.932 -14.305 1.00 51.13 H new ATOM 0 HZ3 LYS A 56 10.341 17.004 -13.020 1.00 51.13 H new ATOM 929 N TRP A 57 7.914 13.229 -7.369 1.00 62.34 N ATOM 930 CA TRP A 57 8.570 13.629 -6.140 1.00 12.21 C ATOM 931 C TRP A 57 8.665 12.433 -5.196 1.00 11.24 C ATOM 932 O TRP A 57 9.552 12.349 -4.360 1.00 33.43 O ATOM 933 CB TRP A 57 7.868 14.820 -5.468 1.00 41.23 C ATOM 934 CG TRP A 57 6.533 14.532 -4.837 1.00 21.23 C ATOM 935 CD1 TRP A 57 5.300 14.595 -5.412 1.00 41.13 C ATOM 936 CD2 TRP A 57 6.316 14.154 -3.481 1.00 24.22 C ATOM 937 NE1 TRP A 57 4.344 14.290 -4.474 1.00 0.33 N ATOM 938 CE2 TRP A 57 4.943 14.018 -3.298 1.00 41.02 C ATOM 939 CE3 TRP A 57 7.161 13.921 -2.407 1.00 33.42 C ATOM 940 CZ2 TRP A 57 4.389 13.663 -2.089 1.00 31.11 C ATOM 941 CZ3 TRP A 57 6.618 13.566 -1.201 1.00 73.41 C ATOM 942 CH2 TRP A 57 5.239 13.438 -1.046 1.00 70.41 C ATOM 0 H TRP A 57 6.950 13.547 -7.470 1.00 62.34 H new ATOM 0 HA TRP A 57 9.576 13.967 -6.387 1.00 12.21 H new ATOM 0 HB2 TRP A 57 8.531 15.220 -4.701 1.00 41.23 H new ATOM 0 HB3 TRP A 57 7.733 15.604 -6.213 1.00 41.23 H new ATOM 0 HD1 TRP A 57 5.104 14.846 -6.444 1.00 41.13 H new ATOM 0 HE1 TRP A 57 3.338 14.272 -4.641 1.00 0.33 H new ATOM 0 HE3 TRP A 57 8.231 14.018 -2.520 1.00 33.42 H new ATOM 0 HZ2 TRP A 57 3.320 13.566 -1.970 1.00 31.11 H new ATOM 0 HZ3 TRP A 57 7.268 13.383 -0.358 1.00 73.41 H new ATOM 0 HH2 TRP A 57 4.837 13.156 -0.084 1.00 70.41 H new ATOM 953 N ILE A 58 7.754 11.500 -5.364 1.00 64.12 N ATOM 954 CA ILE A 58 7.757 10.282 -4.596 1.00 45.34 C ATOM 955 C ILE A 58 8.928 9.414 -5.007 1.00 33.44 C ATOM 956 O ILE A 58 9.528 8.753 -4.187 1.00 40.12 O ATOM 957 CB ILE A 58 6.407 9.533 -4.729 1.00 41.34 C ATOM 958 CG1 ILE A 58 5.322 10.248 -3.939 1.00 55.54 C ATOM 959 CG2 ILE A 58 6.496 8.082 -4.323 1.00 74.21 C ATOM 960 CD1 ILE A 58 5.570 10.252 -2.441 1.00 1.12 C ATOM 0 H ILE A 58 6.991 11.568 -6.038 1.00 64.12 H new ATOM 0 HA ILE A 58 7.875 10.531 -3.542 1.00 45.34 H new ATOM 0 HB ILE A 58 6.145 9.542 -5.787 1.00 41.34 H new ATOM 0 HG12 ILE A 58 5.246 11.277 -4.290 1.00 55.54 H new ATOM 0 HG13 ILE A 58 4.363 9.771 -4.140 1.00 55.54 H new ATOM 0 HG21 ILE A 58 5.520 7.611 -4.438 1.00 74.21 H new ATOM 0 HG22 ILE A 58 7.222 7.571 -4.956 1.00 74.21 H new ATOM 0 HG23 ILE A 58 6.811 8.014 -3.282 1.00 74.21 H new ATOM 0 HD11 ILE A 58 4.758 10.778 -1.939 1.00 1.12 H new ATOM 0 HD12 ILE A 58 5.617 9.226 -2.077 1.00 1.12 H new ATOM 0 HD13 ILE A 58 6.514 10.755 -2.230 1.00 1.12 H new ATOM 972 N GLN A 59 9.267 9.455 -6.279 1.00 23.23 N ATOM 973 CA GLN A 59 10.426 8.740 -6.780 1.00 0.42 C ATOM 974 C GLN A 59 11.694 9.285 -6.116 1.00 1.24 C ATOM 975 O GLN A 59 12.569 8.517 -5.713 1.00 22.31 O ATOM 976 CB GLN A 59 10.518 8.871 -8.289 1.00 51.44 C ATOM 977 CG GLN A 59 9.311 8.314 -9.025 1.00 72.55 C ATOM 978 CD GLN A 59 9.420 8.498 -10.512 1.00 21.40 C ATOM 979 OE1 GLN A 59 10.516 8.512 -11.063 1.00 61.44 O ATOM 980 NE2 GLN A 59 8.301 8.650 -11.173 1.00 43.22 N ATOM 0 H GLN A 59 8.755 9.978 -6.989 1.00 23.23 H new ATOM 0 HA GLN A 59 10.324 7.682 -6.536 1.00 0.42 H new ATOM 0 HB2 GLN A 59 10.636 9.923 -8.547 1.00 51.44 H new ATOM 0 HB3 GLN A 59 11.414 8.356 -8.636 1.00 51.44 H new ATOM 0 HG2 GLN A 59 9.207 7.253 -8.798 1.00 72.55 H new ATOM 0 HG3 GLN A 59 8.408 8.807 -8.665 1.00 72.55 H new ATOM 0 HE21 GLN A 59 7.410 8.632 -10.678 1.00 43.22 H new ATOM 0 HE22 GLN A 59 8.320 8.786 -12.184 1.00 43.22 H new ATOM 989 N GLU A 60 11.764 10.624 -5.998 1.00 65.15 N ATOM 990 CA GLU A 60 12.814 11.326 -5.336 1.00 15.40 C ATOM 991 C GLU A 60 12.830 10.903 -3.850 1.00 70.12 C ATOM 992 O GLU A 60 13.875 10.645 -3.268 1.00 11.43 O ATOM 993 CB GLU A 60 12.458 12.797 -5.506 1.00 31.14 C ATOM 994 CG GLU A 60 13.512 13.804 -5.206 1.00 13.14 C ATOM 995 CD GLU A 60 13.924 13.911 -3.754 1.00 61.13 C ATOM 996 OE1 GLU A 60 13.100 14.356 -2.925 1.00 54.41 O ATOM 997 OE2 GLU A 60 15.069 13.552 -3.412 1.00 73.44 O ATOM 0 H GLU A 60 11.052 11.244 -6.384 1.00 65.15 H new ATOM 0 HA GLU A 60 13.807 11.119 -5.735 1.00 15.40 H new ATOM 0 HB2 GLU A 60 12.135 12.947 -6.536 1.00 31.14 H new ATOM 0 HB3 GLU A 60 11.600 13.010 -4.869 1.00 31.14 H new ATOM 0 HG2 GLU A 60 14.395 13.566 -5.798 1.00 13.14 H new ATOM 0 HG3 GLU A 60 13.160 14.781 -5.537 1.00 13.14 H new ATOM 1004 N TYR A 61 11.657 10.829 -3.267 1.00 74.51 N ATOM 1005 CA TYR A 61 11.490 10.377 -1.901 1.00 41.53 C ATOM 1006 C TYR A 61 11.997 8.931 -1.730 1.00 44.25 C ATOM 1007 O TYR A 61 12.771 8.641 -0.826 1.00 52.34 O ATOM 1008 CB TYR A 61 10.014 10.516 -1.490 1.00 23.45 C ATOM 1009 CG TYR A 61 9.679 9.989 -0.121 1.00 64.53 C ATOM 1010 CD1 TYR A 61 10.204 10.575 1.019 1.00 72.34 C ATOM 1011 CD2 TYR A 61 8.827 8.906 0.028 1.00 50.34 C ATOM 1012 CE1 TYR A 61 9.893 10.098 2.274 1.00 1.32 C ATOM 1013 CE2 TYR A 61 8.506 8.419 1.270 1.00 51.24 C ATOM 1014 CZ TYR A 61 9.048 9.020 2.401 1.00 51.41 C ATOM 1015 OH TYR A 61 8.732 8.545 3.663 1.00 33.01 O ATOM 0 H TYR A 61 10.783 11.082 -3.729 1.00 74.51 H new ATOM 0 HA TYR A 61 12.092 11.002 -1.241 1.00 41.53 H new ATOM 0 HB2 TYR A 61 9.739 11.570 -1.534 1.00 23.45 H new ATOM 0 HB3 TYR A 61 9.398 9.995 -2.223 1.00 23.45 H new ATOM 0 HD1 TYR A 61 10.869 11.421 0.923 1.00 72.34 H new ATOM 0 HD2 TYR A 61 8.408 8.437 -0.850 1.00 50.34 H new ATOM 0 HE1 TYR A 61 10.310 10.568 3.152 1.00 1.32 H new ATOM 0 HE2 TYR A 61 7.838 7.576 1.368 1.00 51.24 H new ATOM 0 HH TYR A 61 7.833 8.155 3.650 1.00 33.01 H new ATOM 1025 N LEU A 62 11.583 8.059 -2.625 1.00 40.53 N ATOM 1026 CA LEU A 62 11.959 6.647 -2.608 1.00 44.40 C ATOM 1027 C LEU A 62 13.427 6.437 -2.751 1.00 40.44 C ATOM 1028 O LEU A 62 14.003 5.652 -2.022 1.00 21.34 O ATOM 1029 CB LEU A 62 11.200 5.874 -3.668 1.00 40.24 C ATOM 1030 CG LEU A 62 9.701 5.802 -3.455 1.00 61.21 C ATOM 1031 CD1 LEU A 62 9.034 5.078 -4.591 1.00 42.23 C ATOM 1032 CD2 LEU A 62 9.403 5.128 -2.135 1.00 71.12 C ATOM 0 H LEU A 62 10.967 8.307 -3.399 1.00 40.53 H new ATOM 0 HA LEU A 62 11.682 6.263 -1.626 1.00 44.40 H new ATOM 0 HB2 LEU A 62 11.393 6.331 -4.638 1.00 40.24 H new ATOM 0 HB3 LEU A 62 11.595 4.859 -3.710 1.00 40.24 H new ATOM 0 HG LEU A 62 9.300 6.815 -3.428 1.00 61.21 H new ATOM 0 HD11 LEU A 62 7.959 5.039 -4.416 1.00 42.23 H new ATOM 0 HD12 LEU A 62 9.231 5.606 -5.524 1.00 42.23 H new ATOM 0 HD13 LEU A 62 9.428 4.064 -4.657 1.00 42.23 H new ATOM 0 HD21 LEU A 62 8.324 5.079 -1.987 1.00 71.12 H new ATOM 0 HD22 LEU A 62 9.815 4.119 -2.141 1.00 71.12 H new ATOM 0 HD23 LEU A 62 9.855 5.700 -1.324 1.00 71.12 H new ATOM 1044 N GLU A 63 14.045 7.142 -3.653 1.00 72.41 N ATOM 1045 CA GLU A 63 15.492 7.001 -3.839 1.00 5.14 C ATOM 1046 C GLU A 63 16.285 7.509 -2.620 1.00 51.35 C ATOM 1047 O GLU A 63 17.473 7.302 -2.531 1.00 41.33 O ATOM 1048 CB GLU A 63 15.995 7.637 -5.145 1.00 54.40 C ATOM 1049 CG GLU A 63 15.727 9.115 -5.272 1.00 61.54 C ATOM 1050 CD GLU A 63 16.276 9.694 -6.547 1.00 33.13 C ATOM 1051 OE1 GLU A 63 15.665 9.497 -7.618 1.00 35.14 O ATOM 1052 OE2 GLU A 63 17.316 10.371 -6.495 1.00 23.00 O ATOM 0 H GLU A 63 13.594 7.816 -4.272 1.00 72.41 H new ATOM 0 HA GLU A 63 15.677 5.930 -3.927 1.00 5.14 H new ATOM 0 HB2 GLU A 63 17.069 7.469 -5.225 1.00 54.40 H new ATOM 0 HB3 GLU A 63 15.529 7.124 -5.986 1.00 54.40 H new ATOM 0 HG2 GLU A 63 14.652 9.291 -5.231 1.00 61.54 H new ATOM 0 HG3 GLU A 63 16.168 9.635 -4.422 1.00 61.54 H new ATOM 1059 N LYS A 64 15.610 8.173 -1.691 1.00 50.31 N ATOM 1060 CA LYS A 64 16.251 8.623 -0.465 1.00 63.02 C ATOM 1061 C LYS A 64 15.752 7.794 0.719 1.00 13.54 C ATOM 1062 O LYS A 64 16.242 7.922 1.842 1.00 52.24 O ATOM 1063 CB LYS A 64 15.982 10.102 -0.227 1.00 75.11 C ATOM 1064 CG LYS A 64 16.391 10.994 -1.384 1.00 43.12 C ATOM 1065 CD LYS A 64 17.868 10.883 -1.710 1.00 13.42 C ATOM 1066 CE LYS A 64 18.210 11.748 -2.903 1.00 12.24 C ATOM 1067 NZ LYS A 64 19.648 11.716 -3.227 1.00 61.35 N ATOM 0 H LYS A 64 14.621 8.411 -1.764 1.00 50.31 H new ATOM 0 HA LYS A 64 17.328 8.486 -0.565 1.00 63.02 H new ATOM 0 HB2 LYS A 64 14.919 10.241 -0.032 1.00 75.11 H new ATOM 0 HB3 LYS A 64 16.515 10.419 0.670 1.00 75.11 H new ATOM 0 HG2 LYS A 64 15.807 10.730 -2.266 1.00 43.12 H new ATOM 0 HG3 LYS A 64 16.153 12.030 -1.142 1.00 43.12 H new ATOM 0 HD2 LYS A 64 18.461 11.189 -0.848 1.00 13.42 H new ATOM 0 HD3 LYS A 64 18.124 9.844 -1.920 1.00 13.42 H new ATOM 0 HE2 LYS A 64 17.638 11.412 -3.768 1.00 12.24 H new ATOM 0 HE3 LYS A 64 17.909 12.776 -2.701 1.00 12.24 H new ATOM 0 HZ1 LYS A 64 19.832 12.324 -4.051 1.00 61.35 H new ATOM 0 HZ2 LYS A 64 20.195 12.062 -2.413 1.00 61.35 H new ATOM 0 HZ3 LYS A 64 19.933 10.740 -3.446 1.00 61.35 H new ATOM 1081 N ALA A 65 14.761 6.971 0.464 1.00 23.20 N ATOM 1082 CA ALA A 65 14.235 6.067 1.467 1.00 73.43 C ATOM 1083 C ALA A 65 14.927 4.736 1.323 1.00 70.13 C ATOM 1084 O ALA A 65 15.251 4.066 2.304 1.00 31.24 O ATOM 1085 CB ALA A 65 12.731 5.892 1.295 1.00 74.22 C ATOM 0 H ALA A 65 14.296 6.907 -0.442 1.00 23.20 H new ATOM 0 HA ALA A 65 14.417 6.479 2.459 1.00 73.43 H new ATOM 0 HB1 ALA A 65 12.355 5.210 2.057 1.00 74.22 H new ATOM 0 HB2 ALA A 65 12.238 6.859 1.398 1.00 74.22 H new ATOM 0 HB3 ALA A 65 12.523 5.482 0.307 1.00 74.22 H new ATOM 1091 N LEU A 66 15.143 4.362 0.085 1.00 3.22 N ATOM 1092 CA LEU A 66 15.820 3.142 -0.254 1.00 60.11 C ATOM 1093 C LEU A 66 17.323 3.361 -0.126 1.00 52.32 C ATOM 1094 O LEU A 66 18.017 2.622 0.585 1.00 64.24 O ATOM 1095 CB LEU A 66 15.447 2.712 -1.681 1.00 14.31 C ATOM 1096 CG LEU A 66 13.947 2.512 -1.964 1.00 3.11 C ATOM 1097 CD1 LEU A 66 13.721 2.031 -3.383 1.00 44.10 C ATOM 1098 CD2 LEU A 66 13.307 1.570 -0.955 1.00 23.13 C ATOM 0 H LEU A 66 14.847 4.908 -0.725 1.00 3.22 H new ATOM 0 HA LEU A 66 15.517 2.346 0.426 1.00 60.11 H new ATOM 0 HB2 LEU A 66 15.829 3.461 -2.375 1.00 14.31 H new ATOM 0 HB3 LEU A 66 15.964 1.779 -1.903 1.00 14.31 H new ATOM 0 HG LEU A 66 13.461 3.482 -1.856 1.00 3.11 H new ATOM 0 HD11 LEU A 66 12.653 1.898 -3.556 1.00 44.10 H new ATOM 0 HD12 LEU A 66 14.113 2.768 -4.084 1.00 44.10 H new ATOM 0 HD13 LEU A 66 14.234 1.081 -3.531 1.00 44.10 H new ATOM 0 HD21 LEU A 66 12.248 1.453 -1.187 1.00 23.13 H new ATOM 0 HD22 LEU A 66 13.798 0.598 -1.002 1.00 23.13 H new ATOM 0 HD23 LEU A 66 13.415 1.983 0.048 1.00 23.13 H new ATOM 1110 N ASN A 67 17.819 4.382 -0.804 1.00 24.25 N ATOM 1111 CA ASN A 67 19.205 4.780 -0.670 1.00 21.33 C ATOM 1112 C ASN A 67 19.297 5.762 0.465 1.00 1.23 C ATOM 1113 O ASN A 67 18.855 6.909 0.362 1.00 32.25 O ATOM 1114 CB ASN A 67 19.754 5.394 -1.982 1.00 43.40 C ATOM 1115 CG ASN A 67 21.220 5.885 -1.913 1.00 40.41 C ATOM 1116 OD1 ASN A 67 21.722 6.321 -0.876 1.00 51.52 O ATOM 1117 ND2 ASN A 67 21.906 5.817 -3.027 1.00 62.13 N ATOM 0 H ASN A 67 17.278 4.951 -1.455 1.00 24.25 H new ATOM 0 HA ASN A 67 19.818 3.903 -0.461 1.00 21.33 H new ATOM 0 HB2 ASN A 67 19.673 4.650 -2.775 1.00 43.40 H new ATOM 0 HB3 ASN A 67 19.119 6.233 -2.266 1.00 43.40 H new ATOM 0 HD21 ASN A 67 22.877 6.129 -3.048 1.00 62.13 H new ATOM 0 HD22 ASN A 67 21.469 5.452 -3.873 1.00 62.13 H new ATOM 1124 N LYS A 68 19.819 5.305 1.539 1.00 14.41 N ATOM 1125 CA LYS A 68 19.983 6.091 2.700 1.00 73.24 C ATOM 1126 C LYS A 68 21.416 6.026 3.181 1.00 51.14 C ATOM 1127 O LYS A 68 22.147 7.018 2.983 1.00 38.11 O ATOM 1128 CB LYS A 68 18.951 5.731 3.767 1.00 32.23 C ATOM 1129 CG LYS A 68 18.922 4.284 4.197 1.00 3.43 C ATOM 1130 CD LYS A 68 17.710 4.019 5.057 1.00 52.31 C ATOM 1131 CE LYS A 68 17.701 4.836 6.346 1.00 72.10 C ATOM 1132 NZ LYS A 68 16.497 4.559 7.159 1.00 24.33 N ATOM 1133 OXT LYS A 68 21.850 4.970 3.674 1.00 38.11 O ATOM 0 H LYS A 68 20.154 4.346 1.638 1.00 14.41 H new ATOM 0 HA LYS A 68 19.789 7.136 2.457 1.00 73.24 H new ATOM 0 HB2 LYS A 68 19.137 6.347 4.647 1.00 32.23 H new ATOM 0 HB3 LYS A 68 17.963 5.998 3.393 1.00 32.23 H new ATOM 0 HG2 LYS A 68 18.903 3.637 3.320 1.00 3.43 H new ATOM 0 HG3 LYS A 68 19.829 4.044 4.751 1.00 3.43 H new ATOM 0 HD2 LYS A 68 16.810 4.244 4.485 1.00 52.31 H new ATOM 0 HD3 LYS A 68 17.673 2.958 5.306 1.00 52.31 H new ATOM 0 HE2 LYS A 68 18.594 4.608 6.928 1.00 72.10 H new ATOM 0 HE3 LYS A 68 17.741 5.898 6.104 1.00 72.10 H new ATOM 0 HZ1 LYS A 68 16.525 5.131 8.027 1.00 24.33 H new ATOM 0 HZ2 LYS A 68 15.646 4.800 6.612 1.00 24.33 H new ATOM 0 HZ3 LYS A 68 16.472 3.550 7.410 1.00 24.33 H new TER 1147 LYS A 68