USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 681 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 80 LYS NZ :NH3+ 154:sc= 0.00104 (180deg=0) USER MOD Set 1.2: A 81 ASN : amide:sc= -1.82 K(o=-1.8,f=-3.2!) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.38 K(o=-2.4,f=-3.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.1) USER MOD Single : A 37 TYR OH : rot -15:sc= -0.847 USER MOD Single : A 38 GLN : amide:sc=-7.48e-05 X(o=-7.5e-05,f=-0.33) USER MOD Single : A 39 HIS : no HD1:sc= -0.232 X(o=-0.23,f=0.043) USER MOD Single : A 42 GLN : amide:sc= -0.0353 K(o=-0.035,f=-1.2) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00997) USER MOD Single : A 65 CYS SG : rot 81:sc= -3.76! USER MOD Single : A 66 THR OG1 : rot -79:sc= 0.948 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= -0.506 (180deg=-0.575) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : B 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 124 LYS NZ :NH3+ 161:sc= 0.0461 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -11.628 -8.261 3.019 1.00 62.20 N ATOM 2 CA ASN A 10 -10.310 -7.657 2.867 1.00 24.00 C ATOM 3 C ASN A 10 -10.021 -7.343 1.402 1.00 75.20 C ATOM 4 O ASN A 10 -9.424 -6.316 1.084 1.00 11.10 O ATOM 5 CB ASN A 10 -9.231 -8.588 3.423 1.00 33.50 C ATOM 6 CG ASN A 10 -9.274 -8.685 4.936 1.00 32.40 C ATOM 7 OD1 ASN A 10 -9.980 -9.524 5.495 1.00 32.30 O ATOM 8 ND2 ASN A 10 -8.515 -7.825 5.605 1.00 55.10 N ATOM 0 HA ASN A 10 -10.299 -6.723 3.430 1.00 24.00 H new ATOM 0 HB2 ASN A 10 -9.357 -9.582 2.994 1.00 33.50 H new ATOM 0 HB3 ASN A 10 -8.250 -8.229 3.112 1.00 33.50 H new ATOM 0 HD21 ASN A 10 -8.501 -7.843 6.625 1.00 55.10 H new ATOM 0 HD22 ASN A 10 -7.946 -7.147 5.099 1.00 55.10 H new ATOM 15 N LEU A 11 -10.451 -8.235 0.516 1.00 72.50 N ATOM 16 CA LEU A 11 -10.232 -8.050 -0.910 1.00 71.00 C ATOM 17 C LEU A 11 -10.903 -6.771 -1.402 1.00 74.10 C ATOM 18 O LEU A 11 -10.371 -6.070 -2.263 1.00 75.10 O ATOM 19 CB LEU A 11 -10.774 -9.253 -1.685 1.00 44.20 C ATOM 20 CG LEU A 11 -9.996 -9.620 -2.952 1.00 23.10 C ATOM 21 CD1 LEU A 11 -10.414 -10.985 -3.462 1.00 13.20 C ATOM 22 CD2 LEU A 11 -10.189 -8.558 -4.021 1.00 12.10 C ATOM 0 H LEU A 11 -10.951 -9.090 0.761 1.00 72.50 H new ATOM 0 HA LEU A 11 -9.159 -7.965 -1.082 1.00 71.00 H new ATOM 0 HB2 LEU A 11 -10.784 -10.118 -1.021 1.00 44.20 H new ATOM 0 HB3 LEU A 11 -11.809 -9.051 -1.960 1.00 44.20 H new ATOM 0 HG LEU A 11 -8.935 -9.665 -2.704 1.00 23.10 H new ATOM 0 HD11 LEU A 11 -9.849 -11.226 -4.363 1.00 13.20 H new ATOM 0 HD12 LEU A 11 -10.215 -11.736 -2.697 1.00 13.20 H new ATOM 0 HD13 LEU A 11 -11.479 -10.976 -3.693 1.00 13.20 H new ATOM 0 HD21 LEU A 11 -9.629 -8.835 -4.914 1.00 12.10 H new ATOM 0 HD22 LEU A 11 -11.248 -8.477 -4.267 1.00 12.10 H new ATOM 0 HD23 LEU A 11 -9.829 -7.599 -3.650 1.00 12.10 H new ATOM 34 N GLN A 12 -12.075 -6.474 -0.851 1.00 20.30 N ATOM 35 CA GLN A 12 -12.823 -5.281 -1.236 1.00 44.20 C ATOM 36 C GLN A 12 -12.139 -4.023 -0.705 1.00 55.20 C ATOM 37 O GLN A 12 -11.992 -3.035 -1.425 1.00 63.10 O ATOM 38 CB GLN A 12 -14.253 -5.355 -0.707 1.00 21.20 C ATOM 39 CG GLN A 12 -15.139 -6.323 -1.485 1.00 75.50 C ATOM 40 CD GLN A 12 -15.796 -5.676 -2.684 1.00 15.30 C ATOM 41 OE1 GLN A 12 -16.051 -4.471 -2.694 1.00 61.20 O ATOM 42 NE2 GLN A 12 -16.078 -6.476 -3.709 1.00 62.40 N ATOM 0 H GLN A 12 -12.528 -7.043 -0.136 1.00 20.30 H new ATOM 0 HA GLN A 12 -12.850 -5.233 -2.325 1.00 44.20 H new ATOM 0 HB2 GLN A 12 -14.230 -5.657 0.340 1.00 21.20 H new ATOM 0 HB3 GLN A 12 -14.697 -4.360 -0.742 1.00 21.20 H new ATOM 0 HG2 GLN A 12 -14.540 -7.171 -1.817 1.00 75.50 H new ATOM 0 HG3 GLN A 12 -15.909 -6.717 -0.822 1.00 75.50 H new ATOM 0 HE21 GLN A 12 -15.850 -7.469 -3.659 1.00 62.40 H new ATOM 0 HE22 GLN A 12 -16.523 -6.096 -4.545 1.00 62.40 H new ATOM 51 N LYS A 13 -11.727 -4.069 0.555 1.00 62.00 N ATOM 52 CA LYS A 13 -11.061 -2.933 1.181 1.00 64.00 C ATOM 53 C LYS A 13 -9.694 -2.689 0.550 1.00 50.30 C ATOM 54 O LYS A 13 -9.231 -1.551 0.470 1.00 32.50 O ATOM 55 CB LYS A 13 -10.905 -3.172 2.686 1.00 10.10 C ATOM 56 CG LYS A 13 -12.092 -2.688 3.503 1.00 53.50 C ATOM 57 CD LYS A 13 -13.064 -3.820 3.795 1.00 64.10 C ATOM 58 CE LYS A 13 -13.823 -3.581 5.092 1.00 70.20 C ATOM 59 NZ LYS A 13 -14.862 -4.621 5.326 1.00 3.44 N ATOM 0 H LYS A 13 -11.842 -4.879 1.164 1.00 62.00 H new ATOM 0 HA LYS A 13 -11.678 -2.049 1.022 1.00 64.00 H new ATOM 0 HB2 LYS A 13 -10.762 -4.238 2.864 1.00 10.10 H new ATOM 0 HB3 LYS A 13 -10.004 -2.667 3.035 1.00 10.10 H new ATOM 0 HG2 LYS A 13 -11.739 -2.259 4.441 1.00 53.50 H new ATOM 0 HG3 LYS A 13 -12.608 -1.894 2.963 1.00 53.50 H new ATOM 0 HD2 LYS A 13 -13.771 -3.916 2.971 1.00 64.10 H new ATOM 0 HD3 LYS A 13 -12.519 -4.762 3.859 1.00 64.10 H new ATOM 0 HE2 LYS A 13 -13.122 -3.574 5.927 1.00 70.20 H new ATOM 0 HE3 LYS A 13 -14.293 -2.598 5.062 1.00 70.20 H new ATOM 0 HZ1 LYS A 13 -15.357 -4.423 6.219 1.00 3.44 H new ATOM 0 HZ2 LYS A 13 -15.545 -4.611 4.542 1.00 3.44 H new ATOM 0 HZ3 LYS A 13 -14.411 -5.556 5.380 1.00 3.44 H new ATOM 73 N ALA A 14 -9.053 -3.764 0.104 1.00 44.30 N ATOM 74 CA ALA A 14 -7.740 -3.666 -0.521 1.00 21.40 C ATOM 75 C ALA A 14 -7.799 -2.827 -1.793 1.00 3.02 C ATOM 76 O ALA A 14 -7.021 -1.888 -1.966 1.00 44.30 O ATOM 77 CB ALA A 14 -7.196 -5.054 -0.825 1.00 52.40 C ATOM 0 H ALA A 14 -9.422 -4.713 0.164 1.00 44.30 H new ATOM 0 HA ALA A 14 -7.067 -3.170 0.178 1.00 21.40 H new ATOM 0 HB1 ALA A 14 -6.215 -4.966 -1.292 1.00 52.40 H new ATOM 0 HB2 ALA A 14 -7.108 -5.621 0.102 1.00 52.40 H new ATOM 0 HB3 ALA A 14 -7.875 -5.571 -1.503 1.00 52.40 H new ATOM 83 N ILE A 15 -8.725 -3.172 -2.681 1.00 40.10 N ATOM 84 CA ILE A 15 -8.885 -2.451 -3.937 1.00 4.14 C ATOM 85 C ILE A 15 -9.535 -1.091 -3.712 1.00 52.20 C ATOM 86 O ILE A 15 -9.252 -0.131 -4.427 1.00 24.30 O ATOM 87 CB ILE A 15 -9.734 -3.253 -4.941 1.00 22.20 C ATOM 88 CG1 ILE A 15 -9.227 -4.692 -5.038 1.00 74.10 C ATOM 89 CG2 ILE A 15 -9.710 -2.582 -6.306 1.00 1.03 C ATOM 90 CD1 ILE A 15 -7.784 -4.796 -5.485 1.00 31.40 C ATOM 0 H ILE A 15 -9.376 -3.947 -2.554 1.00 40.10 H new ATOM 0 HA ILE A 15 -7.886 -2.309 -4.349 1.00 4.14 H new ATOM 0 HB ILE A 15 -10.765 -3.277 -4.587 1.00 22.20 H new ATOM 0 HG12 ILE A 15 -9.333 -5.172 -4.065 1.00 74.10 H new ATOM 0 HG13 ILE A 15 -9.856 -5.244 -5.736 1.00 74.10 H new ATOM 0 HG21 ILE A 15 -10.314 -3.159 -7.006 1.00 1.03 H new ATOM 0 HG22 ILE A 15 -10.115 -1.574 -6.223 1.00 1.03 H new ATOM 0 HG23 ILE A 15 -8.683 -2.532 -6.669 1.00 1.03 H new ATOM 0 HD11 ILE A 15 -7.492 -5.845 -5.531 1.00 31.40 H new ATOM 0 HD12 ILE A 15 -7.675 -4.345 -6.471 1.00 31.40 H new ATOM 0 HD13 ILE A 15 -7.144 -4.273 -4.774 1.00 31.40 H new ATOM 102 N ASP A 16 -10.407 -1.017 -2.713 1.00 65.30 N ATOM 103 CA ASP A 16 -11.099 0.227 -2.391 1.00 21.10 C ATOM 104 C ASP A 16 -10.143 1.233 -1.760 1.00 23.00 C ATOM 105 O ASP A 16 -10.157 2.416 -2.100 1.00 72.40 O ATOM 106 CB ASP A 16 -12.270 -0.045 -1.446 1.00 71.50 C ATOM 107 CG ASP A 16 -13.145 1.177 -1.243 1.00 23.40 C ATOM 108 OD1 ASP A 16 -13.584 1.766 -2.250 1.00 4.54 O ATOM 109 OD2 ASP A 16 -13.389 1.544 -0.074 1.00 62.20 O ATOM 0 H ASP A 16 -10.652 -1.803 -2.112 1.00 65.30 H new ATOM 0 HA ASP A 16 -11.483 0.651 -3.319 1.00 21.10 H new ATOM 0 HB2 ASP A 16 -12.875 -0.859 -1.846 1.00 71.50 H new ATOM 0 HB3 ASP A 16 -11.886 -0.377 -0.482 1.00 71.50 H new ATOM 114 N LEU A 17 -9.312 0.755 -0.840 1.00 30.40 N ATOM 115 CA LEU A 17 -8.349 1.613 -0.160 1.00 33.40 C ATOM 116 C LEU A 17 -7.237 2.043 -1.112 1.00 64.20 C ATOM 117 O LEU A 17 -6.850 3.212 -1.144 1.00 52.30 O ATOM 118 CB LEU A 17 -7.750 0.888 1.047 1.00 53.40 C ATOM 119 CG LEU A 17 -8.698 0.719 2.235 1.00 25.50 C ATOM 120 CD1 LEU A 17 -8.259 -0.447 3.107 1.00 1.15 C ATOM 121 CD2 LEU A 17 -8.762 2.002 3.052 1.00 31.20 C ATOM 0 H LEU A 17 -9.286 -0.222 -0.548 1.00 30.40 H new ATOM 0 HA LEU A 17 -8.874 2.504 0.184 1.00 33.40 H new ATOM 0 HB2 LEU A 17 -7.411 -0.098 0.728 1.00 53.40 H new ATOM 0 HB3 LEU A 17 -6.868 1.436 1.380 1.00 53.40 H new ATOM 0 HG LEU A 17 -9.695 0.504 1.851 1.00 25.50 H new ATOM 0 HD11 LEU A 17 -8.946 -0.552 3.947 1.00 1.15 H new ATOM 0 HD12 LEU A 17 -8.264 -1.364 2.518 1.00 1.15 H new ATOM 0 HD13 LEU A 17 -7.252 -0.262 3.482 1.00 1.15 H new ATOM 0 HD21 LEU A 17 -9.441 1.864 3.893 1.00 31.20 H new ATOM 0 HD22 LEU A 17 -7.767 2.246 3.425 1.00 31.20 H new ATOM 0 HD23 LEU A 17 -9.124 2.816 2.424 1.00 31.20 H new ATOM 133 N ALA A 18 -6.725 1.091 -1.886 1.00 14.40 N ATOM 134 CA ALA A 18 -5.658 1.370 -2.838 1.00 50.30 C ATOM 135 C ALA A 18 -6.097 2.410 -3.864 1.00 44.10 C ATOM 136 O ALA A 18 -5.379 3.373 -4.133 1.00 3.42 O ATOM 137 CB ALA A 18 -5.224 0.090 -3.534 1.00 21.40 C ATOM 0 H ALA A 18 -7.033 0.119 -1.872 1.00 14.40 H new ATOM 0 HA ALA A 18 -4.810 1.776 -2.287 1.00 50.30 H new ATOM 0 HB1 ALA A 18 -4.426 0.314 -4.242 1.00 21.40 H new ATOM 0 HB2 ALA A 18 -4.862 -0.622 -2.793 1.00 21.40 H new ATOM 0 HB3 ALA A 18 -6.072 -0.340 -4.067 1.00 21.40 H new ATOM 143 N SER A 19 -7.281 2.209 -4.434 1.00 2.33 N ATOM 144 CA SER A 19 -7.816 3.129 -5.430 1.00 63.20 C ATOM 145 C SER A 19 -8.033 4.515 -4.831 1.00 15.50 C ATOM 146 O SER A 19 -7.715 5.528 -5.453 1.00 62.30 O ATOM 147 CB SER A 19 -9.133 2.593 -5.996 1.00 13.20 C ATOM 148 OG SER A 19 -9.502 3.288 -7.174 1.00 25.40 O ATOM 0 H SER A 19 -7.888 1.417 -4.223 1.00 2.33 H new ATOM 0 HA SER A 19 -7.089 3.212 -6.238 1.00 63.20 H new ATOM 0 HB2 SER A 19 -9.033 1.530 -6.214 1.00 13.20 H new ATOM 0 HB3 SER A 19 -9.921 2.693 -5.249 1.00 13.20 H new ATOM 0 HG SER A 19 -10.346 2.926 -7.517 1.00 25.40 H new ATOM 154 N LYS A 20 -8.576 4.551 -3.618 1.00 0.33 N ATOM 155 CA LYS A 20 -8.835 5.812 -2.934 1.00 13.30 C ATOM 156 C LYS A 20 -7.534 6.551 -2.642 1.00 62.30 C ATOM 157 O LYS A 20 -7.486 7.781 -2.666 1.00 43.40 O ATOM 158 CB LYS A 20 -9.597 5.562 -1.632 1.00 35.10 C ATOM 159 CG LYS A 20 -10.595 6.657 -1.290 1.00 13.30 C ATOM 160 CD LYS A 20 -11.997 6.295 -1.750 1.00 1.41 C ATOM 161 CE LYS A 20 -13.044 7.188 -1.103 1.00 3.32 C ATOM 162 NZ LYS A 20 -13.453 8.303 -2.002 1.00 14.20 N ATOM 0 H LYS A 20 -8.845 3.721 -3.089 1.00 0.33 H new ATOM 0 HA LYS A 20 -9.444 6.434 -3.590 1.00 13.30 H new ATOM 0 HB2 LYS A 20 -10.125 4.611 -1.707 1.00 35.10 H new ATOM 0 HB3 LYS A 20 -8.882 5.466 -0.815 1.00 35.10 H new ATOM 0 HG2 LYS A 20 -10.596 6.826 -0.213 1.00 13.30 H new ATOM 0 HG3 LYS A 20 -10.287 7.591 -1.759 1.00 13.30 H new ATOM 0 HD2 LYS A 20 -12.060 6.386 -2.834 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -12.204 5.253 -1.505 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -13.919 6.592 -0.842 1.00 3.32 H new ATOM 0 HE3 LYS A 20 -12.648 7.597 -0.173 1.00 3.32 H new ATOM 0 HZ1 LYS A 20 -14.168 8.889 -1.525 1.00 14.20 H new ATOM 0 HZ2 LYS A 20 -12.623 8.887 -2.231 1.00 14.20 H new ATOM 0 HZ3 LYS A 20 -13.854 7.913 -2.879 1.00 14.20 H new ATOM 176 N ALA A 21 -6.477 5.791 -2.366 1.00 72.50 N ATOM 177 CA ALA A 21 -5.174 6.374 -2.070 1.00 60.00 C ATOM 178 C ALA A 21 -4.673 7.219 -3.236 1.00 13.10 C ATOM 179 O ALA A 21 -4.285 8.374 -3.056 1.00 1.32 O ATOM 180 CB ALA A 21 -4.171 5.279 -1.739 1.00 21.40 C ATOM 0 H ALA A 21 -6.499 4.772 -2.342 1.00 72.50 H new ATOM 0 HA ALA A 21 -5.283 7.027 -1.204 1.00 60.00 H new ATOM 0 HB1 ALA A 21 -3.202 5.727 -1.520 1.00 21.40 H new ATOM 0 HB2 ALA A 21 -4.517 4.719 -0.870 1.00 21.40 H new ATOM 0 HB3 ALA A 21 -4.075 4.605 -2.590 1.00 21.40 H new ATOM 186 N ALA A 22 -4.682 6.636 -4.430 1.00 22.40 N ATOM 187 CA ALA A 22 -4.228 7.335 -5.625 1.00 23.20 C ATOM 188 C ALA A 22 -5.088 8.565 -5.902 1.00 14.30 C ATOM 189 O ALA A 22 -4.609 9.560 -6.444 1.00 65.00 O ATOM 190 CB ALA A 22 -4.243 6.398 -6.823 1.00 10.10 C ATOM 0 H ALA A 22 -4.999 5.681 -4.595 1.00 22.40 H new ATOM 0 HA ALA A 22 -3.205 7.670 -5.453 1.00 23.20 H new ATOM 0 HB1 ALA A 22 -3.901 6.934 -7.708 1.00 10.10 H new ATOM 0 HB2 ALA A 22 -3.581 5.553 -6.632 1.00 10.10 H new ATOM 0 HB3 ALA A 22 -5.257 6.034 -6.988 1.00 10.10 H new ATOM 196 N GLN A 23 -6.361 8.487 -5.526 1.00 51.40 N ATOM 197 CA GLN A 23 -7.287 9.593 -5.734 1.00 45.10 C ATOM 198 C GLN A 23 -6.890 10.802 -4.893 1.00 63.10 C ATOM 199 O GLN A 23 -6.791 11.919 -5.402 1.00 34.20 O ATOM 200 CB GLN A 23 -8.714 9.162 -5.387 1.00 31.40 C ATOM 201 CG GLN A 23 -9.784 9.946 -6.129 1.00 33.30 C ATOM 202 CD GLN A 23 -9.915 11.371 -5.630 1.00 74.40 C ATOM 203 OE1 GLN A 23 -9.626 12.324 -6.354 1.00 15.10 O ATOM 204 NE2 GLN A 23 -10.353 11.524 -4.386 1.00 72.10 N ATOM 0 H GLN A 23 -6.774 7.670 -5.076 1.00 51.40 H new ATOM 0 HA GLN A 23 -7.245 9.876 -6.786 1.00 45.10 H new ATOM 0 HB2 GLN A 23 -8.830 8.102 -5.613 1.00 31.40 H new ATOM 0 HB3 GLN A 23 -8.869 9.278 -4.314 1.00 31.40 H new ATOM 0 HG2 GLN A 23 -9.548 9.958 -7.193 1.00 33.30 H new ATOM 0 HG3 GLN A 23 -10.742 9.438 -6.021 1.00 33.30 H new ATOM 0 HE21 GLN A 23 -10.581 10.706 -3.821 1.00 72.10 H new ATOM 0 HE22 GLN A 23 -10.462 12.460 -3.995 1.00 72.10 H new ATOM 213 N GLU A 24 -6.664 10.571 -3.604 1.00 44.50 N ATOM 214 CA GLU A 24 -6.277 11.642 -2.693 1.00 32.20 C ATOM 215 C GLU A 24 -4.966 12.285 -3.133 1.00 11.10 C ATOM 216 O GLU A 24 -4.790 13.498 -3.022 1.00 24.00 O ATOM 217 CB GLU A 24 -6.140 11.103 -1.268 1.00 14.30 C ATOM 218 CG GLU A 24 -7.468 10.947 -0.546 1.00 25.30 C ATOM 219 CD GLU A 24 -8.468 10.121 -1.331 1.00 72.30 C ATOM 220 OE1 GLU A 24 -8.950 10.608 -2.376 1.00 3.32 O ATOM 221 OE2 GLU A 24 -8.768 8.987 -0.904 1.00 14.40 O ATOM 0 H GLU A 24 -6.742 9.653 -3.167 1.00 44.50 H new ATOM 0 HA GLU A 24 -7.058 12.402 -2.714 1.00 32.20 H new ATOM 0 HB2 GLU A 24 -5.638 10.136 -1.301 1.00 14.30 H new ATOM 0 HB3 GLU A 24 -5.501 11.774 -0.694 1.00 14.30 H new ATOM 0 HG2 GLU A 24 -7.297 10.478 0.423 1.00 25.30 H new ATOM 0 HG3 GLU A 24 -7.890 11.933 -0.353 1.00 25.30 H new ATOM 228 N ASP A 25 -4.049 11.463 -3.634 1.00 74.20 N ATOM 229 CA ASP A 25 -2.753 11.952 -4.092 1.00 13.40 C ATOM 230 C ASP A 25 -2.923 12.973 -5.212 1.00 44.00 C ATOM 231 O ASP A 25 -2.291 14.030 -5.202 1.00 31.40 O ATOM 232 CB ASP A 25 -1.887 10.787 -4.574 1.00 64.10 C ATOM 233 CG ASP A 25 -0.492 11.230 -4.972 1.00 20.20 C ATOM 234 OD1 ASP A 25 -0.377 12.120 -5.840 1.00 13.20 O ATOM 235 OD2 ASP A 25 0.485 10.686 -4.414 1.00 70.10 O ATOM 0 H ASP A 25 -4.179 10.456 -3.733 1.00 74.20 H new ATOM 0 HA ASP A 25 -2.258 12.440 -3.252 1.00 13.40 H new ATOM 0 HB2 ASP A 25 -1.816 10.039 -3.784 1.00 64.10 H new ATOM 0 HB3 ASP A 25 -2.370 10.307 -5.425 1.00 64.10 H new ATOM 240 N LYS A 26 -3.779 12.650 -6.176 1.00 61.00 N ATOM 241 CA LYS A 26 -4.031 13.541 -7.303 1.00 61.10 C ATOM 242 C LYS A 26 -5.023 14.634 -6.921 1.00 52.40 C ATOM 243 O LYS A 26 -4.961 15.750 -7.436 1.00 44.10 O ATOM 244 CB LYS A 26 -4.565 12.747 -8.497 1.00 72.40 C ATOM 245 CG LYS A 26 -4.805 13.596 -9.734 1.00 3.53 C ATOM 246 CD LYS A 26 -6.003 13.102 -10.526 1.00 31.30 C ATOM 247 CE LYS A 26 -6.066 13.744 -11.902 1.00 44.10 C ATOM 248 NZ LYS A 26 -7.468 14.031 -12.319 1.00 34.40 N ATOM 0 H LYS A 26 -4.309 11.779 -6.200 1.00 61.00 H new ATOM 0 HA LYS A 26 -3.088 14.012 -7.580 1.00 61.10 H new ATOM 0 HB2 LYS A 26 -3.857 11.955 -8.742 1.00 72.40 H new ATOM 0 HB3 LYS A 26 -5.499 12.263 -8.212 1.00 72.40 H new ATOM 0 HG2 LYS A 26 -4.965 14.633 -9.439 1.00 3.53 H new ATOM 0 HG3 LYS A 26 -3.917 13.578 -10.366 1.00 3.53 H new ATOM 0 HD2 LYS A 26 -5.949 12.018 -10.631 1.00 31.30 H new ATOM 0 HD3 LYS A 26 -6.919 13.324 -9.978 1.00 31.30 H new ATOM 0 HE2 LYS A 26 -5.492 14.671 -11.897 1.00 44.10 H new ATOM 0 HE3 LYS A 26 -5.598 13.084 -12.632 1.00 44.10 H new ATOM 0 HZ1 LYS A 26 -7.467 14.468 -13.263 1.00 34.40 H new ATOM 0 HZ2 LYS A 26 -8.010 13.144 -12.349 1.00 34.40 H new ATOM 0 HZ3 LYS A 26 -7.907 14.682 -11.637 1.00 34.40 H new ATOM 262 N ALA A 27 -5.937 14.307 -6.013 1.00 14.20 N ATOM 263 CA ALA A 27 -6.942 15.261 -5.560 1.00 65.10 C ATOM 264 C ALA A 27 -6.291 16.465 -4.887 1.00 3.03 C ATOM 265 O ALA A 27 -6.423 17.596 -5.354 1.00 51.50 O ATOM 266 CB ALA A 27 -7.919 14.587 -4.610 1.00 35.10 C ATOM 0 H ALA A 27 -6.002 13.388 -5.576 1.00 14.20 H new ATOM 0 HA ALA A 27 -7.489 15.617 -6.433 1.00 65.10 H new ATOM 0 HB1 ALA A 27 -8.664 15.311 -4.280 1.00 35.10 H new ATOM 0 HB2 ALA A 27 -8.416 13.764 -5.123 1.00 35.10 H new ATOM 0 HB3 ALA A 27 -7.379 14.202 -3.745 1.00 35.10 H new ATOM 272 N GLY A 28 -5.587 16.214 -3.788 1.00 62.20 N ATOM 273 CA GLY A 28 -4.927 17.287 -3.070 1.00 41.20 C ATOM 274 C GLY A 28 -4.584 16.908 -1.642 1.00 53.40 C ATOM 275 O GLY A 28 -3.631 17.433 -1.065 1.00 22.30 O ATOM 0 H GLY A 28 -5.462 15.286 -3.382 1.00 62.20 H new ATOM 0 HA2 GLY A 28 -4.015 17.565 -3.598 1.00 41.20 H new ATOM 0 HA3 GLY A 28 -5.572 18.166 -3.064 1.00 41.20 H new ATOM 279 N ASN A 29 -5.361 15.994 -1.071 1.00 73.10 N ATOM 280 CA ASN A 29 -5.134 15.546 0.298 1.00 33.20 C ATOM 281 C ASN A 29 -3.988 14.543 0.360 1.00 61.20 C ATOM 282 O ASN A 29 -4.195 13.338 0.217 1.00 14.40 O ATOM 283 CB ASN A 29 -6.407 14.920 0.870 1.00 64.50 C ATOM 284 CG ASN A 29 -7.569 15.894 0.896 1.00 22.30 C ATOM 285 OD1 ASN A 29 -7.501 16.942 1.539 1.00 64.30 O ATOM 286 ND2 ASN A 29 -8.644 15.552 0.196 1.00 21.30 N ATOM 0 H ASN A 29 -6.153 15.549 -1.535 1.00 73.10 H new ATOM 0 HA ASN A 29 -4.864 16.415 0.898 1.00 33.20 H new ATOM 0 HB2 ASN A 29 -6.680 14.049 0.274 1.00 64.50 H new ATOM 0 HB3 ASN A 29 -6.211 14.565 1.882 1.00 64.50 H new ATOM 0 HD21 ASN A 29 -9.457 16.168 0.177 1.00 21.30 H new ATOM 0 HD22 ASN A 29 -8.657 14.674 -0.322 1.00 21.30 H new ATOM 293 N TYR A 30 -2.777 15.046 0.575 1.00 1.14 N ATOM 294 CA TYR A 30 -1.596 14.193 0.657 1.00 31.10 C ATOM 295 C TYR A 30 -1.657 13.300 1.891 1.00 40.30 C ATOM 296 O TYR A 30 -1.506 12.082 1.797 1.00 51.20 O ATOM 297 CB TYR A 30 -0.328 15.045 0.689 1.00 23.40 C ATOM 298 CG TYR A 30 -0.177 15.954 -0.509 1.00 11.20 C ATOM 299 CD1 TYR A 30 -0.469 15.501 -1.790 1.00 3.42 C ATOM 300 CD2 TYR A 30 0.255 17.266 -0.361 1.00 33.50 C ATOM 301 CE1 TYR A 30 -0.333 16.329 -2.888 1.00 34.20 C ATOM 302 CE2 TYR A 30 0.393 18.100 -1.454 1.00 42.30 C ATOM 303 CZ TYR A 30 0.098 17.627 -2.714 1.00 13.10 C ATOM 304 OH TYR A 30 0.233 18.455 -3.805 1.00 40.20 O ATOM 0 H TYR A 30 -2.587 16.041 0.696 1.00 1.14 H new ATOM 0 HA TYR A 30 -1.574 13.557 -0.228 1.00 31.10 H new ATOM 0 HB2 TYR A 30 -0.330 15.650 1.595 1.00 23.40 H new ATOM 0 HB3 TYR A 30 0.540 14.388 0.747 1.00 23.40 H new ATOM 0 HD1 TYR A 30 -0.808 14.485 -1.930 1.00 3.42 H new ATOM 0 HD2 TYR A 30 0.487 17.640 0.625 1.00 33.50 H new ATOM 0 HE1 TYR A 30 -0.563 15.961 -3.877 1.00 34.20 H new ATOM 0 HE2 TYR A 30 0.730 19.117 -1.321 1.00 42.30 H new ATOM 0 HH TYR A 30 0.545 19.336 -3.510 1.00 40.20 H new ATOM 314 N GLU A 31 -1.877 13.914 3.049 1.00 63.30 N ATOM 315 CA GLU A 31 -1.958 13.174 4.304 1.00 62.30 C ATOM 316 C GLU A 31 -3.071 12.132 4.248 1.00 53.30 C ATOM 317 O GLU A 31 -2.977 11.076 4.873 1.00 61.50 O ATOM 318 CB GLU A 31 -2.198 14.135 5.470 1.00 33.20 C ATOM 319 CG GLU A 31 -1.477 13.732 6.746 1.00 30.40 C ATOM 320 CD GLU A 31 -2.220 12.665 7.525 1.00 54.00 C ATOM 321 OE1 GLU A 31 -3.467 12.642 7.458 1.00 72.20 O ATOM 322 OE2 GLU A 31 -1.555 11.851 8.201 1.00 11.10 O ATOM 0 H GLU A 31 -2.002 14.922 3.145 1.00 63.30 H new ATOM 0 HA GLU A 31 -1.010 12.658 4.458 1.00 62.30 H new ATOM 0 HB2 GLU A 31 -1.874 15.134 5.179 1.00 33.20 H new ATOM 0 HB3 GLU A 31 -3.268 14.192 5.669 1.00 33.20 H new ATOM 0 HG2 GLU A 31 -0.481 13.366 6.496 1.00 30.40 H new ATOM 0 HG3 GLU A 31 -1.345 14.611 7.377 1.00 30.40 H new ATOM 329 N GLU A 32 -4.122 12.437 3.495 1.00 71.50 N ATOM 330 CA GLU A 32 -5.253 11.529 3.355 1.00 23.10 C ATOM 331 C GLU A 32 -4.886 10.339 2.475 1.00 32.30 C ATOM 332 O GLU A 32 -5.322 9.213 2.719 1.00 44.20 O ATOM 333 CB GLU A 32 -6.455 12.265 2.762 1.00 63.20 C ATOM 334 CG GLU A 32 -7.709 11.412 2.672 1.00 64.10 C ATOM 335 CD GLU A 32 -8.475 11.362 3.980 1.00 63.20 C ATOM 336 OE1 GLU A 32 -7.868 11.641 5.034 1.00 30.00 O ATOM 337 OE2 GLU A 32 -9.683 11.045 3.949 1.00 10.30 O ATOM 0 H GLU A 32 -4.214 13.308 2.972 1.00 71.50 H new ATOM 0 HA GLU A 32 -5.516 11.159 4.346 1.00 23.10 H new ATOM 0 HB2 GLU A 32 -6.667 13.145 3.370 1.00 63.20 H new ATOM 0 HB3 GLU A 32 -6.196 12.621 1.765 1.00 63.20 H new ATOM 0 HG2 GLU A 32 -8.358 11.807 1.890 1.00 64.10 H new ATOM 0 HG3 GLU A 32 -7.435 10.399 2.377 1.00 64.10 H new ATOM 344 N ALA A 33 -4.081 10.596 1.449 1.00 73.00 N ATOM 345 CA ALA A 33 -3.653 9.548 0.531 1.00 40.30 C ATOM 346 C ALA A 33 -2.650 8.612 1.196 1.00 43.20 C ATOM 347 O ALA A 33 -2.630 7.411 0.923 1.00 5.41 O ATOM 348 CB ALA A 33 -3.053 10.159 -0.727 1.00 34.00 C ATOM 0 H ALA A 33 -3.712 11.522 1.233 1.00 73.00 H new ATOM 0 HA ALA A 33 -4.530 8.962 0.254 1.00 40.30 H new ATOM 0 HB1 ALA A 33 -2.738 9.364 -1.403 1.00 34.00 H new ATOM 0 HB2 ALA A 33 -3.799 10.781 -1.221 1.00 34.00 H new ATOM 0 HB3 ALA A 33 -2.191 10.770 -0.459 1.00 34.00 H new ATOM 354 N LEU A 34 -1.819 9.169 2.071 1.00 30.20 N ATOM 355 CA LEU A 34 -0.813 8.384 2.776 1.00 45.00 C ATOM 356 C LEU A 34 -1.469 7.346 3.681 1.00 2.55 C ATOM 357 O LEU A 34 -1.097 6.171 3.665 1.00 24.10 O ATOM 358 CB LEU A 34 0.090 9.300 3.604 1.00 60.20 C ATOM 359 CG LEU A 34 1.284 9.887 2.849 1.00 12.10 C ATOM 360 CD1 LEU A 34 1.616 11.276 3.370 1.00 60.10 C ATOM 361 CD2 LEU A 34 2.491 8.969 2.970 1.00 70.40 C ATOM 0 H LEU A 34 -1.823 10.161 2.309 1.00 30.20 H new ATOM 0 HA LEU A 34 -0.209 7.863 2.033 1.00 45.00 H new ATOM 0 HB2 LEU A 34 -0.512 10.120 3.996 1.00 60.20 H new ATOM 0 HB3 LEU A 34 0.462 8.739 4.462 1.00 60.20 H new ATOM 0 HG LEU A 34 1.018 9.972 1.795 1.00 12.10 H new ATOM 0 HD11 LEU A 34 2.468 11.677 2.821 1.00 60.10 H new ATOM 0 HD12 LEU A 34 0.756 11.931 3.234 1.00 60.10 H new ATOM 0 HD13 LEU A 34 1.863 11.218 4.430 1.00 60.10 H new ATOM 0 HD21 LEU A 34 3.332 9.401 2.428 1.00 70.40 H new ATOM 0 HD22 LEU A 34 2.757 8.855 4.021 1.00 70.40 H new ATOM 0 HD23 LEU A 34 2.250 7.993 2.548 1.00 70.40 H new ATOM 373 N GLN A 35 -2.446 7.785 4.468 1.00 40.20 N ATOM 374 CA GLN A 35 -3.153 6.893 5.378 1.00 1.45 C ATOM 375 C GLN A 35 -3.842 5.769 4.613 1.00 71.20 C ATOM 376 O GLN A 35 -3.839 4.617 5.046 1.00 51.10 O ATOM 377 CB GLN A 35 -4.183 7.677 6.194 1.00 11.50 C ATOM 378 CG GLN A 35 -3.564 8.657 7.177 1.00 24.10 C ATOM 379 CD GLN A 35 -4.599 9.523 7.866 1.00 13.20 C ATOM 380 OE1 GLN A 35 -5.777 9.504 7.513 1.00 2.10 O ATOM 381 NE2 GLN A 35 -4.161 10.291 8.858 1.00 45.20 N ATOM 0 H GLN A 35 -2.766 8.753 4.493 1.00 40.20 H new ATOM 0 HA GLN A 35 -2.422 6.451 6.055 1.00 1.45 H new ATOM 0 HB2 GLN A 35 -4.835 8.223 5.512 1.00 11.50 H new ATOM 0 HB3 GLN A 35 -4.811 6.974 6.742 1.00 11.50 H new ATOM 0 HG2 GLN A 35 -2.999 8.105 7.928 1.00 24.10 H new ATOM 0 HG3 GLN A 35 -2.854 9.295 6.650 1.00 24.10 H new ATOM 0 HE21 GLN A 35 -3.175 10.275 9.118 1.00 45.20 H new ATOM 0 HE22 GLN A 35 -4.811 10.896 9.360 1.00 45.20 H new ATOM 390 N LEU A 36 -4.433 6.111 3.472 1.00 24.20 N ATOM 391 CA LEU A 36 -5.127 5.130 2.646 1.00 62.20 C ATOM 392 C LEU A 36 -4.132 4.215 1.938 1.00 41.20 C ATOM 393 O LEU A 36 -4.404 3.034 1.724 1.00 52.30 O ATOM 394 CB LEU A 36 -6.012 5.835 1.617 1.00 11.50 C ATOM 395 CG LEU A 36 -7.186 6.622 2.202 1.00 10.00 C ATOM 396 CD1 LEU A 36 -7.622 7.720 1.246 1.00 64.20 C ATOM 397 CD2 LEU A 36 -8.348 5.690 2.513 1.00 4.12 C ATOM 0 H LEU A 36 -4.445 7.060 3.099 1.00 24.20 H new ATOM 0 HA LEU A 36 -5.754 4.520 3.297 1.00 62.20 H new ATOM 0 HB2 LEU A 36 -5.392 6.516 1.034 1.00 11.50 H new ATOM 0 HB3 LEU A 36 -6.403 5.089 0.925 1.00 11.50 H new ATOM 0 HG LEU A 36 -6.860 7.088 3.132 1.00 10.00 H new ATOM 0 HD11 LEU A 36 -8.458 8.269 1.679 1.00 64.20 H new ATOM 0 HD12 LEU A 36 -6.790 8.403 1.073 1.00 64.20 H new ATOM 0 HD13 LEU A 36 -7.931 7.277 0.299 1.00 64.20 H new ATOM 0 HD21 LEU A 36 -9.175 6.266 2.928 1.00 4.12 H new ATOM 0 HD22 LEU A 36 -8.673 5.196 1.597 1.00 4.12 H new ATOM 0 HD23 LEU A 36 -8.029 4.940 3.236 1.00 4.12 H new ATOM 409 N TYR A 37 -2.980 4.771 1.576 1.00 13.10 N ATOM 410 CA TYR A 37 -1.945 4.004 0.892 1.00 73.30 C ATOM 411 C TYR A 37 -1.476 2.834 1.751 1.00 74.30 C ATOM 412 O TYR A 37 -1.496 1.683 1.314 1.00 51.20 O ATOM 413 CB TYR A 37 -0.758 4.906 0.547 1.00 60.30 C ATOM 414 CG TYR A 37 -0.864 5.552 -0.816 1.00 42.20 C ATOM 415 CD1 TYR A 37 -1.215 4.806 -1.934 1.00 50.30 C ATOM 416 CD2 TYR A 37 -0.613 6.909 -0.984 1.00 63.50 C ATOM 417 CE1 TYR A 37 -1.313 5.394 -3.182 1.00 23.00 C ATOM 418 CE2 TYR A 37 -0.710 7.502 -2.228 1.00 34.50 C ATOM 419 CZ TYR A 37 -1.060 6.741 -3.322 1.00 20.20 C ATOM 420 OH TYR A 37 -1.156 7.330 -4.563 1.00 32.10 O ATOM 0 H TYR A 37 -2.740 5.748 1.745 1.00 13.10 H new ATOM 0 HA TYR A 37 -2.371 3.606 -0.029 1.00 73.30 H new ATOM 0 HB2 TYR A 37 -0.673 5.686 1.304 1.00 60.30 H new ATOM 0 HB3 TYR A 37 0.159 4.318 0.591 1.00 60.30 H new ATOM 0 HD1 TYR A 37 -1.415 3.750 -1.827 1.00 50.30 H new ATOM 0 HD2 TYR A 37 -0.338 7.509 -0.129 1.00 63.50 H new ATOM 0 HE1 TYR A 37 -1.586 4.801 -4.042 1.00 23.00 H new ATOM 0 HE2 TYR A 37 -0.512 8.558 -2.342 1.00 34.50 H new ATOM 0 HH TYR A 37 -1.171 6.636 -5.254 1.00 32.10 H new ATOM 430 N GLN A 38 -1.055 3.136 2.974 1.00 31.30 N ATOM 431 CA GLN A 38 -0.583 2.109 3.895 1.00 42.10 C ATOM 432 C GLN A 38 -1.683 1.096 4.192 1.00 61.40 C ATOM 433 O GLN A 38 -1.448 -0.113 4.178 1.00 5.24 O ATOM 434 CB GLN A 38 -0.095 2.747 5.197 1.00 13.30 C ATOM 435 CG GLN A 38 0.997 3.784 4.995 1.00 62.40 C ATOM 436 CD GLN A 38 0.950 4.890 6.031 1.00 64.40 C ATOM 437 OE1 GLN A 38 0.526 4.676 7.167 1.00 40.00 O ATOM 438 NE2 GLN A 38 1.385 6.083 5.643 1.00 34.30 N ATOM 0 H GLN A 38 -1.031 4.084 3.351 1.00 31.30 H new ATOM 0 HA GLN A 38 0.248 1.586 3.421 1.00 42.10 H new ATOM 0 HB2 GLN A 38 -0.940 3.215 5.701 1.00 13.30 H new ATOM 0 HB3 GLN A 38 0.277 1.964 5.858 1.00 13.30 H new ATOM 0 HG2 GLN A 38 1.970 3.294 5.036 1.00 62.40 H new ATOM 0 HG3 GLN A 38 0.900 4.219 4.000 1.00 62.40 H new ATOM 0 HE21 GLN A 38 1.728 6.216 4.692 1.00 34.30 H new ATOM 0 HE22 GLN A 38 1.376 6.866 6.296 1.00 34.30 H new ATOM 447 N HIS A 39 -2.885 1.597 4.462 1.00 5.02 N ATOM 448 CA HIS A 39 -4.021 0.735 4.762 1.00 4.31 C ATOM 449 C HIS A 39 -4.323 -0.196 3.592 1.00 61.30 C ATOM 450 O HIS A 39 -4.663 -1.363 3.786 1.00 44.00 O ATOM 451 CB HIS A 39 -5.255 1.579 5.089 1.00 55.20 C ATOM 452 CG HIS A 39 -5.388 1.905 6.544 1.00 22.10 C ATOM 453 ND1 HIS A 39 -6.279 1.266 7.381 1.00 61.40 N ATOM 454 CD2 HIS A 39 -4.736 2.809 7.313 1.00 52.00 C ATOM 455 CE1 HIS A 39 -6.170 1.764 8.599 1.00 63.50 C ATOM 456 NE2 HIS A 39 -5.241 2.701 8.585 1.00 3.23 N ATOM 0 H HIS A 39 -3.096 2.595 4.479 1.00 5.02 H new ATOM 0 HA HIS A 39 -3.764 0.127 5.629 1.00 4.31 H new ATOM 0 HB2 HIS A 39 -5.212 2.507 4.519 1.00 55.20 H new ATOM 0 HB3 HIS A 39 -6.147 1.046 4.761 1.00 55.20 H new ATOM 0 HD2 HIS A 39 -3.963 3.488 6.986 1.00 52.00 H new ATOM 0 HE1 HIS A 39 -6.744 1.457 9.461 1.00 63.50 H new ATOM 0 HE2 HIS A 39 -4.946 3.255 9.389 1.00 3.23 H new ATOM 465 N ALA A 40 -4.196 0.329 2.377 1.00 12.30 N ATOM 466 CA ALA A 40 -4.455 -0.455 1.176 1.00 24.30 C ATOM 467 C ALA A 40 -3.356 -1.486 0.947 1.00 61.40 C ATOM 468 O ALA A 40 -3.634 -2.662 0.706 1.00 33.40 O ATOM 469 CB ALA A 40 -4.582 0.460 -0.033 1.00 63.40 C ATOM 0 H ALA A 40 -3.915 1.293 2.199 1.00 12.30 H new ATOM 0 HA ALA A 40 -5.395 -0.989 1.315 1.00 24.30 H new ATOM 0 HB1 ALA A 40 -4.775 -0.138 -0.923 1.00 63.40 H new ATOM 0 HB2 ALA A 40 -5.406 1.156 0.122 1.00 63.40 H new ATOM 0 HB3 ALA A 40 -3.655 1.019 -0.165 1.00 63.40 H new ATOM 475 N VAL A 41 -2.107 -1.040 1.023 1.00 10.00 N ATOM 476 CA VAL A 41 -0.965 -1.924 0.824 1.00 62.30 C ATOM 477 C VAL A 41 -0.916 -3.005 1.899 1.00 34.40 C ATOM 478 O VAL A 41 -0.517 -4.139 1.636 1.00 54.20 O ATOM 479 CB VAL A 41 0.362 -1.143 0.837 1.00 64.00 C ATOM 480 CG1 VAL A 41 1.525 -2.054 0.474 1.00 63.50 C ATOM 481 CG2 VAL A 41 0.293 0.047 -0.112 1.00 64.40 C ATOM 0 H VAL A 41 -1.860 -0.070 1.221 1.00 10.00 H new ATOM 0 HA VAL A 41 -1.092 -2.390 -0.153 1.00 62.30 H new ATOM 0 HB VAL A 41 0.527 -0.766 1.846 1.00 64.00 H new ATOM 0 HG11 VAL A 41 2.453 -1.483 0.489 1.00 63.50 H new ATOM 0 HG12 VAL A 41 1.588 -2.868 1.196 1.00 63.50 H new ATOM 0 HG13 VAL A 41 1.368 -2.465 -0.523 1.00 63.50 H new ATOM 0 HG21 VAL A 41 1.240 0.586 -0.089 1.00 64.40 H new ATOM 0 HG22 VAL A 41 0.101 -0.306 -1.125 1.00 64.40 H new ATOM 0 HG23 VAL A 41 -0.512 0.714 0.198 1.00 64.40 H new ATOM 491 N GLN A 42 -1.324 -2.644 3.112 1.00 41.30 N ATOM 492 CA GLN A 42 -1.326 -3.584 4.227 1.00 32.40 C ATOM 493 C GLN A 42 -2.356 -4.687 4.007 1.00 22.20 C ATOM 494 O GLN A 42 -2.121 -5.846 4.348 1.00 44.20 O ATOM 495 CB GLN A 42 -1.620 -2.851 5.538 1.00 12.00 C ATOM 496 CG GLN A 42 -0.399 -2.185 6.149 1.00 52.30 C ATOM 497 CD GLN A 42 -0.344 -2.340 7.657 1.00 52.50 C ATOM 498 OE1 GLN A 42 -1.357 -2.609 8.302 1.00 13.10 O ATOM 499 NE2 GLN A 42 0.843 -2.170 8.226 1.00 54.00 N ATOM 0 H GLN A 42 -1.657 -1.709 3.347 1.00 41.30 H new ATOM 0 HA GLN A 42 -0.338 -4.041 4.287 1.00 32.40 H new ATOM 0 HB2 GLN A 42 -2.384 -2.095 5.358 1.00 12.00 H new ATOM 0 HB3 GLN A 42 -2.035 -3.559 6.255 1.00 12.00 H new ATOM 0 HG2 GLN A 42 0.502 -2.614 5.710 1.00 52.30 H new ATOM 0 HG3 GLN A 42 -0.403 -1.125 5.896 1.00 52.30 H new ATOM 0 HE21 GLN A 42 1.657 -1.948 7.652 1.00 54.00 H new ATOM 0 HE22 GLN A 42 0.942 -2.262 9.237 1.00 54.00 H new ATOM 508 N TYR A 43 -3.498 -4.319 3.435 1.00 62.40 N ATOM 509 CA TYR A 43 -4.563 -5.278 3.169 1.00 62.50 C ATOM 510 C TYR A 43 -4.194 -6.193 2.005 1.00 53.40 C ATOM 511 O TYR A 43 -4.560 -7.369 1.986 1.00 50.10 O ATOM 512 CB TYR A 43 -5.872 -4.548 2.863 1.00 14.30 C ATOM 513 CG TYR A 43 -6.627 -4.114 4.099 1.00 41.10 C ATOM 514 CD1 TYR A 43 -5.963 -3.546 5.178 1.00 33.30 C ATOM 515 CD2 TYR A 43 -8.005 -4.275 4.187 1.00 31.40 C ATOM 516 CE1 TYR A 43 -6.650 -3.149 6.311 1.00 43.10 C ATOM 517 CE2 TYR A 43 -8.698 -3.880 5.316 1.00 54.30 C ATOM 518 CZ TYR A 43 -8.017 -3.318 6.374 1.00 55.10 C ATOM 519 OH TYR A 43 -8.704 -2.925 7.499 1.00 75.50 O ATOM 0 H TYR A 43 -3.709 -3.364 3.147 1.00 62.40 H new ATOM 0 HA TYR A 43 -4.696 -5.890 4.061 1.00 62.50 H new ATOM 0 HB2 TYR A 43 -5.655 -3.671 2.253 1.00 14.30 H new ATOM 0 HB3 TYR A 43 -6.511 -5.200 2.267 1.00 14.30 H new ATOM 0 HD1 TYR A 43 -4.892 -3.412 5.132 1.00 33.30 H new ATOM 0 HD2 TYR A 43 -8.543 -4.716 3.360 1.00 31.40 H new ATOM 0 HE1 TYR A 43 -6.119 -2.709 7.142 1.00 43.10 H new ATOM 0 HE2 TYR A 43 -9.769 -4.011 5.369 1.00 54.30 H new ATOM 0 HH TYR A 43 -9.659 -3.112 7.381 1.00 75.50 H new ATOM 529 N PHE A 44 -3.467 -5.645 1.039 1.00 60.00 N ATOM 530 CA PHE A 44 -3.046 -6.409 -0.130 1.00 33.00 C ATOM 531 C PHE A 44 -2.225 -7.628 0.283 1.00 12.20 C ATOM 532 O PHE A 44 -2.527 -8.755 -0.112 1.00 73.50 O ATOM 533 CB PHE A 44 -2.230 -5.522 -1.072 1.00 10.10 C ATOM 534 CG PHE A 44 -3.019 -5.004 -2.241 1.00 2.12 C ATOM 535 CD1 PHE A 44 -3.801 -5.859 -3.000 1.00 34.10 C ATOM 536 CD2 PHE A 44 -2.978 -3.661 -2.580 1.00 53.10 C ATOM 537 CE1 PHE A 44 -4.528 -5.386 -4.076 1.00 24.10 C ATOM 538 CE2 PHE A 44 -3.702 -3.182 -3.654 1.00 62.10 C ATOM 539 CZ PHE A 44 -4.478 -4.045 -4.403 1.00 52.30 C ATOM 0 H PHE A 44 -3.156 -4.674 1.042 1.00 60.00 H new ATOM 0 HA PHE A 44 -3.938 -6.757 -0.650 1.00 33.00 H new ATOM 0 HB2 PHE A 44 -1.832 -4.677 -0.509 1.00 10.10 H new ATOM 0 HB3 PHE A 44 -1.376 -6.089 -1.443 1.00 10.10 H new ATOM 0 HD1 PHE A 44 -3.843 -6.908 -2.748 1.00 34.10 H new ATOM 0 HD2 PHE A 44 -2.373 -2.981 -1.998 1.00 53.10 H new ATOM 0 HE1 PHE A 44 -5.134 -6.063 -4.660 1.00 24.10 H new ATOM 0 HE2 PHE A 44 -3.661 -2.133 -3.908 1.00 62.10 H new ATOM 0 HZ PHE A 44 -5.045 -3.672 -5.243 1.00 52.30 H new ATOM 549 N LEU A 45 -1.187 -7.394 1.078 1.00 1.45 N ATOM 550 CA LEU A 45 -0.323 -8.472 1.544 1.00 43.20 C ATOM 551 C LEU A 45 -1.073 -9.400 2.495 1.00 54.40 C ATOM 552 O LEU A 45 -0.784 -10.585 2.572 1.00 14.40 O ATOM 553 CB LEU A 45 0.913 -7.899 2.240 1.00 43.50 C ATOM 554 CG LEU A 45 2.202 -8.686 2.022 1.00 41.10 C ATOM 555 CD1 LEU A 45 2.613 -8.640 0.558 1.00 41.10 C ATOM 556 CD2 LEU A 45 3.313 -8.142 2.907 1.00 35.10 C ATOM 0 H LEU A 45 -0.923 -6.467 1.413 1.00 1.45 H new ATOM 0 HA LEU A 45 -0.007 -9.051 0.676 1.00 43.20 H new ATOM 0 HB2 LEU A 45 1.066 -6.878 1.892 1.00 43.50 H new ATOM 0 HB3 LEU A 45 0.715 -7.845 3.311 1.00 43.50 H new ATOM 0 HG LEU A 45 2.023 -9.726 2.295 1.00 41.10 H new ATOM 0 HD11 LEU A 45 3.534 -9.206 0.421 1.00 41.10 H new ATOM 0 HD12 LEU A 45 1.824 -9.076 -0.055 1.00 41.10 H new ATOM 0 HD13 LEU A 45 2.775 -7.605 0.258 1.00 41.10 H new ATOM 0 HD21 LEU A 45 4.225 -8.715 2.739 1.00 35.10 H new ATOM 0 HD22 LEU A 45 3.492 -7.095 2.664 1.00 35.10 H new ATOM 0 HD23 LEU A 45 3.019 -8.226 3.953 1.00 35.10 H new ATOM 568 N HIS A 46 -2.041 -8.844 3.216 1.00 12.40 N ATOM 569 CA HIS A 46 -2.832 -9.622 4.163 1.00 61.20 C ATOM 570 C HIS A 46 -3.556 -10.764 3.457 1.00 5.15 C ATOM 571 O HIS A 46 -3.491 -11.909 3.887 1.00 40.20 O ATOM 572 CB HIS A 46 -3.847 -8.723 4.873 1.00 21.20 C ATOM 573 CG HIS A 46 -4.611 -9.421 5.954 1.00 21.20 C ATOM 574 ND1 HIS A 46 -4.301 -9.304 7.292 1.00 72.40 N ATOM 575 CD2 HIS A 46 -5.681 -10.249 5.889 1.00 62.20 C ATOM 576 CE1 HIS A 46 -5.145 -10.030 8.003 1.00 61.40 C ATOM 577 NE2 HIS A 46 -5.993 -10.613 7.175 1.00 41.30 N ATOM 0 H HIS A 46 -2.297 -7.858 3.163 1.00 12.40 H new ATOM 0 HA HIS A 46 -2.153 -10.046 4.902 1.00 61.20 H new ATOM 0 HB2 HIS A 46 -3.325 -7.868 5.302 1.00 21.20 H new ATOM 0 HB3 HIS A 46 -4.550 -8.331 4.138 1.00 21.20 H new ATOM 0 HD2 HIS A 46 -6.193 -10.564 4.992 1.00 62.20 H new ATOM 0 HE1 HIS A 46 -5.142 -10.130 9.078 1.00 61.40 H new ATOM 0 HE2 HIS A 46 -6.756 -11.233 7.447 1.00 41.30 H new ATOM 586 N VAL A 47 -4.250 -10.438 2.371 1.00 1.14 N ATOM 587 CA VAL A 47 -4.986 -11.438 1.607 1.00 35.30 C ATOM 588 C VAL A 47 -4.042 -12.430 0.952 1.00 64.30 C ATOM 589 O VAL A 47 -4.367 -13.609 0.809 1.00 33.30 O ATOM 590 CB VAL A 47 -5.857 -10.785 0.517 1.00 50.30 C ATOM 591 CG1 VAL A 47 -7.006 -10.010 1.145 1.00 1.15 C ATOM 592 CG2 VAL A 47 -5.014 -9.879 -0.368 1.00 52.20 C ATOM 0 H VAL A 47 -4.318 -9.490 2.001 1.00 1.14 H new ATOM 0 HA VAL A 47 -5.630 -11.962 2.313 1.00 35.30 H new ATOM 0 HB VAL A 47 -6.279 -11.573 -0.107 1.00 50.30 H new ATOM 0 HG11 VAL A 47 -7.610 -9.556 0.360 1.00 1.15 H new ATOM 0 HG12 VAL A 47 -7.625 -10.689 1.732 1.00 1.15 H new ATOM 0 HG13 VAL A 47 -6.607 -9.230 1.793 1.00 1.15 H new ATOM 0 HG21 VAL A 47 -5.646 -9.426 -1.132 1.00 52.20 H new ATOM 0 HG22 VAL A 47 -4.562 -9.095 0.240 1.00 52.20 H new ATOM 0 HG23 VAL A 47 -4.230 -10.465 -0.847 1.00 52.20 H new ATOM 602 N VAL A 48 -2.865 -11.956 0.558 1.00 62.10 N ATOM 603 CA VAL A 48 -1.869 -12.805 -0.081 1.00 35.20 C ATOM 604 C VAL A 48 -1.363 -13.879 0.881 1.00 72.50 C ATOM 605 O VAL A 48 -1.086 -15.010 0.479 1.00 23.20 O ATOM 606 CB VAL A 48 -0.671 -11.981 -0.592 1.00 5.15 C ATOM 607 CG1 VAL A 48 0.288 -12.863 -1.382 1.00 44.30 C ATOM 608 CG2 VAL A 48 -1.147 -10.812 -1.437 1.00 14.50 C ATOM 0 H VAL A 48 -2.578 -10.984 0.671 1.00 62.10 H new ATOM 0 HA VAL A 48 -2.358 -13.283 -0.930 1.00 35.20 H new ATOM 0 HB VAL A 48 -0.136 -11.582 0.270 1.00 5.15 H new ATOM 0 HG11 VAL A 48 1.127 -12.263 -1.734 1.00 44.30 H new ATOM 0 HG12 VAL A 48 0.658 -13.663 -0.741 1.00 44.30 H new ATOM 0 HG13 VAL A 48 -0.234 -13.294 -2.236 1.00 44.30 H new ATOM 0 HG21 VAL A 48 -0.286 -10.243 -1.788 1.00 14.50 H new ATOM 0 HG22 VAL A 48 -1.708 -11.187 -2.293 1.00 14.50 H new ATOM 0 HG23 VAL A 48 -1.789 -10.167 -0.837 1.00 14.50 H new ATOM 618 N LYS A 49 -1.247 -13.511 2.154 1.00 3.03 N ATOM 619 CA LYS A 49 -0.773 -14.443 3.174 1.00 1.21 C ATOM 620 C LYS A 49 -1.821 -15.512 3.465 1.00 74.00 C ATOM 621 O LYS A 49 -1.485 -16.663 3.748 1.00 33.40 O ATOM 622 CB LYS A 49 -0.425 -13.688 4.458 1.00 61.30 C ATOM 623 CG LYS A 49 0.781 -12.772 4.320 1.00 40.10 C ATOM 624 CD LYS A 49 1.032 -11.985 5.594 1.00 33.50 C ATOM 625 CE LYS A 49 0.060 -10.827 5.732 1.00 44.10 C ATOM 626 NZ LYS A 49 0.647 -9.694 6.503 1.00 24.30 N ATOM 0 H LYS A 49 -1.473 -12.580 2.503 1.00 3.03 H new ATOM 0 HA LYS A 49 0.123 -14.935 2.795 1.00 1.21 H new ATOM 0 HB2 LYS A 49 -1.287 -13.096 4.766 1.00 61.30 H new ATOM 0 HB3 LYS A 49 -0.234 -14.409 5.253 1.00 61.30 H new ATOM 0 HG2 LYS A 49 1.663 -13.365 4.078 1.00 40.10 H new ATOM 0 HG3 LYS A 49 0.622 -12.083 3.491 1.00 40.10 H new ATOM 0 HD2 LYS A 49 0.938 -12.646 6.456 1.00 33.50 H new ATOM 0 HD3 LYS A 49 2.054 -11.606 5.594 1.00 33.50 H new ATOM 0 HE2 LYS A 49 -0.232 -10.479 4.741 1.00 44.10 H new ATOM 0 HE3 LYS A 49 -0.847 -11.172 6.229 1.00 44.10 H new ATOM 0 HZ1 LYS A 49 -0.049 -8.925 6.574 1.00 24.30 H new ATOM 0 HZ2 LYS A 49 0.902 -10.019 7.457 1.00 24.30 H new ATOM 0 HZ3 LYS A 49 1.498 -9.347 6.016 1.00 24.30 H new ATOM 640 N TYR A 50 -3.091 -15.123 3.397 1.00 34.30 N ATOM 641 CA TYR A 50 -4.188 -16.050 3.655 1.00 23.00 C ATOM 642 C TYR A 50 -5.015 -16.281 2.393 1.00 70.30 C ATOM 643 O TYR A 50 -6.212 -16.562 2.468 1.00 60.10 O ATOM 644 CB TYR A 50 -5.082 -15.516 4.773 1.00 1.50 C ATOM 645 CG TYR A 50 -4.350 -15.275 6.074 1.00 74.40 C ATOM 646 CD1 TYR A 50 -3.403 -14.265 6.183 1.00 63.20 C ATOM 647 CD2 TYR A 50 -4.608 -16.055 7.192 1.00 71.10 C ATOM 648 CE1 TYR A 50 -2.730 -14.044 7.370 1.00 54.40 C ATOM 649 CE2 TYR A 50 -3.936 -15.846 8.383 1.00 31.20 C ATOM 650 CZ TYR A 50 -3.002 -14.832 8.466 1.00 53.00 C ATOM 651 OH TYR A 50 -2.335 -14.614 9.650 1.00 24.30 O ATOM 0 H TYR A 50 -3.385 -14.174 3.166 1.00 34.30 H new ATOM 0 HA TYR A 50 -3.759 -17.003 3.966 1.00 23.00 H new ATOM 0 HB2 TYR A 50 -5.540 -14.583 4.446 1.00 1.50 H new ATOM 0 HB3 TYR A 50 -5.892 -16.224 4.948 1.00 1.50 H new ATOM 0 HD1 TYR A 50 -3.189 -13.642 5.327 1.00 63.20 H new ATOM 0 HD2 TYR A 50 -5.347 -16.840 7.131 1.00 71.10 H new ATOM 0 HE1 TYR A 50 -1.994 -13.257 7.438 1.00 54.40 H new ATOM 0 HE2 TYR A 50 -4.140 -16.470 9.240 1.00 31.20 H new ATOM 0 HH TYR A 50 -2.645 -15.255 10.323 1.00 24.30 H new ATOM 661 N GLU A 51 -4.368 -16.169 1.237 1.00 54.50 N ATOM 662 CA GLU A 51 -5.047 -16.362 -0.040 1.00 5.32 C ATOM 663 C GLU A 51 -4.074 -16.195 -1.203 1.00 20.30 C ATOM 664 O GLU A 51 -4.011 -15.129 -1.820 1.00 4.41 O ATOM 665 CB GLU A 51 -6.210 -15.381 -0.186 1.00 64.20 C ATOM 666 CG GLU A 51 -7.378 -15.938 -0.968 1.00 23.30 C ATOM 667 CD GLU A 51 -8.529 -16.364 -0.076 1.00 60.10 C ATOM 668 OE1 GLU A 51 -8.266 -16.772 1.075 1.00 3.01 O ATOM 669 OE2 GLU A 51 -9.690 -16.299 -0.528 1.00 10.10 O ATOM 0 H GLU A 51 -3.376 -15.946 1.158 1.00 54.50 H new ATOM 0 HA GLU A 51 -5.441 -17.378 -0.060 1.00 5.32 H new ATOM 0 HB2 GLU A 51 -6.554 -15.089 0.806 1.00 64.20 H new ATOM 0 HB3 GLU A 51 -5.852 -14.477 -0.679 1.00 64.20 H new ATOM 0 HG2 GLU A 51 -7.730 -15.185 -1.674 1.00 23.30 H new ATOM 0 HG3 GLU A 51 -7.043 -16.793 -1.555 1.00 23.30 H new ATOM 676 N ALA A 52 -3.318 -17.250 -1.496 1.00 62.40 N ATOM 677 CA ALA A 52 -2.350 -17.216 -2.586 1.00 71.20 C ATOM 678 C ALA A 52 -2.800 -18.084 -3.748 1.00 2.12 C ATOM 679 O ALA A 52 -2.934 -19.297 -3.609 1.00 51.10 O ATOM 680 CB ALA A 52 -0.985 -17.659 -2.089 1.00 73.40 C ATOM 0 H ALA A 52 -3.358 -18.137 -0.994 1.00 62.40 H new ATOM 0 HA ALA A 52 -2.279 -16.189 -2.945 1.00 71.20 H new ATOM 0 HB1 ALA A 52 -0.271 -17.629 -2.912 1.00 73.40 H new ATOM 0 HB2 ALA A 52 -0.652 -16.990 -1.295 1.00 73.40 H new ATOM 0 HB3 ALA A 52 -1.051 -18.676 -1.702 1.00 73.40 H new ATOM 686 N GLN A 53 -3.032 -17.450 -4.893 1.00 24.50 N ATOM 687 CA GLN A 53 -3.472 -18.169 -6.085 1.00 54.40 C ATOM 688 C GLN A 53 -2.362 -19.073 -6.617 1.00 24.10 C ATOM 689 O GLN A 53 -2.437 -20.303 -6.510 1.00 31.40 O ATOM 690 CB GLN A 53 -3.907 -17.188 -7.172 1.00 2.11 C ATOM 691 CG GLN A 53 -5.313 -16.645 -6.973 1.00 21.40 C ATOM 692 CD GLN A 53 -6.331 -17.333 -7.868 1.00 4.30 C ATOM 693 OE1 GLN A 53 -6.974 -16.699 -8.702 1.00 4.11 O ATOM 694 NE2 GLN A 53 -6.482 -18.643 -7.698 1.00 65.30 N ATOM 0 H GLN A 53 -2.923 -16.444 -5.021 1.00 24.50 H new ATOM 0 HA GLN A 53 -4.323 -18.790 -5.806 1.00 54.40 H new ATOM 0 HB2 GLN A 53 -3.205 -16.355 -7.200 1.00 2.11 H new ATOM 0 HB3 GLN A 53 -3.852 -17.684 -8.141 1.00 2.11 H new ATOM 0 HG2 GLN A 53 -5.605 -16.772 -5.931 1.00 21.40 H new ATOM 0 HG3 GLN A 53 -5.318 -15.574 -7.177 1.00 21.40 H new ATOM 0 HE21 GLN A 53 -5.929 -19.133 -6.995 1.00 65.30 H new ATOM 0 HE22 GLN A 53 -7.151 -19.158 -8.271 1.00 65.30 H new ATOM 703 N GLY A 54 -1.329 -18.462 -7.189 1.00 14.10 N ATOM 704 CA GLY A 54 -0.219 -19.221 -7.728 1.00 33.30 C ATOM 705 C GLY A 54 1.060 -18.423 -7.785 1.00 41.30 C ATOM 706 O GLY A 54 2.057 -18.795 -7.164 1.00 43.50 O ATOM 0 H GLY A 54 -1.242 -17.451 -7.288 1.00 14.10 H new ATOM 0 HA2 GLY A 54 -0.061 -20.109 -7.117 1.00 33.30 H new ATOM 0 HA3 GLY A 54 -0.473 -19.565 -8.731 1.00 33.30 H new ATOM 710 N ASP A 55 1.042 -17.321 -8.523 1.00 43.00 N ATOM 711 CA ASP A 55 2.208 -16.457 -8.656 1.00 25.10 C ATOM 712 C ASP A 55 1.846 -15.141 -9.337 1.00 11.20 C ATOM 713 O ASP A 55 2.295 -14.073 -8.923 1.00 53.50 O ATOM 714 CB ASP A 55 3.303 -17.175 -9.449 1.00 4.34 C ATOM 715 CG ASP A 55 4.263 -17.934 -8.554 1.00 23.10 C ATOM 716 OD1 ASP A 55 4.432 -17.533 -7.384 1.00 44.40 O ATOM 717 OD2 ASP A 55 4.847 -18.932 -9.023 1.00 63.50 O ATOM 0 H ASP A 55 0.225 -17.002 -9.043 1.00 43.00 H new ATOM 0 HA ASP A 55 2.577 -16.229 -7.656 1.00 25.10 H new ATOM 0 HB2 ASP A 55 2.843 -17.868 -10.153 1.00 4.34 H new ATOM 0 HB3 ASP A 55 3.859 -16.445 -10.037 1.00 4.34 H new ATOM 722 N LYS A 56 1.043 -15.232 -10.381 1.00 33.30 N ATOM 723 CA LYS A 56 0.621 -14.045 -11.122 1.00 62.10 C ATOM 724 C LYS A 56 -0.113 -13.063 -10.211 1.00 1.03 C ATOM 725 O LYS A 56 0.142 -11.867 -10.246 1.00 31.00 O ATOM 726 CB LYS A 56 -0.280 -14.442 -12.291 1.00 61.30 C ATOM 727 CG LYS A 56 -0.227 -13.473 -13.463 1.00 72.30 C ATOM 728 CD LYS A 56 -1.261 -13.818 -14.525 1.00 54.20 C ATOM 729 CE LYS A 56 -0.853 -13.295 -15.891 1.00 22.00 C ATOM 730 NZ LYS A 56 -1.624 -13.937 -16.981 1.00 13.10 N ATOM 0 H LYS A 56 0.668 -16.110 -10.739 1.00 33.30 H new ATOM 0 HA LYS A 56 1.514 -13.555 -11.509 1.00 62.10 H new ATOM 0 HB2 LYS A 56 0.007 -15.434 -12.639 1.00 61.30 H new ATOM 0 HB3 LYS A 56 -1.308 -14.514 -11.937 1.00 61.30 H new ATOM 0 HG2 LYS A 56 -0.398 -12.458 -13.104 1.00 72.30 H new ATOM 0 HG3 LYS A 56 0.769 -13.491 -13.905 1.00 72.30 H new ATOM 0 HD2 LYS A 56 -1.389 -14.899 -14.572 1.00 54.20 H new ATOM 0 HD3 LYS A 56 -2.226 -13.395 -14.246 1.00 54.20 H new ATOM 0 HE2 LYS A 56 -1.004 -12.216 -15.926 1.00 22.00 H new ATOM 0 HE3 LYS A 56 0.211 -13.474 -16.045 1.00 22.00 H new ATOM 0 HZ1 LYS A 56 -1.316 -13.553 -17.897 1.00 13.10 H new ATOM 0 HZ2 LYS A 56 -1.461 -14.964 -16.964 1.00 13.10 H new ATOM 0 HZ3 LYS A 56 -2.638 -13.745 -16.849 1.00 13.10 H new ATOM 744 N ALA A 57 -1.029 -13.590 -9.403 1.00 74.40 N ATOM 745 CA ALA A 57 -1.801 -12.758 -8.484 1.00 20.40 C ATOM 746 C ALA A 57 -0.892 -12.053 -7.489 1.00 74.10 C ATOM 747 O ALA A 57 -1.092 -10.887 -7.168 1.00 33.20 O ATOM 748 CB ALA A 57 -2.834 -13.609 -7.755 1.00 24.20 C ATOM 0 H ALA A 57 -1.254 -14.584 -9.366 1.00 74.40 H new ATOM 0 HA ALA A 57 -2.317 -11.993 -9.063 1.00 20.40 H new ATOM 0 HB1 ALA A 57 -3.406 -12.981 -7.071 1.00 24.20 H new ATOM 0 HB2 ALA A 57 -3.509 -14.063 -8.481 1.00 24.20 H new ATOM 0 HB3 ALA A 57 -2.328 -14.392 -7.191 1.00 24.20 H new ATOM 754 N LYS A 58 0.115 -12.778 -7.002 1.00 51.40 N ATOM 755 CA LYS A 58 1.060 -12.223 -6.040 1.00 24.20 C ATOM 756 C LYS A 58 1.964 -11.188 -6.701 1.00 35.40 C ATOM 757 O LYS A 58 2.386 -10.215 -6.066 1.00 74.40 O ATOM 758 CB LYS A 58 1.906 -13.332 -5.422 1.00 70.30 C ATOM 759 CG LYS A 58 1.089 -14.389 -4.694 1.00 31.20 C ATOM 760 CD LYS A 58 1.724 -15.763 -4.810 1.00 54.20 C ATOM 761 CE LYS A 58 1.614 -16.534 -3.507 1.00 63.50 C ATOM 762 NZ LYS A 58 2.869 -16.456 -2.709 1.00 1.34 N ATOM 0 H LYS A 58 0.295 -13.749 -7.259 1.00 51.40 H new ATOM 0 HA LYS A 58 0.488 -11.732 -5.252 1.00 24.20 H new ATOM 0 HB2 LYS A 58 2.489 -13.813 -6.207 1.00 70.30 H new ATOM 0 HB3 LYS A 58 2.616 -12.889 -4.724 1.00 70.30 H new ATOM 0 HG2 LYS A 58 0.996 -14.118 -3.642 1.00 31.20 H new ATOM 0 HG3 LYS A 58 0.080 -14.418 -5.106 1.00 31.20 H new ATOM 0 HD2 LYS A 58 1.239 -16.324 -5.609 1.00 54.20 H new ATOM 0 HD3 LYS A 58 2.773 -15.659 -5.086 1.00 54.20 H new ATOM 0 HE2 LYS A 58 0.785 -16.139 -2.920 1.00 63.50 H new ATOM 0 HE3 LYS A 58 1.384 -17.578 -3.721 1.00 63.50 H new ATOM 0 HZ1 LYS A 58 2.754 -16.995 -1.827 1.00 1.34 H new ATOM 0 HZ2 LYS A 58 3.656 -16.856 -3.259 1.00 1.34 H new ATOM 0 HZ3 LYS A 58 3.075 -15.462 -2.483 1.00 1.34 H new ATOM 776 N GLN A 59 2.255 -11.394 -7.982 1.00 53.00 N ATOM 777 CA GLN A 59 3.107 -10.476 -8.730 1.00 3.55 C ATOM 778 C GLN A 59 2.434 -9.117 -8.903 1.00 1.44 C ATOM 779 O GLN A 59 3.104 -8.089 -8.950 1.00 23.30 O ATOM 780 CB GLN A 59 3.449 -11.070 -10.098 1.00 1.22 C ATOM 781 CG GLN A 59 4.667 -11.974 -10.084 1.00 44.40 C ATOM 782 CD GLN A 59 5.922 -11.276 -10.571 1.00 33.30 C ATOM 783 OE1 GLN A 59 6.516 -11.674 -11.570 1.00 64.40 O ATOM 784 NE2 GLN A 59 6.329 -10.231 -9.862 1.00 53.30 N ATOM 0 H GLN A 59 1.913 -12.188 -8.523 1.00 53.00 H new ATOM 0 HA GLN A 59 4.026 -10.330 -8.163 1.00 3.55 H new ATOM 0 HB2 GLN A 59 2.592 -11.636 -10.463 1.00 1.22 H new ATOM 0 HB3 GLN A 59 3.619 -10.258 -10.805 1.00 1.22 H new ATOM 0 HG2 GLN A 59 4.830 -12.340 -9.070 1.00 44.40 H new ATOM 0 HG3 GLN A 59 4.475 -12.845 -10.711 1.00 44.40 H new ATOM 0 HE21 GLN A 59 5.803 -9.937 -9.039 1.00 53.30 H new ATOM 0 HE22 GLN A 59 7.168 -9.722 -10.140 1.00 53.30 H new ATOM 793 N SER A 60 1.110 -9.131 -8.998 1.00 12.00 N ATOM 794 CA SER A 60 0.349 -7.902 -9.166 1.00 12.20 C ATOM 795 C SER A 60 0.266 -7.127 -7.856 1.00 23.40 C ATOM 796 O SER A 60 0.632 -5.953 -7.793 1.00 1.55 O ATOM 797 CB SER A 60 -1.059 -8.216 -9.676 1.00 13.20 C ATOM 798 OG SER A 60 -1.618 -7.103 -10.351 1.00 51.20 O ATOM 0 H SER A 60 0.543 -9.978 -8.962 1.00 12.00 H new ATOM 0 HA SER A 60 0.866 -7.283 -9.900 1.00 12.20 H new ATOM 0 HB2 SER A 60 -1.022 -9.072 -10.349 1.00 13.20 H new ATOM 0 HB3 SER A 60 -1.698 -8.496 -8.839 1.00 13.20 H new ATOM 0 HG SER A 60 -2.517 -7.331 -10.668 1.00 51.20 H new ATOM 804 N ILE A 61 -0.218 -7.790 -6.810 1.00 23.40 N ATOM 805 CA ILE A 61 -0.349 -7.162 -5.501 1.00 0.44 C ATOM 806 C ILE A 61 1.001 -6.677 -4.985 1.00 72.30 C ATOM 807 O ILE A 61 1.098 -5.609 -4.381 1.00 42.30 O ATOM 808 CB ILE A 61 -0.963 -8.129 -4.470 1.00 30.50 C ATOM 809 CG1 ILE A 61 -0.172 -9.430 -4.427 1.00 51.20 C ATOM 810 CG2 ILE A 61 -2.423 -8.398 -4.802 1.00 51.20 C ATOM 811 CD1 ILE A 61 0.819 -9.502 -3.283 1.00 3.22 C ATOM 0 H ILE A 61 -0.526 -8.762 -6.844 1.00 23.40 H new ATOM 0 HA ILE A 61 -1.015 -6.308 -5.627 1.00 0.44 H new ATOM 0 HB ILE A 61 -0.915 -7.666 -3.484 1.00 30.50 H new ATOM 0 HG12 ILE A 61 -0.868 -10.265 -4.347 1.00 51.20 H new ATOM 0 HG13 ILE A 61 0.364 -9.551 -5.369 1.00 51.20 H new ATOM 0 HG21 ILE A 61 -2.843 -9.083 -4.065 1.00 51.20 H new ATOM 0 HG22 ILE A 61 -2.979 -7.460 -4.785 1.00 51.20 H new ATOM 0 HG23 ILE A 61 -2.494 -8.844 -5.794 1.00 51.20 H new ATOM 0 HD11 ILE A 61 1.345 -10.456 -3.317 1.00 3.22 H new ATOM 0 HD12 ILE A 61 1.538 -8.688 -3.373 1.00 3.22 H new ATOM 0 HD13 ILE A 61 0.288 -9.414 -2.335 1.00 3.22 H new ATOM 823 N ARG A 62 2.041 -7.468 -5.224 1.00 61.30 N ATOM 824 CA ARG A 62 3.386 -7.116 -4.783 1.00 55.30 C ATOM 825 C ARG A 62 3.902 -5.895 -5.534 1.00 13.30 C ATOM 826 O ARG A 62 4.315 -4.907 -4.926 1.00 23.50 O ATOM 827 CB ARG A 62 4.335 -8.290 -4.985 1.00 14.10 C ATOM 828 CG ARG A 62 4.262 -9.326 -3.876 1.00 22.40 C ATOM 829 CD ARG A 62 5.625 -9.930 -3.585 1.00 35.20 C ATOM 830 NE ARG A 62 5.723 -11.315 -4.052 1.00 35.40 N ATOM 831 CZ ARG A 62 6.875 -11.956 -4.249 1.00 31.00 C ATOM 832 NH1 ARG A 62 8.030 -11.343 -4.020 1.00 41.10 N ATOM 833 NH2 ARG A 62 6.872 -13.211 -4.674 1.00 11.20 N ATOM 0 H ARG A 62 1.979 -8.357 -5.720 1.00 61.30 H new ATOM 0 HA ARG A 62 3.341 -6.875 -3.721 1.00 55.30 H new ATOM 0 HB2 ARG A 62 4.108 -8.771 -5.936 1.00 14.10 H new ATOM 0 HB3 ARG A 62 5.356 -7.914 -5.054 1.00 14.10 H new ATOM 0 HG2 ARG A 62 3.867 -8.864 -2.971 1.00 22.40 H new ATOM 0 HG3 ARG A 62 3.566 -10.116 -4.160 1.00 22.40 H new ATOM 0 HD2 ARG A 62 6.398 -9.330 -4.066 1.00 35.20 H new ATOM 0 HD3 ARG A 62 5.816 -9.895 -2.512 1.00 35.20 H new ATOM 0 HE ARG A 62 4.856 -11.820 -4.238 1.00 35.40 H new ATOM 0 HH11 ARG A 62 8.039 -10.377 -3.692 1.00 41.10 H new ATOM 0 HH12 ARG A 62 8.909 -11.838 -4.172 1.00 41.10 H new ATOM 0 HH21 ARG A 62 5.988 -13.687 -4.851 1.00 11.20 H new ATOM 0 HH22 ARG A 62 7.754 -13.701 -4.824 1.00 11.20 H new ATOM 847 N ALA A 63 3.874 -5.966 -6.860 1.00 21.30 N ATOM 848 CA ALA A 63 4.337 -4.865 -7.695 1.00 20.40 C ATOM 849 C ALA A 63 3.529 -3.600 -7.426 1.00 15.10 C ATOM 850 O ALA A 63 4.040 -2.487 -7.544 1.00 21.40 O ATOM 851 CB ALA A 63 4.255 -5.244 -9.166 1.00 42.20 C ATOM 0 H ALA A 63 3.535 -6.775 -7.380 1.00 21.30 H new ATOM 0 HA ALA A 63 5.378 -4.663 -7.444 1.00 20.40 H new ATOM 0 HB1 ALA A 63 4.604 -4.411 -9.776 1.00 42.20 H new ATOM 0 HB2 ALA A 63 4.880 -6.117 -9.352 1.00 42.20 H new ATOM 0 HB3 ALA A 63 3.222 -5.475 -9.425 1.00 42.20 H new ATOM 857 N LYS A 64 2.262 -3.781 -7.063 1.00 42.30 N ATOM 858 CA LYS A 64 1.382 -2.655 -6.775 1.00 25.00 C ATOM 859 C LYS A 64 1.668 -2.083 -5.391 1.00 43.20 C ATOM 860 O LYS A 64 1.581 -0.873 -5.178 1.00 30.10 O ATOM 861 CB LYS A 64 -0.082 -3.089 -6.868 1.00 32.10 C ATOM 862 CG LYS A 64 -0.676 -2.930 -8.258 1.00 40.20 C ATOM 863 CD LYS A 64 -1.677 -4.033 -8.565 1.00 61.50 C ATOM 864 CE LYS A 64 -3.105 -3.570 -8.325 1.00 34.20 C ATOM 865 NZ LYS A 64 -3.587 -2.671 -9.410 1.00 74.00 N ATOM 0 H LYS A 64 1.823 -4.696 -6.962 1.00 42.30 H new ATOM 0 HA LYS A 64 1.571 -1.878 -7.516 1.00 25.00 H new ATOM 0 HB2 LYS A 64 -0.163 -4.133 -6.564 1.00 32.10 H new ATOM 0 HB3 LYS A 64 -0.671 -2.505 -6.161 1.00 32.10 H new ATOM 0 HG2 LYS A 64 -1.166 -1.960 -8.337 1.00 40.20 H new ATOM 0 HG3 LYS A 64 0.122 -2.945 -9.000 1.00 40.20 H new ATOM 0 HD2 LYS A 64 -1.565 -4.349 -9.602 1.00 61.50 H new ATOM 0 HD3 LYS A 64 -1.465 -4.902 -7.942 1.00 61.50 H new ATOM 0 HE2 LYS A 64 -3.761 -4.438 -8.254 1.00 34.20 H new ATOM 0 HE3 LYS A 64 -3.162 -3.049 -7.369 1.00 34.20 H new ATOM 0 HZ1 LYS A 64 -4.342 -2.057 -9.042 1.00 74.00 H new ATOM 0 HZ2 LYS A 64 -2.799 -2.085 -9.751 1.00 74.00 H new ATOM 0 HZ3 LYS A 64 -3.958 -3.243 -10.195 1.00 74.00 H new ATOM 879 N CYS A 65 2.012 -2.960 -4.453 1.00 64.50 N ATOM 880 CA CYS A 65 2.313 -2.542 -3.090 1.00 34.10 C ATOM 881 C CYS A 65 3.644 -1.799 -3.031 1.00 54.20 C ATOM 882 O CYS A 65 3.831 -0.903 -2.207 1.00 40.30 O ATOM 883 CB CYS A 65 2.351 -3.754 -2.158 1.00 75.50 C ATOM 884 SG CYS A 65 0.720 -4.389 -1.707 1.00 40.20 S ATOM 0 H CYS A 65 2.089 -3.964 -4.613 1.00 64.50 H new ATOM 0 HA CYS A 65 1.524 -1.865 -2.762 1.00 34.10 H new ATOM 0 HB2 CYS A 65 2.919 -4.551 -2.638 1.00 75.50 H new ATOM 0 HB3 CYS A 65 2.888 -3.483 -1.249 1.00 75.50 H new ATOM 0 HG CYS A 65 0.266 -5.140 -2.666 1.00 40.20 H new ATOM 890 N THR A 66 4.565 -2.177 -3.912 1.00 61.40 N ATOM 891 CA THR A 66 5.879 -1.546 -3.963 1.00 13.20 C ATOM 892 C THR A 66 5.785 -0.140 -4.547 1.00 11.50 C ATOM 893 O THR A 66 6.434 0.787 -4.065 1.00 42.10 O ATOM 894 CB THR A 66 6.842 -2.397 -4.795 1.00 10.40 C ATOM 895 OG1 THR A 66 6.129 -3.241 -5.681 1.00 40.30 O ATOM 896 CG2 THR A 66 7.744 -3.273 -3.954 1.00 1.42 C ATOM 0 H THR A 66 4.426 -2.917 -4.600 1.00 61.40 H new ATOM 0 HA THR A 66 6.260 -1.470 -2.945 1.00 13.20 H new ATOM 0 HB THR A 66 7.460 -1.684 -5.341 1.00 10.40 H new ATOM 0 HG1 THR A 66 5.797 -4.023 -5.192 1.00 40.30 H new ATOM 0 HG21 THR A 66 8.401 -3.850 -4.605 1.00 1.42 H new ATOM 0 HG22 THR A 66 8.345 -2.648 -3.293 1.00 1.42 H new ATOM 0 HG23 THR A 66 7.137 -3.953 -3.357 1.00 1.42 H new ATOM 904 N GLU A 67 4.972 0.009 -5.588 1.00 5.20 N ATOM 905 CA GLU A 67 4.793 1.302 -6.239 1.00 4.23 C ATOM 906 C GLU A 67 4.075 2.280 -5.314 1.00 72.10 C ATOM 907 O GLU A 67 4.429 3.458 -5.245 1.00 13.40 O ATOM 908 CB GLU A 67 4.003 1.138 -7.538 1.00 42.10 C ATOM 909 CG GLU A 67 3.998 2.385 -8.408 1.00 72.40 C ATOM 910 CD GLU A 67 3.392 2.136 -9.772 1.00 42.30 C ATOM 911 OE1 GLU A 67 2.162 2.276 -9.917 1.00 73.40 O ATOM 912 OE2 GLU A 67 4.154 1.803 -10.705 1.00 72.30 O ATOM 0 H GLU A 67 4.427 -0.749 -5.999 1.00 5.20 H new ATOM 0 HA GLU A 67 5.779 1.704 -6.471 1.00 4.23 H new ATOM 0 HB2 GLU A 67 4.424 0.309 -8.107 1.00 42.10 H new ATOM 0 HB3 GLU A 67 2.975 0.869 -7.297 1.00 42.10 H new ATOM 0 HG2 GLU A 67 3.439 3.174 -7.904 1.00 72.40 H new ATOM 0 HG3 GLU A 67 5.020 2.745 -8.528 1.00 72.40 H new ATOM 919 N TYR A 68 3.066 1.785 -4.605 1.00 71.50 N ATOM 920 CA TYR A 68 2.298 2.617 -3.684 1.00 74.00 C ATOM 921 C TYR A 68 3.102 2.916 -2.424 1.00 41.40 C ATOM 922 O TYR A 68 3.079 4.036 -1.912 1.00 24.30 O ATOM 923 CB TYR A 68 0.986 1.924 -3.313 1.00 24.30 C ATOM 924 CG TYR A 68 -0.017 1.880 -4.443 1.00 54.50 C ATOM 925 CD1 TYR A 68 -0.284 3.011 -5.204 1.00 43.20 C ATOM 926 CD2 TYR A 68 -0.697 0.707 -4.749 1.00 21.30 C ATOM 927 CE1 TYR A 68 -1.201 2.975 -6.239 1.00 52.30 C ATOM 928 CE2 TYR A 68 -1.616 0.664 -5.781 1.00 14.00 C ATOM 929 CZ TYR A 68 -1.863 1.799 -6.523 1.00 23.40 C ATOM 930 OH TYR A 68 -2.776 1.759 -7.551 1.00 31.00 O ATOM 0 H TYR A 68 2.761 0.813 -4.650 1.00 71.50 H new ATOM 0 HA TYR A 68 2.075 3.560 -4.184 1.00 74.00 H new ATOM 0 HB2 TYR A 68 1.202 0.905 -2.990 1.00 24.30 H new ATOM 0 HB3 TYR A 68 0.540 2.440 -2.463 1.00 24.30 H new ATOM 0 HD1 TYR A 68 0.233 3.933 -4.984 1.00 43.20 H new ATOM 0 HD2 TYR A 68 -0.504 -0.185 -4.171 1.00 21.30 H new ATOM 0 HE1 TYR A 68 -1.397 3.863 -6.821 1.00 52.30 H new ATOM 0 HE2 TYR A 68 -2.138 -0.255 -6.005 1.00 14.00 H new ATOM 0 HH TYR A 68 -3.152 0.857 -7.620 1.00 31.00 H new ATOM 940 N LEU A 69 3.813 1.908 -1.928 1.00 54.40 N ATOM 941 CA LEU A 69 4.625 2.065 -0.727 1.00 44.50 C ATOM 942 C LEU A 69 5.724 3.100 -0.944 1.00 23.30 C ATOM 943 O LEU A 69 6.040 3.883 -0.047 1.00 20.20 O ATOM 944 CB LEU A 69 5.244 0.724 -0.326 1.00 62.10 C ATOM 945 CG LEU A 69 4.332 -0.190 0.494 1.00 32.30 C ATOM 946 CD1 LEU A 69 4.795 -1.636 0.391 1.00 71.50 C ATOM 947 CD2 LEU A 69 4.296 0.260 1.946 1.00 73.40 C ATOM 0 H LEU A 69 3.843 0.975 -2.339 1.00 54.40 H new ATOM 0 HA LEU A 69 3.976 2.414 0.077 1.00 44.50 H new ATOM 0 HB2 LEU A 69 5.545 0.195 -1.230 1.00 62.10 H new ATOM 0 HB3 LEU A 69 6.151 0.917 0.247 1.00 62.10 H new ATOM 0 HG LEU A 69 3.322 -0.125 0.090 1.00 32.30 H new ATOM 0 HD11 LEU A 69 4.135 -2.272 0.980 1.00 71.50 H new ATOM 0 HD12 LEU A 69 4.769 -1.953 -0.652 1.00 71.50 H new ATOM 0 HD13 LEU A 69 5.813 -1.720 0.770 1.00 71.50 H new ATOM 0 HD21 LEU A 69 3.643 -0.401 2.516 1.00 73.40 H new ATOM 0 HD22 LEU A 69 5.302 0.223 2.363 1.00 73.40 H new ATOM 0 HD23 LEU A 69 3.917 1.281 2.001 1.00 73.40 H new ATOM 959 N ASP A 70 6.304 3.099 -2.140 1.00 22.50 N ATOM 960 CA ASP A 70 7.368 4.038 -2.474 1.00 71.30 C ATOM 961 C ASP A 70 6.829 5.462 -2.559 1.00 65.40 C ATOM 962 O ASP A 70 7.470 6.408 -2.099 1.00 50.10 O ATOM 963 CB ASP A 70 8.022 3.650 -3.801 1.00 34.20 C ATOM 964 CG ASP A 70 9.134 2.635 -3.621 1.00 12.30 C ATOM 965 OD1 ASP A 70 10.139 2.967 -2.958 1.00 71.10 O ATOM 966 OD2 ASP A 70 9.000 1.508 -4.143 1.00 11.10 O ATOM 0 H ASP A 70 6.055 2.458 -2.894 1.00 22.50 H new ATOM 0 HA ASP A 70 8.116 3.997 -1.682 1.00 71.30 H new ATOM 0 HB2 ASP A 70 7.265 3.241 -4.470 1.00 34.20 H new ATOM 0 HB3 ASP A 70 8.423 4.543 -4.281 1.00 34.20 H new ATOM 971 N ARG A 71 5.648 5.609 -3.149 1.00 31.40 N ATOM 972 CA ARG A 71 5.022 6.918 -3.293 1.00 12.40 C ATOM 973 C ARG A 71 4.778 7.559 -1.931 1.00 60.20 C ATOM 974 O ARG A 71 5.036 8.747 -1.737 1.00 74.10 O ATOM 975 CB ARG A 71 3.701 6.795 -4.056 1.00 53.20 C ATOM 976 CG ARG A 71 3.365 8.018 -4.893 1.00 21.10 C ATOM 977 CD ARG A 71 2.499 7.653 -6.088 1.00 75.10 C ATOM 978 NE ARG A 71 2.443 8.731 -7.074 1.00 43.20 N ATOM 979 CZ ARG A 71 2.061 8.560 -8.338 1.00 12.20 C ATOM 980 NH1 ARG A 71 1.699 7.359 -8.773 1.00 74.30 N ATOM 981 NH2 ARG A 71 2.040 9.593 -9.168 1.00 33.40 N ATOM 0 H ARG A 71 5.105 4.837 -3.536 1.00 31.40 H new ATOM 0 HA ARG A 71 5.702 7.556 -3.858 1.00 12.40 H new ATOM 0 HB2 ARG A 71 3.747 5.922 -4.706 1.00 53.20 H new ATOM 0 HB3 ARG A 71 2.895 6.620 -3.344 1.00 53.20 H new ATOM 0 HG2 ARG A 71 2.846 8.751 -4.276 1.00 21.10 H new ATOM 0 HG3 ARG A 71 4.286 8.488 -5.239 1.00 21.10 H new ATOM 0 HD2 ARG A 71 2.892 6.752 -6.558 1.00 75.10 H new ATOM 0 HD3 ARG A 71 1.490 7.421 -5.747 1.00 75.10 H new ATOM 0 HE ARG A 71 2.712 9.669 -6.776 1.00 43.20 H new ATOM 0 HH11 ARG A 71 1.713 6.561 -8.138 1.00 74.30 H new ATOM 0 HH12 ARG A 71 1.407 7.234 -9.742 1.00 74.30 H new ATOM 0 HH21 ARG A 71 2.316 10.518 -8.838 1.00 33.40 H new ATOM 0 HH22 ARG A 71 1.748 9.463 -10.137 1.00 33.40 H new ATOM 995 N ALA A 72 4.281 6.764 -0.989 1.00 72.30 N ATOM 996 CA ALA A 72 4.003 7.251 0.355 1.00 34.30 C ATOM 997 C ALA A 72 5.271 7.773 1.023 1.00 52.20 C ATOM 998 O ALA A 72 5.252 8.803 1.697 1.00 12.00 O ATOM 999 CB ALA A 72 3.375 6.151 1.197 1.00 41.40 C ATOM 0 H ALA A 72 4.063 5.778 -1.133 1.00 72.30 H new ATOM 0 HA ALA A 72 3.298 8.079 0.276 1.00 34.30 H new ATOM 0 HB1 ALA A 72 3.173 6.530 2.199 1.00 41.40 H new ATOM 0 HB2 ALA A 72 2.441 5.828 0.736 1.00 41.40 H new ATOM 0 HB3 ALA A 72 4.060 5.305 1.260 1.00 41.40 H new ATOM 1005 N GLU A 73 6.373 7.054 0.831 1.00 71.50 N ATOM 1006 CA GLU A 73 7.650 7.444 1.415 1.00 23.00 C ATOM 1007 C GLU A 73 8.079 8.820 0.915 1.00 41.40 C ATOM 1008 O GLU A 73 8.696 9.594 1.648 1.00 10.20 O ATOM 1009 CB GLU A 73 8.725 6.409 1.079 1.00 30.40 C ATOM 1010 CG GLU A 73 8.555 5.093 1.820 1.00 21.20 C ATOM 1011 CD GLU A 73 9.512 4.953 2.987 1.00 74.40 C ATOM 1012 OE1 GLU A 73 9.406 5.750 3.942 1.00 34.20 O ATOM 1013 OE2 GLU A 73 10.370 4.045 2.946 1.00 4.42 O ATOM 0 H GLU A 73 6.406 6.199 0.276 1.00 71.50 H new ATOM 0 HA GLU A 73 7.527 7.492 2.497 1.00 23.00 H new ATOM 0 HB2 GLU A 73 8.710 6.217 0.006 1.00 30.40 H new ATOM 0 HB3 GLU A 73 9.705 6.825 1.315 1.00 30.40 H new ATOM 0 HG2 GLU A 73 7.530 5.015 2.184 1.00 21.20 H new ATOM 0 HG3 GLU A 73 8.711 4.267 1.126 1.00 21.20 H new ATOM 1020 N LYS A 74 7.751 9.119 -0.338 1.00 24.20 N ATOM 1021 CA LYS A 74 8.102 10.401 -0.935 1.00 51.20 C ATOM 1022 C LYS A 74 7.240 11.522 -0.364 1.00 31.00 C ATOM 1023 O LYS A 74 7.716 12.636 -0.146 1.00 51.50 O ATOM 1024 CB LYS A 74 7.939 10.340 -2.456 1.00 53.00 C ATOM 1025 CG LYS A 74 9.191 9.877 -3.183 1.00 51.40 C ATOM 1026 CD LYS A 74 9.333 10.563 -4.524 1.00 71.10 C ATOM 1027 CE LYS A 74 10.766 10.498 -5.027 1.00 71.00 C ATOM 1028 NZ LYS A 74 11.098 9.160 -5.593 1.00 51.10 N ATOM 0 H LYS A 74 7.242 8.490 -0.959 1.00 24.20 H new ATOM 0 HA LYS A 74 9.144 10.612 -0.696 1.00 51.20 H new ATOM 0 HB2 LYS A 74 7.118 9.666 -2.698 1.00 53.00 H new ATOM 0 HB3 LYS A 74 7.660 11.328 -2.823 1.00 53.00 H new ATOM 0 HG2 LYS A 74 10.068 10.086 -2.570 1.00 51.40 H new ATOM 0 HG3 LYS A 74 9.152 8.797 -3.327 1.00 51.40 H new ATOM 0 HD2 LYS A 74 8.669 10.092 -5.248 1.00 71.10 H new ATOM 0 HD3 LYS A 74 9.022 11.604 -4.437 1.00 71.10 H new ATOM 0 HE2 LYS A 74 10.918 11.262 -5.789 1.00 71.00 H new ATOM 0 HE3 LYS A 74 11.449 10.725 -4.208 1.00 71.00 H new ATOM 0 HZ1 LYS A 74 12.084 9.158 -5.924 1.00 51.10 H new ATOM 0 HZ2 LYS A 74 10.978 8.433 -4.859 1.00 51.10 H new ATOM 0 HZ3 LYS A 74 10.464 8.954 -6.391 1.00 51.10 H new ATOM 1042 N LEU A 75 5.968 11.220 -0.124 1.00 74.10 N ATOM 1043 CA LEU A 75 5.038 12.202 0.422 1.00 43.10 C ATOM 1044 C LEU A 75 5.406 12.559 1.858 1.00 24.10 C ATOM 1045 O LEU A 75 5.366 13.727 2.248 1.00 60.10 O ATOM 1046 CB LEU A 75 3.607 11.668 0.366 1.00 72.40 C ATOM 1047 CG LEU A 75 2.855 11.960 -0.933 1.00 24.00 C ATOM 1048 CD1 LEU A 75 3.634 11.438 -2.130 1.00 52.10 C ATOM 1049 CD2 LEU A 75 1.463 11.350 -0.892 1.00 54.30 C ATOM 0 H LEU A 75 5.558 10.303 -0.299 1.00 74.10 H new ATOM 0 HA LEU A 75 5.104 13.105 -0.186 1.00 43.10 H new ATOM 0 HB2 LEU A 75 3.632 10.589 0.518 1.00 72.40 H new ATOM 0 HB3 LEU A 75 3.044 12.094 1.197 1.00 72.40 H new ATOM 0 HG LEU A 75 2.753 13.040 -1.036 1.00 24.00 H new ATOM 0 HD11 LEU A 75 3.083 11.655 -3.045 1.00 52.10 H new ATOM 0 HD12 LEU A 75 4.609 11.924 -2.169 1.00 52.10 H new ATOM 0 HD13 LEU A 75 3.769 10.361 -2.035 1.00 52.10 H new ATOM 0 HD21 LEU A 75 0.943 11.568 -1.825 1.00 54.30 H new ATOM 0 HD22 LEU A 75 1.542 10.270 -0.765 1.00 54.30 H new ATOM 0 HD23 LEU A 75 0.905 11.774 -0.057 1.00 54.30 H new ATOM 1061 N LYS A 76 5.764 11.548 2.641 1.00 71.40 N ATOM 1062 CA LYS A 76 6.139 11.755 4.036 1.00 20.10 C ATOM 1063 C LYS A 76 7.422 12.573 4.137 1.00 42.40 C ATOM 1064 O LYS A 76 7.586 13.377 5.054 1.00 61.10 O ATOM 1065 CB LYS A 76 6.319 10.409 4.742 1.00 31.20 C ATOM 1066 CG LYS A 76 5.768 10.387 6.158 1.00 14.40 C ATOM 1067 CD LYS A 76 6.871 10.557 7.190 1.00 20.10 C ATOM 1068 CE LYS A 76 6.912 11.975 7.736 1.00 2.32 C ATOM 1069 NZ LYS A 76 8.269 12.343 8.227 1.00 44.40 N ATOM 0 H LYS A 76 5.803 10.576 2.334 1.00 71.40 H new ATOM 0 HA LYS A 76 5.338 12.309 4.525 1.00 20.10 H new ATOM 0 HB2 LYS A 76 5.826 9.632 4.157 1.00 31.20 H new ATOM 0 HB3 LYS A 76 7.380 10.162 4.770 1.00 31.20 H new ATOM 0 HG2 LYS A 76 5.033 11.183 6.276 1.00 14.40 H new ATOM 0 HG3 LYS A 76 5.248 9.445 6.332 1.00 14.40 H new ATOM 0 HD2 LYS A 76 6.715 9.855 8.009 1.00 20.10 H new ATOM 0 HD3 LYS A 76 7.833 10.312 6.739 1.00 20.10 H new ATOM 0 HE2 LYS A 76 6.607 12.673 6.956 1.00 2.32 H new ATOM 0 HE3 LYS A 76 6.193 12.071 8.550 1.00 2.32 H new ATOM 0 HZ1 LYS A 76 8.228 13.269 8.698 1.00 44.40 H new ATOM 0 HZ2 LYS A 76 8.600 11.625 8.903 1.00 44.40 H new ATOM 0 HZ3 LYS A 76 8.928 12.392 7.424 1.00 44.40 H new ATOM 1083 N GLU A 77 8.328 12.364 3.187 1.00 43.30 N ATOM 1084 CA GLU A 77 9.596 13.085 3.168 1.00 23.20 C ATOM 1085 C GLU A 77 9.392 14.521 2.699 1.00 65.50 C ATOM 1086 O GLU A 77 9.974 15.455 3.248 1.00 62.20 O ATOM 1087 CB GLU A 77 10.597 12.374 2.256 1.00 53.10 C ATOM 1088 CG GLU A 77 11.409 11.301 2.964 1.00 74.20 C ATOM 1089 CD GLU A 77 10.538 10.268 3.651 1.00 54.40 C ATOM 1090 OE1 GLU A 77 9.746 10.655 4.537 1.00 51.40 O ATOM 1091 OE2 GLU A 77 10.647 9.074 3.304 1.00 72.40 O ATOM 0 H GLU A 77 8.208 11.702 2.421 1.00 43.30 H new ATOM 0 HA GLU A 77 9.993 13.104 4.183 1.00 23.20 H new ATOM 0 HB2 GLU A 77 10.059 11.921 1.423 1.00 53.10 H new ATOM 0 HB3 GLU A 77 11.277 13.112 1.832 1.00 53.10 H new ATOM 0 HG2 GLU A 77 12.055 10.803 2.241 1.00 74.20 H new ATOM 0 HG3 GLU A 77 12.060 11.771 3.702 1.00 74.20 H new ATOM 1098 N TYR A 78 8.558 14.685 1.678 1.00 24.00 N ATOM 1099 CA TYR A 78 8.269 16.004 1.128 1.00 4.44 C ATOM 1100 C TYR A 78 7.317 16.770 2.045 1.00 52.10 C ATOM 1101 O TYR A 78 7.376 17.997 2.131 1.00 62.30 O ATOM 1102 CB TYR A 78 7.676 15.861 -0.282 1.00 34.20 C ATOM 1103 CG TYR A 78 6.657 16.921 -0.644 1.00 51.30 C ATOM 1104 CD1 TYR A 78 5.344 16.824 -0.204 1.00 22.10 C ATOM 1105 CD2 TYR A 78 7.008 18.014 -1.427 1.00 25.10 C ATOM 1106 CE1 TYR A 78 4.407 17.787 -0.532 1.00 64.10 C ATOM 1107 CE2 TYR A 78 6.079 18.981 -1.758 1.00 13.20 C ATOM 1108 CZ TYR A 78 4.781 18.863 -1.309 1.00 31.30 C ATOM 1109 OH TYR A 78 3.853 19.824 -1.638 1.00 3.41 O ATOM 0 H TYR A 78 8.069 13.919 1.214 1.00 24.00 H new ATOM 0 HA TYR A 78 9.197 16.572 1.060 1.00 4.44 H new ATOM 0 HB2 TYR A 78 8.488 15.892 -1.009 1.00 34.20 H new ATOM 0 HB3 TYR A 78 7.208 14.880 -0.368 1.00 34.20 H new ATOM 0 HD1 TYR A 78 5.049 15.982 0.405 1.00 22.10 H new ATOM 0 HD2 TYR A 78 8.023 18.109 -1.782 1.00 25.10 H new ATOM 0 HE1 TYR A 78 3.389 17.697 -0.182 1.00 64.10 H new ATOM 0 HE2 TYR A 78 6.368 19.826 -2.366 1.00 13.20 H new ATOM 0 HH TYR A 78 4.278 20.514 -2.189 1.00 3.41 H new ATOM 1119 N LEU A 79 6.440 16.038 2.725 1.00 33.20 N ATOM 1120 CA LEU A 79 5.476 16.649 3.634 1.00 25.30 C ATOM 1121 C LEU A 79 6.175 17.232 4.857 1.00 72.50 C ATOM 1122 O LEU A 79 5.983 18.400 5.195 1.00 73.30 O ATOM 1123 CB LEU A 79 4.432 15.619 4.070 1.00 73.20 C ATOM 1124 CG LEU A 79 3.294 15.387 3.075 1.00 11.10 C ATOM 1125 CD1 LEU A 79 2.507 14.140 3.445 1.00 53.20 C ATOM 1126 CD2 LEU A 79 2.380 16.602 3.021 1.00 71.10 C ATOM 0 H LEU A 79 6.377 15.022 2.664 1.00 33.20 H new ATOM 0 HA LEU A 79 4.977 17.460 3.104 1.00 25.30 H new ATOM 0 HB2 LEU A 79 4.935 14.669 4.251 1.00 73.20 H new ATOM 0 HB3 LEU A 79 4.004 15.939 5.020 1.00 73.20 H new ATOM 0 HG LEU A 79 3.726 15.237 2.085 1.00 11.10 H new ATOM 0 HD11 LEU A 79 1.702 13.991 2.726 1.00 53.20 H new ATOM 0 HD12 LEU A 79 3.169 13.274 3.432 1.00 53.20 H new ATOM 0 HD13 LEU A 79 2.085 14.259 4.443 1.00 53.20 H new ATOM 0 HD21 LEU A 79 1.575 16.421 2.308 1.00 71.10 H new ATOM 0 HD22 LEU A 79 1.956 16.782 4.009 1.00 71.10 H new ATOM 0 HD23 LEU A 79 2.953 17.475 2.707 1.00 71.10 H new ATOM 1138 N LYS A 80 6.986 16.413 5.517 1.00 20.10 N ATOM 1139 CA LYS A 80 7.712 16.848 6.705 1.00 12.30 C ATOM 1140 C LYS A 80 8.624 18.028 6.383 1.00 65.10 C ATOM 1141 O LYS A 80 8.689 18.998 7.138 1.00 15.00 O ATOM 1142 CB LYS A 80 8.537 15.693 7.276 1.00 31.40 C ATOM 1143 CG LYS A 80 9.488 15.068 6.268 1.00 75.40 C ATOM 1144 CD LYS A 80 10.851 15.741 6.299 1.00 33.40 C ATOM 1145 CE LYS A 80 11.836 14.966 7.161 1.00 44.20 C ATOM 1146 NZ LYS A 80 13.215 15.005 6.600 1.00 1.11 N ATOM 0 H LYS A 80 7.158 15.444 5.250 1.00 20.10 H new ATOM 0 HA LYS A 80 6.983 17.167 7.449 1.00 12.30 H new ATOM 0 HB2 LYS A 80 9.111 16.055 8.129 1.00 31.40 H new ATOM 0 HB3 LYS A 80 7.861 14.924 7.650 1.00 31.40 H new ATOM 0 HG2 LYS A 80 9.600 14.005 6.482 1.00 75.40 H new ATOM 0 HG3 LYS A 80 9.064 15.148 5.267 1.00 75.40 H new ATOM 0 HD2 LYS A 80 11.240 15.823 5.284 1.00 33.40 H new ATOM 0 HD3 LYS A 80 10.748 16.755 6.684 1.00 33.40 H new ATOM 0 HE2 LYS A 80 11.842 15.382 8.169 1.00 44.20 H new ATOM 0 HE3 LYS A 80 11.508 13.930 7.246 1.00 44.20 H new ATOM 0 HZ1 LYS A 80 13.906 14.877 7.367 1.00 1.11 H new ATOM 0 HZ2 LYS A 80 13.328 14.242 5.902 1.00 1.11 H new ATOM 0 HZ3 LYS A 80 13.376 15.923 6.139 1.00 1.11 H new ATOM 1160 N ASN A 81 9.324 17.938 5.257 1.00 63.30 N ATOM 1161 CA ASN A 81 10.231 19.000 4.836 1.00 12.10 C ATOM 1162 C ASN A 81 9.455 20.189 4.278 1.00 53.30 C ATOM 1163 O ASN A 81 9.882 21.336 4.406 1.00 62.10 O ATOM 1164 CB ASN A 81 11.209 18.476 3.782 1.00 71.30 C ATOM 1165 CG ASN A 81 12.422 17.809 4.400 1.00 23.40 C ATOM 1166 OD1 ASN A 81 12.846 18.163 5.500 1.00 32.40 O ATOM 1167 ND2 ASN A 81 12.988 16.838 3.694 1.00 40.20 N ATOM 0 H ASN A 81 9.281 17.142 4.620 1.00 63.30 H new ATOM 0 HA ASN A 81 10.792 19.332 5.710 1.00 12.10 H new ATOM 0 HB2 ASN A 81 10.696 17.764 3.136 1.00 71.30 H new ATOM 0 HB3 ASN A 81 11.535 19.302 3.150 1.00 71.30 H new ATOM 0 HD21 ASN A 81 13.808 16.353 4.059 1.00 40.20 H new ATOM 0 HD22 ASN A 81 12.603 16.577 2.786 1.00 40.20 H new ATOM 1175 N ASP B 116 8.588 -10.744 -1.187 1.00 34.50 N ATOM 1176 CA ASP B 116 7.445 -10.634 -0.288 1.00 24.30 C ATOM 1177 C ASP B 116 7.860 -10.033 1.052 1.00 70.20 C ATOM 1178 O ASP B 116 7.079 -9.357 1.711 1.00 24.30 O ATOM 1179 CB ASP B 116 6.807 -12.008 -0.072 1.00 1.22 C ATOM 1180 CG ASP B 116 5.563 -11.936 0.795 1.00 51.40 C ATOM 1181 OD1 ASP B 116 5.703 -11.703 2.013 1.00 74.30 O ATOM 1182 OD2 ASP B 116 4.452 -12.116 0.254 1.00 11.20 O ATOM 0 HA ASP B 116 6.714 -9.970 -0.749 1.00 24.30 H new ATOM 0 HB2 ASP B 116 6.549 -12.442 -1.038 1.00 1.22 H new ATOM 0 HB3 ASP B 116 7.533 -12.674 0.393 1.00 1.22 H new ATOM 1187 N GLU B 117 9.102 -10.294 1.450 1.00 41.20 N ATOM 1188 CA GLU B 117 9.627 -9.787 2.711 1.00 73.40 C ATOM 1189 C GLU B 117 9.916 -8.288 2.612 1.00 21.00 C ATOM 1190 O GLU B 117 9.776 -7.552 3.588 1.00 12.00 O ATOM 1191 CB GLU B 117 10.897 -10.544 3.106 1.00 21.30 C ATOM 1192 CG GLU B 117 10.667 -12.021 3.372 1.00 53.50 C ATOM 1193 CD GLU B 117 11.913 -12.851 3.148 1.00 52.50 C ATOM 1194 OE1 GLU B 117 12.990 -12.445 3.631 1.00 74.10 O ATOM 1195 OE2 GLU B 117 11.809 -13.905 2.491 1.00 72.00 O ATOM 0 H GLU B 117 9.764 -10.855 0.915 1.00 41.20 H new ATOM 0 HA GLU B 117 8.872 -9.944 3.481 1.00 73.40 H new ATOM 0 HB2 GLU B 117 11.635 -10.437 2.311 1.00 21.30 H new ATOM 0 HB3 GLU B 117 11.321 -10.084 3.999 1.00 21.30 H new ATOM 0 HG2 GLU B 117 10.326 -12.153 4.399 1.00 53.50 H new ATOM 0 HG3 GLU B 117 9.871 -12.384 2.722 1.00 53.50 H new ATOM 1202 N GLU B 118 10.326 -7.847 1.427 1.00 22.10 N ATOM 1203 CA GLU B 118 10.642 -6.450 1.200 1.00 61.00 C ATOM 1204 C GLU B 118 9.376 -5.590 1.250 1.00 1.11 C ATOM 1205 O GLU B 118 9.324 -4.593 1.961 1.00 70.30 O ATOM 1206 CB GLU B 118 11.335 -6.266 -0.151 1.00 23.10 C ATOM 1207 CG GLU B 118 12.790 -6.702 -0.149 1.00 4.45 C ATOM 1208 CD GLU B 118 12.946 -8.213 -0.170 1.00 13.20 C ATOM 1209 OE1 GLU B 118 12.669 -8.850 0.867 1.00 1.45 O ATOM 1210 OE2 GLU B 118 13.340 -8.752 -1.224 1.00 55.10 O ATOM 0 H GLU B 118 10.446 -8.444 0.609 1.00 22.10 H new ATOM 0 HA GLU B 118 11.318 -6.129 1.993 1.00 61.00 H new ATOM 0 HB2 GLU B 118 10.795 -6.834 -0.908 1.00 23.10 H new ATOM 0 HB3 GLU B 118 11.279 -5.216 -0.440 1.00 23.10 H new ATOM 0 HG2 GLU B 118 13.294 -6.276 -1.016 1.00 4.45 H new ATOM 0 HG3 GLU B 118 13.284 -6.301 0.736 1.00 4.45 H new ATOM 1217 N ILE B 119 8.361 -5.995 0.494 1.00 51.40 N ATOM 1218 CA ILE B 119 7.102 -5.275 0.454 1.00 20.00 C ATOM 1219 C ILE B 119 6.429 -5.272 1.824 1.00 24.30 C ATOM 1220 O ILE B 119 5.770 -4.303 2.200 1.00 51.10 O ATOM 1221 CB ILE B 119 6.135 -5.882 -0.582 1.00 11.20 C ATOM 1222 CG1 ILE B 119 6.815 -5.980 -1.949 1.00 53.10 C ATOM 1223 CG2 ILE B 119 4.864 -5.050 -0.678 1.00 70.00 C ATOM 1224 CD1 ILE B 119 5.914 -6.529 -3.034 1.00 62.40 C ATOM 0 H ILE B 119 8.391 -6.823 -0.101 1.00 51.40 H new ATOM 0 HA ILE B 119 7.333 -4.251 0.162 1.00 20.00 H new ATOM 0 HB ILE B 119 5.864 -6.886 -0.256 1.00 11.20 H new ATOM 0 HG12 ILE B 119 7.164 -4.990 -2.244 1.00 53.10 H new ATOM 0 HG13 ILE B 119 7.696 -6.616 -1.863 1.00 53.10 H new ATOM 0 HG21 ILE B 119 4.193 -5.494 -1.414 1.00 70.00 H new ATOM 0 HG22 ILE B 119 4.371 -5.025 0.294 1.00 70.00 H new ATOM 0 HG23 ILE B 119 5.116 -4.034 -0.983 1.00 70.00 H new ATOM 0 HD11 ILE B 119 6.462 -6.570 -3.975 1.00 62.40 H new ATOM 0 HD12 ILE B 119 5.585 -7.532 -2.761 1.00 62.40 H new ATOM 0 HD13 ILE B 119 5.045 -5.881 -3.148 1.00 62.40 H new ATOM 1236 N GLU B 120 6.600 -6.359 2.564 1.00 71.30 N ATOM 1237 CA GLU B 120 6.010 -6.483 3.892 1.00 23.10 C ATOM 1238 C GLU B 120 6.686 -5.537 4.877 1.00 14.10 C ATOM 1239 O GLU B 120 6.040 -4.997 5.776 1.00 54.10 O ATOM 1240 CB GLU B 120 6.124 -7.922 4.393 1.00 41.10 C ATOM 1241 CG GLU B 120 5.159 -8.253 5.519 1.00 32.40 C ATOM 1242 CD GLU B 120 5.796 -9.116 6.597 1.00 63.50 C ATOM 1243 OE1 GLU B 120 6.445 -10.124 6.247 1.00 55.30 O ATOM 1244 OE2 GLU B 120 5.644 -8.779 7.790 1.00 61.10 O ATOM 0 H GLU B 120 7.143 -7.170 2.267 1.00 71.30 H new ATOM 0 HA GLU B 120 4.956 -6.214 3.819 1.00 23.10 H new ATOM 0 HB2 GLU B 120 5.945 -8.603 3.561 1.00 41.10 H new ATOM 0 HB3 GLU B 120 7.143 -8.099 4.736 1.00 41.10 H new ATOM 0 HG2 GLU B 120 4.796 -7.327 5.966 1.00 32.40 H new ATOM 0 HG3 GLU B 120 4.291 -8.770 5.109 1.00 32.40 H new ATOM 1251 N ARG B 121 7.988 -5.338 4.705 1.00 2.51 N ATOM 1252 CA ARG B 121 8.752 -4.459 5.580 1.00 35.00 C ATOM 1253 C ARG B 121 8.370 -3.000 5.348 1.00 3.22 C ATOM 1254 O ARG B 121 8.263 -2.219 6.293 1.00 71.50 O ATOM 1255 CB ARG B 121 10.252 -4.649 5.348 1.00 50.30 C ATOM 1256 CG ARG B 121 10.826 -5.852 6.061 1.00 35.30 C ATOM 1257 CD ARG B 121 12.347 -5.835 6.055 1.00 32.40 C ATOM 1258 NE ARG B 121 12.911 -6.543 7.204 1.00 54.50 N ATOM 1259 CZ ARG B 121 12.858 -7.861 7.361 1.00 25.30 C ATOM 1260 NH1 ARG B 121 12.269 -8.622 6.447 1.00 20.40 N ATOM 1261 NH2 ARG B 121 13.393 -8.419 8.436 1.00 44.20 N ATOM 0 H ARG B 121 8.537 -5.775 3.965 1.00 2.51 H new ATOM 0 HA ARG B 121 8.517 -4.720 6.612 1.00 35.00 H new ATOM 0 HB2 ARG B 121 10.436 -4.749 4.278 1.00 50.30 H new ATOM 0 HB3 ARG B 121 10.779 -3.754 5.680 1.00 50.30 H new ATOM 0 HG2 ARG B 121 10.466 -5.872 7.090 1.00 35.30 H new ATOM 0 HG3 ARG B 121 10.470 -6.764 5.581 1.00 35.30 H new ATOM 0 HD2 ARG B 121 12.710 -6.292 5.135 1.00 32.40 H new ATOM 0 HD3 ARG B 121 12.697 -4.803 6.058 1.00 32.40 H new ATOM 0 HE ARG B 121 13.372 -5.992 7.928 1.00 54.50 H new ATOM 0 HH11 ARG B 121 11.854 -8.195 5.619 1.00 20.40 H new ATOM 0 HH12 ARG B 121 12.231 -9.634 6.573 1.00 20.40 H new ATOM 0 HH21 ARG B 121 13.845 -7.837 9.141 1.00 44.20 H new ATOM 0 HH22 ARG B 121 13.353 -9.431 8.559 1.00 44.20 H new ATOM 1275 N GLN B 122 8.166 -2.640 4.085 1.00 1.22 N ATOM 1276 CA GLN B 122 7.797 -1.275 3.729 1.00 41.10 C ATOM 1277 C GLN B 122 6.483 -0.876 4.393 1.00 11.00 C ATOM 1278 O GLN B 122 6.406 0.142 5.079 1.00 73.20 O ATOM 1279 CB GLN B 122 7.678 -1.135 2.211 1.00 51.10 C ATOM 1280 CG GLN B 122 8.922 -1.580 1.460 1.00 51.00 C ATOM 1281 CD GLN B 122 9.233 -0.694 0.270 1.00 33.30 C ATOM 1282 OE1 GLN B 122 10.211 0.054 0.277 1.00 2.42 O ATOM 1283 NE2 GLN B 122 8.399 -0.772 -0.761 1.00 42.50 N ATOM 0 H GLN B 122 8.250 -3.275 3.291 1.00 1.22 H new ATOM 0 HA GLN B 122 8.582 -0.608 4.087 1.00 41.10 H new ATOM 0 HB2 GLN B 122 6.826 -1.721 1.866 1.00 51.10 H new ATOM 0 HB3 GLN B 122 7.469 -0.094 1.966 1.00 51.10 H new ATOM 0 HG2 GLN B 122 9.773 -1.579 2.141 1.00 51.00 H new ATOM 0 HG3 GLN B 122 8.788 -2.607 1.119 1.00 51.00 H new ATOM 0 HE21 GLN B 122 7.601 -1.406 -0.724 1.00 42.50 H new ATOM 0 HE22 GLN B 122 8.557 -0.198 -1.589 1.00 42.50 H new ATOM 1292 N LEU B 123 5.450 -1.687 4.181 1.00 24.20 N ATOM 1293 CA LEU B 123 4.138 -1.419 4.759 1.00 11.40 C ATOM 1294 C LEU B 123 4.189 -1.491 6.282 1.00 71.20 C ATOM 1295 O LEU B 123 3.451 -0.788 6.972 1.00 52.20 O ATOM 1296 CB LEU B 123 3.109 -2.415 4.223 1.00 10.40 C ATOM 1297 CG LEU B 123 3.469 -3.889 4.422 1.00 32.20 C ATOM 1298 CD1 LEU B 123 2.936 -4.393 5.755 1.00 60.50 C ATOM 1299 CD2 LEU B 123 2.925 -4.729 3.277 1.00 4.41 C ATOM 0 H LEU B 123 5.497 -2.534 3.614 1.00 24.20 H new ATOM 0 HA LEU B 123 3.841 -0.410 4.472 1.00 11.40 H new ATOM 0 HB2 LEU B 123 2.152 -2.222 4.708 1.00 10.40 H new ATOM 0 HB3 LEU B 123 2.969 -2.232 3.158 1.00 10.40 H new ATOM 0 HG LEU B 123 4.555 -3.981 4.430 1.00 32.20 H new ATOM 0 HD11 LEU B 123 3.201 -5.443 5.879 1.00 60.50 H new ATOM 0 HD12 LEU B 123 3.373 -3.810 6.566 1.00 60.50 H new ATOM 0 HD13 LEU B 123 1.851 -4.288 5.776 1.00 60.50 H new ATOM 0 HD21 LEU B 123 3.190 -5.774 3.435 1.00 4.41 H new ATOM 0 HD22 LEU B 123 1.840 -4.632 3.238 1.00 4.41 H new ATOM 0 HD23 LEU B 123 3.354 -4.384 2.336 1.00 4.41 H new ATOM 1311 N LYS B 124 5.064 -2.348 6.799 1.00 71.20 N ATOM 1312 CA LYS B 124 5.211 -2.513 8.241 1.00 33.10 C ATOM 1313 C LYS B 124 5.994 -1.351 8.845 1.00 52.00 C ATOM 1314 O LYS B 124 5.765 -0.965 9.991 1.00 61.10 O ATOM 1315 CB LYS B 124 5.914 -3.835 8.556 1.00 44.20 C ATOM 1316 CG LYS B 124 5.784 -4.262 10.008 1.00 23.30 C ATOM 1317 CD LYS B 124 6.387 -5.638 10.240 1.00 25.20 C ATOM 1318 CE LYS B 124 5.585 -6.429 11.259 1.00 55.50 C ATOM 1319 NZ LYS B 124 4.630 -7.369 10.607 1.00 24.10 N ATOM 0 H LYS B 124 5.681 -2.938 6.242 1.00 71.20 H new ATOM 0 HA LYS B 124 4.215 -2.525 8.683 1.00 33.10 H new ATOM 0 HB2 LYS B 124 5.502 -4.617 7.918 1.00 44.20 H new ATOM 0 HB3 LYS B 124 6.971 -3.743 8.306 1.00 44.20 H new ATOM 0 HG2 LYS B 124 6.281 -3.533 10.649 1.00 23.30 H new ATOM 0 HG3 LYS B 124 4.732 -4.272 10.293 1.00 23.30 H new ATOM 0 HD2 LYS B 124 6.422 -6.185 9.298 1.00 25.20 H new ATOM 0 HD3 LYS B 124 7.415 -5.533 10.586 1.00 25.20 H new ATOM 0 HE2 LYS B 124 6.265 -6.990 11.900 1.00 55.50 H new ATOM 0 HE3 LYS B 124 5.035 -5.741 11.902 1.00 55.50 H new ATOM 0 HZ1 LYS B 124 4.343 -8.100 11.288 1.00 24.10 H new ATOM 0 HZ2 LYS B 124 3.790 -6.845 10.288 1.00 24.10 H new ATOM 0 HZ3 LYS B 124 5.089 -7.819 9.789 1.00 24.10 H new ATOM 1333 N ALA B 125 6.917 -0.798 8.066 1.00 44.30 N ATOM 1334 CA ALA B 125 7.734 0.320 8.523 1.00 22.10 C ATOM 1335 C ALA B 125 6.925 1.612 8.555 1.00 42.20 C ATOM 1336 O ALA B 125 7.011 2.387 9.507 1.00 20.20 O ATOM 1337 CB ALA B 125 8.955 0.481 7.631 1.00 32.30 C ATOM 0 H ALA B 125 7.118 -1.106 7.115 1.00 44.30 H new ATOM 0 HA ALA B 125 8.067 0.105 9.538 1.00 22.10 H new ATOM 0 HB1 ALA B 125 9.556 1.319 7.984 1.00 32.30 H new ATOM 0 HB2 ALA B 125 9.551 -0.431 7.662 1.00 32.30 H new ATOM 0 HB3 ALA B 125 8.635 0.670 6.606 1.00 32.30 H new ATOM 1343 N LEU B 126 6.141 1.840 7.506 1.00 32.10 N ATOM 1344 CA LEU B 126 5.318 3.039 7.414 1.00 40.20 C ATOM 1345 C LEU B 126 4.235 3.040 8.487 1.00 11.00 C ATOM 1346 O LEU B 126 3.826 4.096 8.970 1.00 33.50 O ATOM 1347 CB LEU B 126 4.678 3.139 6.027 1.00 52.10 C ATOM 1348 CG LEU B 126 5.626 3.566 4.906 1.00 20.30 C ATOM 1349 CD1 LEU B 126 5.117 3.073 3.560 1.00 0.31 C ATOM 1350 CD2 LEU B 126 5.788 5.079 4.895 1.00 73.40 C ATOM 0 H LEU B 126 6.059 1.210 6.708 1.00 32.10 H new ATOM 0 HA LEU B 126 5.962 3.904 7.573 1.00 40.20 H new ATOM 0 HB2 LEU B 126 4.250 2.170 5.771 1.00 52.10 H new ATOM 0 HB3 LEU B 126 3.853 3.850 6.075 1.00 52.10 H new ATOM 0 HG LEU B 126 6.602 3.116 5.089 1.00 20.30 H new ATOM 0 HD11 LEU B 126 5.804 3.386 2.774 1.00 0.31 H new ATOM 0 HD12 LEU B 126 5.051 1.985 3.572 1.00 0.31 H new ATOM 0 HD13 LEU B 126 4.130 3.494 3.368 1.00 0.31 H new ATOM 0 HD21 LEU B 126 6.466 5.367 4.091 1.00 73.40 H new ATOM 0 HD22 LEU B 126 4.817 5.548 4.736 1.00 73.40 H new ATOM 0 HD23 LEU B 126 6.197 5.408 5.850 1.00 73.40 H new